Output
stringlengths 5
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stringlengths 850
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CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)/C1=C/c1cscc1C#N
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ir: 4 6 3 9 6 3 4 3 5 4 6 5 3 5 9 2 2 4 3 5 2 3 2 3 13 3 5 12 4 8 5 8 11 3 2 4 8 3 13 4 3 45 11 8 3 3 2 2 2 4 3 3 2 3 2 2 3 4 12 33 5 4 2 2 5 2 8 2 4 4 2 2 2 2 1 2 4 3 3 2 3 6 2 2 2 3 2 1 2 8 4 3 2 2 1 2 3 6 8 4 10 10 2 2 3 5 3 2 2 3 11 4 2 2 2 2 2 20 8 9 10 23 4 5 11 15 12 5 2 3 3 4 9 4 6 21 10 16 6 21 2 5 9 73 9 11 100 8 3 0 1 7 3 1 3 2 2 1 1 3 2 1 1 9 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 2 3 2 2 2 2 3 4 15 20 22 8 25 20 23 8 4 6 5 4 4 3 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 75 75 d 1H J 18 | 74 74 d 1H J 16 | 73 73 m 2H | 73 72 ddt 1H J 14 66 79 | 72 71 dq 2H J 9 68 | 70 69 s 1H | 34 33 dt 1H J 8 127 | 33 33 s 3H | 31 30 dt 1H J 8 126 | 30 30 s 3H | 14 14 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C1CCC=CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)C(=O)NC[C@@H](c2ccccc2)O1
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ir: 1 1 2 1 9 4 5 4 1 5 5 9 3 6 3 5 5 5 9 17 5 3 1 3 4 3 8 2 6 17 20 30 11 22 27 24 25 16 4 2 11 33 15 6 11 7 11 1 7 5 3 11 3 7 4 2 2 4 2 4 3 3 2 2 5 2 2 5 7 5 8 12 3 4 3 2 1 2 2 1 1 1 1 0 1 1 7 1 4 8 4 7 2 4 3 3 4 6 4 5 7 14 8 2 2 2 3 5 4 6 6 10 8 13 5 4 4 5 2 4 7 6 21 8 15 9 7 12 6 9 1 8 3 5 4 11 14 1 12 4 6 4 5 17 25 34 16 44 7 4 3 9 58 21 4 1 0 2 1 1 2 18 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 3 3 3 4 2 5 4 4 7 7 14 22 32 100 15 8 5 4 1 0 1 2 1 1 1 1 0 1 1 1 1 0 1 1 1 2 6 12 8 5 8 2 2 1 2 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 73 72 m 2H | 72 71 t 1H J 64 | 70 69 m 2H | 69 68 tt 1H J 13 77 | 56 55 m 2H | 55 54 dtq 1H J 16 68 100 | 40 39 ddd 1H J 46 64 139 | 38 37 ddd 1H J 46 64 139 | 36 36 m 4H | 33 33 m 4H | 31 30 pd 1H J 18 78 | 26 26 dd 1H J 77 159 | 25 23 m 6H | 22 21 m 1H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(C)OC(=O)NCC(N)c1ccc(F)c(F)c1
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ir: 5 3 8 4 2 1 1 1 2 2 4 3 1 1 1 1 2 2 1 1 4 4 3 2 3 4 5 7 13 14 9 11 10 8 6 6 8 4 5 3 3 2 1 1 1 1 1 2 3 3 2 1 5 6 17 0 1 8 8 16 12 9 5 3 2 6 6 8 32 14 12 14 16 2 1 2 4 1 2 5 2 8 4 1 1 2 7 2 2 1 0 0 1 1 1 1 5 4 4 5 3 1 1 1 1 1 2 3 2 4 4 1 1 1 2 2 5 5 3 7 3 10 13 4 4 4 6 11 11 15 11 18 8 69 13 7 4 1 0 3 5 4 3 8 11 17 12 9 8 34 19 2 2 3 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 2 1 1 1 1 2 1 1 2 6 15 10 7 21 6 5 2 0 1 1 1 1 1 2 2 7 7 16 36 9 8 9 9 5 6 70 100 13 23 28 8 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 71 71 m 1H | 56 55 t 1H J 59 | 45 45 m 1H | 37 37 ddd 1H J 35 60 145 | 35 34 ddd 1H J 35 60 145 | 29 28 d 2H J 59 | 14 14 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CN(C)CCOC(=O)CCC(=O)O
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ir: 6 3 3 6 4 5 7 5 6 10 8 17 11 6 12 5 8 6 22 79 69 30 100 45 17 5 12 7 3 1 0 3 2 1 1 2 2 1 2 4 5 3 3 3 2 1 2 3 4 1 2 3 2 1 3 5 5 3 3 2 1 1 2 7 7 4 4 5 2 2 4 3 2 2 5 9 10 8 22 6 10 7 6 10 8 4 15 19 4 3 8 10 9 7 5 5 5 4 7 5 5 8 5 3 1 1 1 2 1 2 4 3 5 12 10 18 5 16 9 12 14 16 11 4 5 3 3 2 1 3 5 4 1 4 4 3 1 3 4 1 6 17 40 28 23 29 15 6 2 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 5 2 5 5 3 3 2 3 4 5 22 8 12 5 2 2 1 1 1 1 0 1 1 8 10 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 43 43 t 2H J 68 | 33 32 t 2H J 67 | 27 26 m 4H | 25 24 s 5H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cc(-c2nnn[nH]2)cc2c(=O)c3cccnc3oc12
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ir: 4 1 0 5 11 4 0 2 2 2 1 2 3 1 0 2 3 1 0 2 3 1 8 3 2 0 0 4 4 7 4 4 3 2 1 20 15 3 7 100 31 5 4 17 37 72 30 6 6 4 2 1 4 2 2 2 2 1 2 2 3 6 15 9 4 3 2 4 9 35 9 6 3 2 4 2 1 2 3 4 4 4 2 15 1 7 5 2 1 18 14 3 4 3 2 6 1 1 2 3 1 3 13 8 1 12 4 3 7 3 4 2 2 2 3 3 2 4 4 6 3 11 9 2 1 3 8 2 1 67 10 4 3 5 9 55 13 84 20 20 36 12 1 3 3 3 75 1 0 3 7 60 80 26 19 52 11 8 22 65 4 3 2 1 7 8 2 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 2 1 1 3 2 3 2 3 2 1 4 5 6 15 28 33 39 25 15 5 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 4 5 46 17 13 48 35 7 5 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 d 1H J 22 | 87 87 dd 1H J 22 44 | 82 81 dd 1H J 21 78 | 76 75 d 1H J 27 | 74 73 dd 1H J 43 78 | 23 23 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1(C)OC[C@@H](CCON)O1
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ir: 1 1 1 1 2 1 1 0 1 4 3 3 1 2 1 2 1 3 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 2 2 5 5 2 1 2 3 8 23 31 27 5 5 2 1 2 2 2 11 11 10 4 4 2 9 5 4 3 2 2 1 2 11 45 100 30 6 2 1 1 1 1 1 5 5 3 3 2 4 6 12 7 6 8 7 7 3 3 3 3 2 1 1 1 1 1 1 2 3 3 2 0 3 4 3 7 22 44 45 22 12 8 3 6 4 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 1 1 1 2 2 1 2 2 3 4 18 9 16 4 1 1 1 1 1 1 2 2 3 3 5 4 5 4 4 9 22 51 7 1 2 10 75 65 18 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 48 47 s 2H | 41 40 m 2H | 39 38 dt 1H J 59 124 | 38 37 m 2H | 21 20 m 1H | 18 17 dq 1H J 57 149 | 14 14 s 3H | 13 13 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COC(=O)C1C[C@@H](OC)CN1c1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCC2
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ir: 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 4 4 2 2 1 1 2 2 3 6 23 5 3 1 1 1 1 2 1 1 4 1 1 1 2 1 3 1 3 2 2 6 3 7 2 0 2 5 7 2 2 2 1 1 1 1 1 2 1 2 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 2 2 1 2 1 3 2 1 1 1 2 11 5 1 1 1 1 1 2 1 2 4 2 2 1 1 1 1 1 1 2 2 3 3 2 1 3 3 1 1 3 1 1 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 8 4 2 1 1 8 100 11 1 1 0 11 4 4 29 6 2 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 1 3 2 1 1 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 8 20 5 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 61 60 d 1H J 7 | 45 45 dtt 1H J 17 37 71 | 45 44 m 2H | 42 42 dd 1H J 57 150 | 37 37 s 3H | 33 32 d 3H J 14 | 30 29 dd 2H J 56 66 | 28 27 m 2H | 25 24 ddd 1H J 34 72 128 | 24 23 tdd 2H J 54 65 89 | 23 22 ddd 1H J 53 71 128 | 19 18 pd 1H J 7 51 | 11 10 m 2H | 10 9 dddd 2H J 8 51 79 86
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1CCN(c2ccc(C(=O)O)cc2)CC1
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ir: 2 4 6 3 4 2 2 1 2 4 14 11 8 6 6 2 6 7 5 24 100 67 52 10 5 5 3 3 2 5 2 2 3 2 3 3 1 2 1 1 1 2 1 1 2 3 2 0 1 2 1 0 2 9 34 12 7 5 5 2 1 2 3 2 3 4 5 6 7 3 3 3 2 5 14 29 27 6 20 29 6 3 3 2 9 8 12 4 5 6 1 1 3 2 2 3 3 2 6 5 3 2 3 3 6 4 3 5 3 2 1 2 2 2 1 29 3 3 2 5 4 5 1 4 3 7 5 2 3 2 2 2 1 1 3 1 2 1 1 3 2 4 9 14 4 2 3 3 3 2 7 17 18 4 5 2 2 0 1 2 1 0 1 11 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 2 2 2 3 4 8 11 20 43 33 7 3 1 2 2 1 2 5 20 10 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H | 69 68 m 2H | 34 33 ddd 2H J 55 82 123 | 32 32 ddd 2H J 57 84 125 | 19 18 ddt 2H J 54 84 123 | 18 16 ddtd 1H J 13 51 65 116 | 16 15 ddt 2H J 53 82 121 | 10 10 d 3H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCC(C(=O)O)n1cc(C(F)(F)F)nc1C
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ir: 24 35 7 7 11 5 2 2 1 6 3 4 3 2 2 2 2 2 9 7 5 1 1 1 2 1 1 2 3 4 2 1 2 2 2 3 3 5 3 4 5 2 3 2 4 3 3 5 13 5 3 3 1 3 13 2 3 2 7 15 6 2 5 2 2 5 6 14 3 1 3 21 12 6 3 3 3 4 13 3 10 9 22 4 32 25 29 18 19 19 8 2 1 2 2 4 30 18 4 14 100 12 7 21 7 5 7 9 11 12 11 34 42 9 8 28 12 12 22 17 15 38 31 11 6 13 8 7 7 31 25 3 2 3 5 2 1 3 8 5 2 4 9 19 5 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 3 13 3 4 5 5 8 10 9 7 11 15 8 12 23 84 36 14 15 29 30 13 4 6 9 2 64 83 11 3 3 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 q 1H J 20 | 47 46 dddd 1H J 8 15 30 48 | 24 24 s 3H | 22 21 m 1H | 19 18 m 1H | 10 10 td 3H J 15 71
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1cccc(CCN)c1OC(C)C
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ir: 1 1 0 0 1 0 1 1 1 1 0 0 0 1 1 1 1 0 1 2 2 2 0 1 1 0 0 0 2 1 2 1 1 0 0 1 1 1 4 7 6 3 7 2 5 5 21 29 34 6 4 5 23 17 14 0 2 5 7 2 2 3 1 1 2 2 2 1 4 4 2 1 17 14 23 15 16 9 4 4 8 25 15 13 1 1 1 1 1 1 4 5 4 2 2 1 0 0 1 1 1 2 2 4 6 1 1 1 1 1 1 2 2 1 2 1 1 1 6 4 5 4 9 3 7 3 5 5 7 8 11 35 6 29 11 11 11 8 5 4 8 6 3 1 1 1 1 1 1 1 1 0 0 0 0 1 7 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 2 1 1 1 1 2 1 3 2 2 2 2 2 6 8 8 2 19 33 7 2 1 1 0 1 1 2 1 4 7 6 11 21 16 5 7 5 6 35 49 100 11 7 3 3 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 t 1H J 80 | 69 68 m 2H | 47 46 hept 1H J 56 | 39 38 s 2H | 31 30 tt 2H J 51 65 | 29 28 td 2H J 9 52 | 17 17 t 2H J 65 | 13 13 d 6H J 56
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NCc2ccc3ccccc3c2)CC1
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ir: 8 8 11 7 13 5 10 9 6 6 47 33 11 8 4 9 4 9 7 9 10 10 25 8 23 11 15 9 22 8 5 5 5 7 5 3 4 8 15 7 6 10 23 8 7 5 3 4 4 2 4 9 9 13 30 1 4 3 3 3 5 5 4 3 2 6 11 13 10 5 4 1 2 2 2 9 2 2 3 2 2 2 4 8 8 5 5 12 13 6 7 4 6 27 6 8 18 13 16 12 14 7 5 8 5 3 11 7 3 3 3 5 7 7 6 10 22 32 22 11 19 10 18 7 8 5 2 9 9 11 11 11 9 6 17 44 33 15 8 3 4 4 2 4 4 4 15 26 9 0 15 89 9 2 29 8 10 4 3 1 2 2 4 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 2 1 1 2 1 1 1 1 2 2 1 2 2 2 2 2 2 2 3 2 2 2 4 2 3 3 4 2 3 3 3 3 3 22 16 9 25 100 39 12 8 3 3 4 4 3 2 3 2 2 2 2 2 1 2 2 1 3 3 6 3 12 54 10 61 31 18 25 5 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 77 77 m 1H | 77 76 dt 1H J 8 86 | 75 75 ddd 1H J 14 68 85 | 74 73 m 2H | 73 72 dd 1H J 22 86 | 68 67 d 1H J 21 | 67 66 d 1H J 87 | 60 59 t 1H J 56 | 46 46 dt 2H J 9 55 | 36 36 m 4H | 34 33 m 4H | 15 14 s 7H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C[C@@H]1CC[C@@H](Cn2c(Br)nc3nc(-c4noc(=O)[nH]4)nc(N[C@H](C)C4CCC4)c32)CC1
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ir: 2 3 3 2 2 2 5 4 4 3 4 2 5 3 3 2 1 3 7 3 1 3 7 3 2 7 4 1 2 3 4 2 6 6 5 7 7 8 8 4 5 5 6 16 18 17 6 2 3 4 3 1 2 4 5 2 2 4 3 1 4 4 3 3 9 8 2 0 3 5 3 2 4 7 5 2 4 4 1 7 7 7 2 4 16 4 4 6 4 5 2 2 4 11 7 2 4 4 1 2 4 6 5 4 6 31 12 16 15 18 7 6 7 8 23 75 13 57 8 10 18 2 3 4 6 8 6 7 39 6 4 5 4 4 3 5 10 7 4 9 8 6 4 2 3 2 2 3 2 1 1 2 2 2 33 4 17 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 3 1 2 4 4 3 3 4 5 1 3 7 4 2 6 9 5 2 3 4 2 0 2 6 4 0 5 11 100 28 4 2 5 4 3 2 3 3 2 4 3 5 5 24 28 6 4 4 3 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 86 86 s 1H | 62 61 d 1H J 62 | 43 42 dd 1H J 65 156 | 41 41 dd 1H J 64 156 | 39 38 ddt 1H J 54 61 115 | 18 16 m 8H | 16 13 m 7H | 13 12 dd 3H J 15 53 | 12 11 dddd 2H J 49 73 82 119 | 9 9 m 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
CC(C)(NCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1)C(N)=O
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ir: 3 2 0 2 3 4 1 4 7 5 3 5 15 14 31 17 15 7 5 6 4 8 3 4 6 4 3 3 4 4 2 8 22 48 54 11 21 5 11 14 11 6 7 12 9 17 5 6 2 1 2 2 5 7 9 20 23 6 3 4 3 2 4 14 5 7 4 3 4 7 4 8 13 13 18 9 4 2 3 4 2 3 4 7 3 4 12 9 5 2 2 4 3 7 3 2 2 4 12 50 16 7 4 2 1 3 3 2 2 2 5 8 34 7 6 15 5 16 11 11 9 5 13 15 16 3 2 3 6 9 7 15 13 7 8 5 3 3 3 2 2 3 3 3 9 22 25 11 12 22 9 4 3 3 3 20 29 100 28 21 2 3 2 0 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 4 1 1 3 3 1 3 4 2 6 14 22 26 4 4 3 1 2 3 3 1 0 2 3 2 1 4 8 3 24 31 42 56 25 5 3 2 2 2 3 9 21 39 16 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 47 | 78 77 m 2H | 77 76 dq 2H J 14 110 | 75 75 dt 1H J 9 20 | 73 72 dd 1H J 21 47 | 68 67 s 2H | 42 41 m 2H | 41 41 dd 1H J 55 73 | 15 15 s 5H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
CC(C)(C)NCC(O)COc1ccccc1C(=O)Nc1cccc2[nH]cc(Cl)c12
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ir: 9 6 1 6 2 7 6 3 5 2 5 9 8 8 14 5 2 4 11 4 6 3 5 5 6 25 11 8 7 2 3 2 6 2 9 27 13 3 9 6 9 22 53 53 31 31 30 27 100 34 16 16 9 5 4 9 6 6 3 4 7 8 5 5 4 6 11 11 4 4 3 12 4 1 2 13 2 10 6 12 3 3 4 4 5 5 5 18 49 23 12 10 6 3 6 6 6 5 8 2 3 2 3 5 2 8 17 33 11 4 7 2 3 5 10 8 18 24 12 8 9 8 8 5 5 3 5 3 2 3 8 7 5 6 7 5 26 33 30 32 12 8 12 2 2 10 16 20 15 2 5 8 8 18 2 4 5 1 4 8 24 21 4 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 1 1 1 2 1 2 1 2 3 4 12 10 3 30 74 53 21 14 3 4 2 5 90 39 4 2 5 5 3 2 4 7 11 20 41 15 8 9 27 26 62 11 6 4 2 2 3 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 d 1H J 59 | 79 78 dd 1H J 16 80 | 76 75 d 1H J 59 | 75 75 dd 1H J 12 80 | 74 74 td 1H J 16 78 | 74 73 m 2H | 72 72 t 1H J 79 | 70 70 dd 1H J 12 79 | 42 41 dd 1H J 44 125 | 41 40 m 2H | 40 39 dd 1H J 45 125 | 35 34 t 1H J 74 | 30 30 ddd 1H J 47 75 132 | 28 27 ddd 1H J 47 75 132 | 13 12 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
C=CCNc1ccc(CC(=O)OC(C(=O)OCC)C(O)C(=O)OCC)cc1
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ir: 29 30 7 4 55 13 26 9 8 32 9 9 6 12 5 9 4 4 2 3 4 7 8 6 12 15 7 13 5 6 6 3 3 7 6 4 3 1 1 2 2 4 2 3 2 3 2 3 9 5 10 14 10 9 13 8 22 7 3 3 3 3 5 7 3 3 3 4 5 12 17 10 4 8 7 26 11 7 5 3 3 7 6 5 5 4 11 12 66 100 29 7 5 4 2 8 9 12 3 34 0 13 11 12 13 8 3 13 14 38 2 6 20 8 18 21 23 10 8 12 6 9 10 4 5 4 8 8 9 11 5 2 2 4 3 11 11 2 2 4 28 8 6 20 80 59 71 14 11 15 28 23 5 21 5 2 4 4 2 1 1 1 2 23 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 3 3 4 2 2 3 5 2 5 7 4 4 16 24 9 25 19 6 15 32 9 4 6 5 6 8 5 18 77 3 3 2 2 1 1 0 1 2 2 2 2 6 11 41 86 18 16 5 3 3 1 1 2 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 2H J 8 79 | 67 66 m 2H | 59 58 ddt 1H J 49 102 170 | 56 56 d 1H J 86 | 53 53 m 1H | 53 52 dq 1H J 11 170 | 47 46 dd 1H J 68 88 | 44 44 t 1H J 53 | 43 42 m 5H | 39 39 tt 2H J 14 52 | 37 36 m 3H | 11 10 t 6H J 63
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Nc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc2cccnc12
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ir: 1 2 1 2 1 1 2 1 4 3 5 5 1 4 1 11 13 14 11 20 7 5 5 6 10 3 8 3 3 2 3 2 2 2 3 4 10 32 4 9 5 7 3 3 5 4 9 12 9 11 9 7 9 10 22 5 4 2 4 3 2 5 6 9 28 10 8 2 3 5 2 4 2 2 2 2 3 4 23 7 7 3 1 2 4 22 18 3 4 4 3 2 1 2 6 3 2 4 18 2 2 3 2 3 4 12 12 23 23 2 1 2 4 7 9 1 2 1 1 2 1 3 19 4 3 3 4 12 2 1 1 1 1 1 0 2 5 1 1 4 2 2 8 5 4 12 7 2 2 4 21 4 2 4 3 7 2 28 74 13 10 1 21 14 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 2 2 1 0 2 3 9 23 28 6 5 1 2 1 1 1 1 1 1 1 1 1 1 0 2 20 11 1 1 1 1 1 3 5 12 14 5 100 20 2 4 2 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 95 95 s 1H | 86 86 dd 1H J 17 39 | 82 82 dt 1H J 18 82 | 80 80 dq 1H J 9 19 | 77 77 m 2H | 76 75 m 2H | 75 74 dd 1H J 13 88 | 73 73 d 1H J 73 | 67 66 s 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cnc(C(=O)CCN2CCOCC2)cn1
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ir: 14 3 9 15 1 12 7 17 36 27 70 73 31 10 7 5 4 2 1 3 3 2 3 3 7 53 10 4 3 1 2 2 3 2 3 7 10 24 6 4 4 5 11 7 35 10 11 5 5 0 3 10 19 15 6 8 6 5 6 4 3 12 15 10 10 8 34 9 25 36 52 18 37 78 41 10 2 2 6 31 100 11 6 5 2 6 16 43 10 3 7 12 4 42 87 9 5 15 23 4 7 17 10 9 13 8 68 4 4 4 10 13 12 14 11 4 3 4 4 12 13 15 18 22 33 13 9 30 93 53 62 12 4 6 6 7 12 59 51 32 9 3 4 2 3 3 3 84 5 10 2 2 4 29 6 1 1 2 2 21 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 10 5 4 5 8 14 8 4 5 6 10 19 24 13 32 33 29 24 6 6 4 3 3 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 84 84 d 1H J 9 | 84 83 s 1H | 37 36 m 4H | 32 32 t 2H J 67 | 30 29 t 2H J 67 | 26 26 s 3H | 26 25 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1CNCC(C)N1c1nc2ccc(C(F)(F)F)cc2s1
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ir: 5 2 0 4 8 4 12 8 11 9 2 23 5 15 27 6 17 4 3 15 5 3 1 5 4 1 1 4 4 1 1 4 7 2 2 6 5 3 11 5 3 1 3 6 14 17 3 5 6 1 4 7 10 9 100 67 17 33 30 76 19 19 26 19 5 1 6 7 6 3 7 5 3 1 8 5 3 1 4 4 2 2 8 9 2 1 5 4 2 22 11 8 2 4 6 6 4 7 19 23 5 3 5 19 10 6 8 7 6 9 9 41 27 38 16 19 4 19 12 8 5 8 10 4 5 43 8 11 8 7 28 7 8 6 5 2 3 6 8 15 9 6 5 2 16 9 4 1 3 6 14 5 3 4 4 1 2 4 3 1 2 5 6 0 2 4 3 0 2 5 2 0 2 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 4 2 3 7 11 7 9 17 18 4 4 5 2 1 3 4 2 1 3 4 2 1 4 7 9 14 24 91 7 6 4 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1; 1HNMR: 80 80 dp 1H J 9 18 | 77 77 s 1H | 77 77 m 1H | 41 40 qt 2H J 34 61 | 31 30 ddd 2H J 35 42 115 | 28 27 m 2H | 23 22 p 1H J 41 | 13 12 d 6H J 60
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CNC(=O)Nc1ccc(Cl)cc1
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ir: 2 6 6 3 2 3 4 3 3 16 15 10 1 3 5 3 3 9 6 4 2 5 6 4 7 11 7 2 2 5 6 3 3 5 5 2 4 8 5 7 60 63 20 5 4 5 4 3 5 5 7 16 15 10 25 16 31 16 4 0 4 7 3 1 3 5 5 2 15 10 3 2 4 5 2 2 4 4 2 3 4 4 2 2 4 5 3 2 6 4 2 2 5 4 1 5 14 14 3 3 5 5 5 15 16 16 3 3 5 3 2 3 4 3 1 3 6 5 1 4 5 3 3 7 19 10 4 5 5 3 2 4 4 2 2 4 4 2 3 13 7 3 2 4 4 7 10 23 29 10 55 88 41 41 28 7 4 3 4 4 3 5 9 11 5 2 3 5 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 4 1 3 5 5 1 9 25 49 48 42 22 8 12 10 6 6 4 4 5 4 3 3 4 4 3 4 4 4 11 9 16 57 100 85 16 14 5 6 5 2 3 4 4 2 3 5 4 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 78 78 s 1H | 73 73 m 2H | 72 72 m 2H | 61 61 q 1H J 47 | 27 27 d 3H J 46
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=c1n(CC(F)(F)F)c2cc(F)ccc2n1C1CCNCC1
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ir: 1 11 11 6 3 5 7 7 6 4 5 4 2 3 4 2 1 4 4 2 2 3 4 1 1 3 4 2 2 4 4 3 6 4 3 2 4 4 4 4 5 3 25 59 3 9 4 0 3 7 7 81 100 49 34 3 6 16 3 5 10 14 7 0 9 8 18 25 7 6 4 10 10 6 3 4 4 4 1 1 3 4 1 1 4 4 3 5 7 8 3 9 9 8 6 5 7 4 1 2 7 26 11 5 9 11 5 4 9 9 9 16 34 16 5 8 10 12 40 16 20 9 7 12 10 5 6 8 11 23 16 6 6 4 3 4 5 3 13 16 7 3 2 4 10 9 2 4 3 1 2 5 4 3 4 23 14 2 2 4 3 2 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 3 3 1 3 7 4 4 5 5 3 2 3 7 5 6 14 14 11 18 14 7 5 2 4 4 3 2 3 4 2 1 3 4 4 2 8 9 38 46 15 6 3 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 dd 1H J 46 86 | 73 72 dd 1H J 22 121 | 70 69 ddd 1H J 22 86 106 | 47 46 m 2H | 45 44 p 1H J 65 | 34 33 p 1H J 43 | 31 30 dddd 2H J 28 42 56 134 | 29 28 dddd 2H J 29 42 55 134 | 21 21 dddd 2H J 28 55 64 128 | 19 18 dddd 2H J 29 56 66 130
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1ccccc1-n1nc(-c2c(-c3ccccc3)nn3c2CN(C(C)C)CC3)ccc1=O
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ir: 0 1 3 2 0 8 8 2 1 3 6 3 1 3 9 6 4 20 3 2 1 1 3 1 1 1 1 14 4 18 10 10 3 4 6 6 3 80 5 2 5 15 76 14 9 3 3 2 1 1 2 11 2 2 1 1 21 41 47 13 3 1 4 7 2 3 3 2 19 7 8 8 6 4 4 4 3 9 5 1 1 2 3 8 21 8 6 3 3 6 29 2 3 7 5 9 3 7 8 14 11 5 2 2 2 3 3 2 2 2 1 3 7 3 3 2 4 3 1 12 4 5 1 2 2 2 2 6 3 2 6 20 56 6 17 12 15 32 12 21 54 17 4 13 17 5 5 3 14 11 10 16 35 7 4 3 28 9 3 6 2 3 2 2 6 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 2 3 0 1 4 4 2 2 3 2 2 5 7 7 7 22 32 86 100 51 32 16 15 13 15 3 6 4 4 2 3 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 4H | 76 76 dd 1H J 15 67 | 76 75 m 2H | 74 74 ddt 2H J 14 69 90 | 74 73 td 1H J 16 78 | 70 70 d 1H J 90 | 41 40 m 2H | 40 39 s 2H | 31 30 dq 1H J 65 130 | 30 30 m 2H | 24 23 s 2H | 11 11 d 6H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CN1CCC(CCNc2ccc(-c3nc(C#N)nc4[nH]ccc34)cc2C(F)(F)F)CC1
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ir: 13 6 10 6 7 8 9 4 11 22 30 3 5 13 9 91 7 6 5 8 3 16 5 8 11 6 7 67 2 4 3 2 4 3 5 3 4 18 51 6 9 4 4 9 8 31 9 5 4 3 3 2 3 4 20 17 2 4 3 2 4 5 3 2 3 3 3 5 4 3 6 3 4 5 3 33 7 8 6 6 38 5 2 2 5 2 3 3 6 23 4 3 3 4 4 8 6 9 10 4 5 24 4 4 4 4 4 5 7 8 21 13 20 11 6 4 3 8 13 6 5 6 23 8 7 3 14 9 2 3 3 11 2 5 4 8 12 4 9 8 27 1 0 10 8 3 100 2 7 6 36 8 28 11 61 15 7 49 9 2 3 4 3 3 27 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 4 3 2 3 3 4 4 5 10 6 7 66 21 20 7 17 4 3 2 3 3 3 2 2 2 3 2 2 3 5 4 5 7 9 39 36 38 27 12 7 7 7 4 4 5 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 dq 1H J 13 25 | 78 78 dd 1H J 22 79 | 75 74 dd 1H J 54 63 | 73 73 d 1H J 53 | 70 70 d 1H J 80 | 66 66 t 1H J 46 | 33 32 td 2H J 46 53 | 27 25 m 4H | 23 22 s 2H | 19 18 m 2H | 17 16 dt 2H J 53 65 | 16 15 m 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(O)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21
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ir: 3 3 3 2 3 2 0 2 5 2 1 2 2 1 1 4 7 5 5 3 5 4 2 4 3 3 4 3 2 2 6 6 5 12 19 20 7 4 2 5 4 4 3 4 2 1 2 5 7 24 22 12 5 3 2 2 1 0 1 2 2 2 5 6 1 0 2 3 1 1 1 2 2 6 3 2 4 2 7 14 3 3 2 2 1 1 2 2 0 1 2 2 1 1 4 3 3 2 3 2 1 3 4 4 3 4 4 4 3 2 2 2 3 2 4 2 2 2 3 4 2 3 3 4 1 2 2 1 2 3 5 3 1 3 4 1 1 3 7 2 2 4 8 34 13 3 3 4 4 2 8 3 39 6 10 2 8 30 100 19 4 5 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 3 3 15 6 4 12 9 2 3 3 3 1 2 27 7 2 3 2 1 1 2 2 6 31 5 2 2 2 2 3 7 15 8 5 4 15 28 20 4 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 d 1H J 88 | 81 80 dd 1H J 14 78 | 76 75 dd 1H J 14 77 | 74 73 td 1H J 14 79 | 72 72 td 1H J 15 79 | 67 67 s 2H | 43 42 ddq 1H J 15 29 88 | 41 40 t 2H J 74 | 26 26 s 1H | 18 18 t 2H J 74 | 12 12 s 5H | 10 10 d 10H J 14
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(C)OC(=O)CCOCCc1cccc(Br)c1
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ir: 10 2 2 4 2 3 5 4 5 25 8 4 9 5 3 2 2 3 2 2 3 3 4 8 4 3 3 2 2 4 3 9 3 10 3 3 2 8 3 2 2 2 2 2 3 4 7 33 14 0 8 2 2 2 2 2 2 8 3 3 2 9 6 6 13 9 6 14 11 13 6 8 3 3 2 2 3 4 3 3 2 3 3 3 11 8 2 2 3 5 7 3 3 2 3 6 13 8 12 2 3 2 1 2 5 4 22 3 4 3 2 3 4 4 24 4 4 4 5 9 13 16 18 8 33 7 7 11 7 16 12 7 2 3 2 3 3 2 4 9 5 3 4 4 7 100 12 5 4 3 4 6 2 2 8 3 2 2 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 3 4 5 3 5 4 4 5 6 3 3 3 3 3 29 35 11 12 70 10 10 5 3 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 ddd 1H J 12 21 81 | 73 73 tt 1H J 9 22 | 72 72 t 1H J 79 | 71 71 m 1H | 38 37 t 2H J 62 | 36 36 t 2H J 59 | 29 28 tt 2H J 9 60 | 26 26 t 2H J 62 | 14 14 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)CC(C)N
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ir: 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 2 2 3 2 2 2 2 2 3 4 7 7 4 3 3 3 2 3 3 3 3 3 3 4 3 3 4 3 6 3 6 9 4 4 3 6 5 2 3 3 3 4 4 5 5 4 4 8 22 12 4 4 5 4 2 2 3 3 2 2 3 3 2 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 4 3 3 3 3 3 4 4 3 3 6 13 13 23 20 7 4 3 3 2 3 3 10 7 8 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 4 5 5 3 3 3 2 2 3 3 2 2 3 3 3 2 3 5 8 6 7 7 5 1 6 8 2 27 100 0 7 6 1 2 4 3 1 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 43 42 d 2H J 61 | 42 41 q 2H J 66 | 34 33 dq 1H J 60 121 | 26 25 dd 1H J 63 173 | 24 23 dd 1H J 62 174 | 13 12 m 6H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(CCC(=O)O)CCC2
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ir: 0 1 1 2 1 1 3 3 2 4 10 5 7 3 5 3 3 4 9 19 20 41 39 24 4 3 4 2 2 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 2 2 1 1 4 2 1 1 10 3 2 1 0 1 1 1 0 1 1 0 0 1 6 2 3 2 1 2 3 5 12 12 10 5 4 2 2 1 3 3 1 3 1 1 1 0 3 1 3 1 2 1 3 2 1 1 1 1 2 2 3 3 1 1 1 1 1 2 2 3 2 1 3 3 2 3 4 3 3 1 2 1 1 1 1 1 1 2 2 2 3 8 8 6 8 7 11 10 8 7 8 4 3 1 1 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 2 1 2 1 1 1 1 9 4 5 11 6 5 2 3 2 2 1 2 5 43 100 24 13 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 dq 2H J 9 74 | 71 71 m 2H | 54 53 dt 1H J 9 148 | 53 52 dt 1H J 8 145 | 33 32 tt 1H J 63 71 | 33 31 hept 1H J 66 | 29 27 m 2H | 25 24 dt 1H J 79 155 | 24 23 dt 1H J 79 155 | 22 21 dtd 1H J 70 79 126 | 21 17 m 5H | 13 13 dd 6H J 26 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1ccc(C)nc1
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ir: 2 4 1 4 4 2 4 5 8 7 0 2 6 19 6 1 3 0 1 1 3 1 1 0 2 1 1 3 0 1 2 0 0 3 14 10 11 27 3 5 1 12 5 2 2 0 4 3 8 9 4 14 54 44 6 3 6 25 25 2 2 1 2 4 3 2 8 14 62 100 16 4 9 2 1 1 11 3 5 1 1 1 0 0 0 1 0 0 1 2 3 3 1 1 1 2 3 31 2 3 2 12 37 3 1 1 10 1 3 2 1 3 3 9 9 3 3 4 4 5 2 5 5 19 4 7 8 19 10 15 8 7 2 4 2 26 13 6 3 5 1 0 0 0 0 0 7 1 2 29 3 2 13 6 5 13 1 0 1 2 13 4 21 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 2 1 2 1 1 1 1 2 5 3 14 4 19 23 10 5 10 15 3 3 2 1 1 0 1 1 0 0 1 1 1 2 3 2 8 28 12 23 10 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 100 s 1H | 88 88 d 1H J 19 | 81 80 dd 1H J 20 79 | 78 78 d 1H J 7 | 73 72 dd 1H J 9 78 | 59 58 m 1H | 39 38 m 1H | 39 38 s 3H | 37 37 ddd 1H J 33 49 104 | 25 25 d 3H J 7 | 24 23 dddd 1H J 23 54 80 148 | 21 20 dddd 1H J 23 54 79 147 | 20 19 m 1H | 18 17 m 1H | 17 15 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)Nc1cc(NC(=O)OC(C)(C)C)c(N)cc1Cl
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ir: 15 12 6 4 9 34 9 11 5 37 33 13 8 9 20 22 3 5 4 5 4 7 8 4 4 8 11 42 11 11 4 6 6 12 7 15 11 14 11 2 6 6 2 2 3 2 2 2 2 2 1 2 2 2 2 3 3 2 2 1 3 1 3 2 2 6 9 16 13 9 3 2 3 7 7 3 1 2 10 7 2 7 4 2 2 2 1 1 1 1 1 1 1 1 2 1 5 3 7 20 2 2 1 2 7 12 4 2 2 1 3 2 5 4 9 3 2 2 3 5 9 5 5 3 18 30 11 5 5 8 7 3 3 8 10 3 2 1 2 69 5 2 2 2 2 3 3 10 28 11 10 27 100 11 71 4 13 74 79 5 3 1 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 2 1 0 2 7 5 12 23 5 11 37 20 3 3 2 1 3 1 1 1 2 1 1 1 3 1 3 3 20 40 6 10 17 25 28 75 36 26 8 10 37 95 6 1 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 s 1H | 73 73 s 1H | 70 69 s 1H | 49 48 d 1H J 75 | 46 45 s 2H | 38 37 dp 1H J 62 75 | 15 14 s 8H | 12 12 d 7H J 62
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccncc2CO)CC1
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ir: 5 7 8 5 6 5 9 5 3 4 3 3 4 5 8 13 9 12 9 6 16 16 6 5 6 4 2 4 4 4 5 3 6 4 4 5 3 4 7 7 33 31 22 42 9 35 20 23 46 10 5 2 13 14 20 19 13 5 4 3 4 4 5 10 5 2 2 5 10 6 12 8 18 10 12 8 4 3 3 2 4 5 2 4 9 13 32 20 48 15 28 47 18 20 9 8 17 7 74 14 3 7 19 33 21 18 9 5 5 7 6 9 14 7 9 19 11 13 6 5 7 11 9 12 11 20 8 5 5 3 5 3 2 3 5 4 3 4 6 9 25 11 6 9 12 5 8 3 11 8 81 25 61 15 63 15 5 3 13 9 42 54 6 6 4 3 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 3 2 2 2 2 2 3 6 3 3 3 3 2 2 2 6 15 5 8 79 17 4 5 7 4 0 20 100 22 14 4 4 4 5 3 4 2 2 3 4 4 14 33 73 32 30 12 4 3 4 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 m 2H | 83 83 s 1H | 80 80 d 1H J 45 | 75 75 dt 1H J 9 75 | 75 74 dq 1H J 20 77 | 71 70 m 1H | 48 47 td 4H J 8 61 | 38 37 ddd 2H J 60 88 136 | 34 33 m 3H | 19 18 dddd 2H J 51 59 88 123 | 18 16 ddtd 1H J 13 51 64 116 | 16 15 dddd 2H J 51 60 86 121 | 10 10 d 3H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Brc1ccc(C2CCNCC2)cc1
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ir: 5 2 1 1 1 1 1 2 1 1 0 1 1 1 8 10 7 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 4 4 2 1 0 1 1 1 0 3 2 2 1 1 6 1 6 18 92 71 21 32 22 20 15 7 0 2 3 1 1 1 1 2 11 15 13 8 3 2 2 1 0 1 1 0 0 1 1 1 0 1 1 2 2 2 2 9 22 3 9 0 1 3 1 1 1 1 1 0 1 1 1 1 3 5 6 48 51 16 6 9 9 17 34 16 17 3 3 1 2 3 5 3 2 7 19 15 8 6 2 1 1 1 1 0 1 1 0 1 1 2 2 27 9 6 3 1 4 7 7 1 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 3 2 2 2 2 2 2 2 2 8 19 11 17 23 13 8 3 2 2 4 2 1 3 1 1 0 1 2 2 3 4 5 18 100 19 1 2 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 74 74 m 2H | 72 71 m 2H | 31 31 dddd 2H J 27 38 55 134 | 28 28 dddd 2H J 27 38 53 134 | 28 27 m 1H | 24 23 p 1H J 38 | 22 21 dtd 2H J 27 57 140 | 17 16 dtd 2H J 27 57 139
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1nc(N2CCc3ccsc3C2C)nc(Cl)c1C
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ir: 1 1 1 1 0 1 1 1 2 1 1 1 1 1 2 1 2 4 3 5 1 1 2 1 2 3 3 2 1 1 1 1 1 1 1 2 13 11 10 0 0 2 2 5 2 2 1 1 2 2 1 0 1 2 2 1 1 1 1 0 1 2 3 1 1 2 1 1 4 4 1 2 2 2 2 2 3 2 1 1 1 1 1 1 1 1 2 1 2 4 1 1 2 3 1 8 3 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 3 2 1 3 3 5 4 2 6 11 10 1 2 2 1 4 2 2 1 1 2 5 5 0 3 16 100 9 5 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 1 1 2 1 1 3 10 8 4 1 1 4 5 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 d 1H J 59 | 69 68 dt 1H J 8 57 | 51 50 q 1H J 69 | 43 42 ddd 1H J 49 73 152 | 42 41 ddd 1H J 49 75 154 | 31 29 m 2H | 24 24 s 2H | 23 23 s 2H | 16 16 d 3H J 69
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C1CCc2c1cccc2-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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ir: 5 1 0 4 18 2 1 1 1 1 1 1 1 1 1 2 1 7 1 1 3 2 1 2 3 6 2 1 1 0 1 1 2 10 9 1 3 1 1 1 1 1 3 0 1 2 12 22 2 0 1 1 1 1 1 1 1 0 1 1 1 0 2 4 2 2 9 16 11 3 4 1 2 1 2 1 1 1 1 6 2 3 3 12 8 2 2 2 1 3 1 0 1 1 1 3 1 3 5 82 12 3 1 1 2 1 1 1 2 3 57 11 1 2 4 4 2 1 2 4 24 3 1 2 1 2 3 15 20 100 5 2 4 5 1 1 1 0 0 12 8 1 1 13 7 1 1 1 2 20 2 0 1 1 1 1 1 4 1 0 1 1 3 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 4 1 2 2 1 1 1 4 10 4 10 46 20 5 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 81 t 1H J 22 | 80 79 d 2H J 22 | 78 78 dd 1H J 12 80 | 77 76 dd 1H J 12 80 | 75 75 t 1H J 80 | 32 31 dd 2H J 59 70 | 28 28 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1ccc(S(=O)(=O)N2[C@@H](CCCCO)CC[C@H]2c2ccc(F)cc2)cc1
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ir: 8 17 16 6 11 4 20 10 7 21 1 21 24 55 77 26 11 15 19 18 21 18 17 15 11 26 9 6 24 13 18 9 24 11 12 8 3 8 7 3 8 9 10 6 8 6 7 6 6 11 7 32 40 50 49 24 17 13 22 19 20 13 11 3 13 16 19 36 58 26 11 4 13 12 6 2 5 5 4 9 18 16 11 34 72 67 42 38 54 78 59 58 42 76 50 36 67 30 27 41 36 26 36 8 11 11 7 4 6 13 10 11 12 8 5 8 17 15 4 18 6 14 13 22 42 21 25 16 11 12 8 8 5 2 2 3 5 2 2 2 3 2 3 3 3 2 20 38 32 17 10 8 8 4 3 3 2 1 2 2 10 7 3 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 1 1 2 1 1 1 3 2 0 1 2 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 3 2 8 4 5 3 4 8 7 7 7 6 13 19 55 100 63 70 48 14 33 20 16 13 10 12 6 3 2 2 3 1 1 2 2 1 1 3 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 77 77 m 2H | 75 74 m 2H | 73 72 m 2H | 71 71 m 2H | 46 46 m 1H | 37 35 m 3H | 26 26 t 1H J 58 | 24 24 d 3H J 10 | 21 21 m 1H | 20 18 m 3H | 18 17 dtd 1H J 45 65 112 | 17 16 m 1H | 16 14 m 3H | 14 13 m 1H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1ccc2c(OCCBr)cccc2n1
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ir: 1 1 1 1 2 2 1 1 2 1 1 1 2 1 2 2 3 2 2 2 2 6 3 7 2 2 2 4 2 1 2 1 2 2 2 1 2 2 2 2 2 1 2 6 2 2 2 0 3 19 100 44 8 1 1 2 1 1 1 2 1 4 2 2 3 1 6 4 6 7 4 2 1 1 1 2 7 3 4 28 6 4 2 1 1 1 1 1 2 5 1 1 2 1 2 2 1 1 3 2 3 2 2 4 4 10 4 3 1 1 2 3 2 3 2 5 2 3 3 5 2 2 2 2 1 2 2 3 1 3 5 9 6 2 3 4 18 4 2 1 1 13 27 3 3 2 1 2 5 23 8 5 1 4 6 5 15 9 8 40 6 2 1 2 27 4 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 3 3 4 2 3 7 10 11 13 16 35 43 19 9 8 6 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 80 | 77 77 dd 1H J 14 78 | 74 73 dd 1H J 75 84 | 71 71 dq 1H J 8 82 | 70 70 dd 1H J 14 84 | 44 43 t 2H J 35 | 37 37 t 2H J 35 | 27 27 d 3H J 7
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)CCc1c(-c2cccc(OC(F)(F)F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C
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ir: 4 6 28 9 2 8 9 7 8 16 5 6 3 4 19 7 0 5 12 14 16 6 9 7 3 9 8 24 2 5 3 2 64 6 11 3 3 5 3 2 7 18 23 9 5 8 11 39 29 17 7 2 9 20 13 8 8 11 12 15 13 13 15 39 5 13 6 8 7 21 10 1 11 23 23 7 5 22 9 10 6 10 6 5 8 15 12 8 37 28 14 11 13 21 9 12 19 49 14 51 22 44 49 15 19 15 14 14 18 23 6 23 36 30 25 30 13 19 50 36 13 15 6 21 26 29 58 19 7 15 9 14 4 7 4 5 6 10 11 13 7 5 24 10 11 6 4 6 14 11 3 4 3 1 2 5 18 39 6 10 3 1 2 5 5 1 2 5 57 9 3 3 7 1 2 2 52 3 2 3 2 1 2 4 2 1 2 3 1 0 2 3 1 1 2 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 2 1 3 3 1 1 3 3 2 2 3 2 2 2 3 3 1 2 4 4 2 5 8 12 11 12 4 33 15 14 8 16 9 22 3 36 72 100 76 65 46 19 26 15 21 13 12 25 31 18 11 8 3 5 6 3 1 3 5 2 2 3 3 3 3 4 4 3 4 4 3 2 2 5 4 1 1 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3; 1HNMR: 74 73 m 2H | 73 72 t 1H J 20 | 72 72 m 1H | 39 38 m 3H | 37 36 q 2H J 62 | 36 36 s 3H | 30 29 t 2H J 77 | 19 18 p 2H J 65 | 17 15 m 3H | 9 9 d 6H J 65
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1ccc(-n2cnc(OC(C)C(=O)O)n2)cc1
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ir: 3 5 3 3 3 2 3 2 3 4 10 7 21 13 15 4 6 12 12 28 51 100 27 29 7 8 5 3 4 1 1 2 3 9 7 3 4 2 3 3 2 1 3 5 3 3 2 3 3 7 2 6 42 3 7 17 28 3 3 4 5 3 4 14 2 3 2 4 4 13 3 6 12 11 9 7 7 16 39 57 16 6 0 46 8 4 12 17 6 7 4 3 2 1 2 4 4 4 3 3 1 1 1 1 1 2 6 2 2 3 2 2 1 1 2 3 2 5 4 3 2 3 2 3 3 3 2 3 3 5 23 7 2 2 2 2 2 3 4 27 8 12 10 60 18 7 15 16 13 4 4 4 5 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 3 5 3 3 3 7 11 11 36 7 6 4 2 2 3 2 2 3 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 76 75 m 2H | 70 70 m 2H | 51 51 q 1H J 71 | 38 38 s 3H | 16 16 d 3H J 71
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Nc1cnc(Cl)cc1N1CCC(F)(F)CC1
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ir: 7 5 3 6 14 14 15 9 3 7 4 12 11 16 4 8 6 5 5 3 5 5 13 12 10 3 2 4 3 5 1 3 3 2 2 2 3 1 2 2 2 1 1 3 4 0 2 2 2 1 1 3 2 1 3 5 3 1 6 5 2 1 3 5 4 13 16 6 2 1 6 8 2 1 2 3 2 3 28 8 2 1 2 2 5 5 3 2 3 4 4 4 3 2 2 3 3 3 4 6 2 1 2 1 2 3 6 10 4 4 2 1 2 3 4 2 3 5 4 2 3 4 6 5 2 5 2 5 2 2 3 11 5 3 2 1 1 1 1 1 1 1 1 1 1 3 14 29 7 2 5 4 2 4 4 69 100 8 4 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 3 5 4 2 3 3 2 1 2 3 7 15 6 5 4 4 2 2 1 1 1 1 1 0 1 1 1 0 1 2 1 3 28 8 2 1 1 1 1 1 1 2 4 7 29 18 2 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 s 1H | 65 65 s 1H | 48 47 s 2H | 37 36 m 4H | 23 21 tt 4H J 61 142
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)Cc1ccc(OCC(=O)O)c(F)c1
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ir: 0 2 2 3 5 7 18 3 2 6 12 7 15 15 22 7 18 14 11 15 50 100 34 17 22 14 8 8 6 3 2 4 3 2 1 2 3 3 2 5 4 3 2 4 3 5 3 4 5 6 3 4 6 6 15 5 9 4 2 2 2 1 2 4 4 4 11 15 17 3 2 1 6 6 7 21 14 14 63 23 13 36 10 7 3 5 16 10 6 9 6 3 2 2 3 4 3 4 5 11 5 9 16 4 3 2 2 1 1 1 2 2 1 2 3 2 5 5 13 13 4 11 6 4 3 4 6 5 8 7 3 6 7 4 2 2 1 1 3 5 7 13 49 24 64 19 11 11 9 50 10 1 10 14 2 1 1 1 1 0 1 8 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 2 2 1 2 2 2 3 4 5 4 3 2 3 2 7 9 12 19 14 17 31 4 3 4 2 3 4 5 46 78 24 6 4 3 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 ddt 1H J 8 17 121 | 70 70 ddt 1H J 8 16 85 | 69 68 dd 1H J 47 85 | 47 47 s 2H | 42 41 q 2H J 66 | 36 36 t 2H J 9 | 13 12 m 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cc(NC(=O)c2ccccc2C)ccc1Br
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ir: 2 1 1 2 8 13 5 4 3 2 1 1 1 1 1 2 14 2 1 1 1 1 1 2 3 6 5 4 2 4 8 15 12 7 4 9 8 16 13 36 33 21 24 36 13 2 4 6 5 2 5 4 3 14 28 20 3 0 1 1 1 1 1 3 9 14 4 5 9 6 11 17 8 4 6 4 5 2 1 2 2 1 2 3 1 2 2 2 1 4 12 10 11 12 5 3 1 1 1 2 0 1 4 7 23 14 9 2 1 1 1 1 0 2 1 2 4 3 3 2 1 1 1 1 1 2 2 2 2 3 3 2 1 2 1 4 28 28 26 22 13 23 15 50 36 11 13 9 14 80 20 18 14 11 13 10 6 4 2 5 3 5 100 29 9 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 3 1 1 1 1 1 1 2 3 3 0 4 3 7 5 22 69 32 16 5 4 3 3 1 1 2 1 2 1 2 2 1 1 3 2 3 2 5 12 32 73 26 8 7 3 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 s 1H | 77 76 dd 1H J 16 80 | 75 74 d 1H J 18 | 74 74 ddd 2H J 18 54 77 | 73 73 m 2H | 73 73 m 1H | 24 24 d 3H J 7 | 23 23 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C=CCCCCCCCCCCCCCCCCCCCCO
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ir: 7 4 2 3 4 3 3 5 3 4 2 4 3 4 2 3 4 1 3 2 3 2 1 2 2 1 2 6 13 11 3 3 2 1 2 4 4 16 5 5 10 6 5 4 4 3 1 3 4 3 3 3 4 4 4 4 4 1 5 2 5 2 7 7 6 7 7 10 12 3 10 38 37 10 3 4 5 5 5 5 11 8 7 11 27 48 83 19 39 9 100 54 26 25 18 8 4 4 5 4 3 4 6 4 3 8 24 11 16 26 17 14 17 11 10 15 7 28 23 45 29 8 17 8 4 6 12 3 3 4 3 2 3 3 4 2 3 9 28 7 5 3 2 1 1 2 2 1 1 1 1 1 1 1 1 0 2 3 5 1 3 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 0 2 1 1 1 2 2 1 1 2 3 4 2 8 4 24 34 10 10 4 10 12 51 12 16 87 99 37 36 12 6 5 15 15 11 26 79 48 15 8 6 4 4 3 3 2 2 1 2 2 1 1 1 2 1 1 2 2 3 2 2 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 59 57 m 1H | 51 51 dq 1H J 16 102 | 50 49 ddt 1H J 13 24 172 | 36 35 q 2H J 58 | 27 27 t 1H J 59 | 21 20 tdt 2H J 14 67 81 | 16 15 tt 2H J 58 79 | 14 12 m 33H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCCC(=O)OCC)c1
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ir: 0 1 2 1 0 2 3 1 1 2 2 2 1 1 1 2 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 2 1 2 2 3 3 1 1 2 3 6 7 10 3 4 3 2 2 3 1 0 1 1 1 2 3 3 2 1 1 2 1 2 1 2 3 23 32 19 4 2 1 1 1 2 3 8 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 4 1 1 1 1 2 3 2 2 2 1 1 1 2 3 1 2 2 1 2 4 2 2 1 1 1 2 1 0 1 1 0 1 1 5 2 1 3 8 2 1 2 12 8 1 4 3 1 1 1 2 1 0 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 1 2 0 1 2 3 1 2 2 1 1 1 2 1 1 5 5 4 50 8 3 3 1 2 2 1 100 13 1 1 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 72 t 1H J 81 | 71 70 m 2H | 69 68 m 7H | 42 41 q 2H J 66 | 41 40 t 2H J 64 | 28 27 t 2H J 64 | 25 24 t 2H J 88 | 21 20 tt 2H J 63 88 | 17 16 qt 2H J 65 79 | 13 12 t 3H J 66 | 10 10 t 3H J 79
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CN1NC(c2ccccc2)C(c2ccccc2)C1=O
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ir: 1 1 1 1 0 1 1 1 1 2 1 1 1 4 1 2 2 2 1 2 6 5 7 5 3 2 5 2 2 3 7 7 16 18 20 3 4 2 6 8 14 27 18 7 3 2 2 2 1 1 1 1 1 1 1 1 1 5 3 4 5 4 5 11 5 2 7 28 9 12 7 7 9 1 6 6 9 7 4 4 4 1 1 1 1 1 1 1 1 6 3 2 1 2 6 3 3 16 11 11 7 1 1 1 1 2 1 2 5 2 1 2 0 4 13 6 5 8 5 7 8 8 9 3 4 5 3 5 6 10 3 2 4 3 6 8 8 1 0 1 1 3 6 11 21 4 5 4 4 14 12 7 6 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 3 2 4 3 5 6 8 21 26 15 8 4 3 2 2 2 1 2 1 1 0 1 2 2 2 3 9 100 68 16 2 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 72 m 11H | 48 48 m 1H | 42 42 dd 1H J 8 51 | 32 32 s 2H | 26 25 d 1H J 44
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COCC1CCCN1c1ncc(C#N)cc1C
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ir: 20 19 21 22 20 23 24 23 21 22 21 23 28 32 23 29 20 22 25 26 19 19 20 19 18 19 19 18 18 26 20 19 19 21 25 20 30 33 37 41 74 22 22 22 20 22 20 21 19 19 20 19 20 21 21 35 28 31 28 22 22 24 24 19 28 24 41 33 29 20 22 24 23 22 20 20 20 20 22 21 20 20 20 22 28 26 44 32 28 32 34 31 31 25 23 23 25 21 22 20 19 23 21 41 27 26 23 20 21 29 29 21 20 24 25 21 20 22 23 21 24 25 32 30 28 28 23 21 37 30 36 23 24 21 19 21 23 51 53 44 23 18 19 20 20 22 44 23 54 19 20 20 24 39 22 21 20 21 20 20 19 17 18 20 19 17 18 20 19 17 18 21 19 16 19 22 18 15 19 24 17 15 100 0 20 24 18 16 19 20 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 19 18 19 19 18 18 19 18 19 18 18 19 19 18 18 18 19 18 19 19 19 18 18 18 19 18 19 19 19 18 18 19 19 19 18 19 19 18 18 19 19 19 18 19 18 18 18 19 19 19 19 20 20 20 20 21 21 20 22 21 21 19 24 21 42 33 37 23 26 25 37 28 22 20 19 19 19 19 19 19 19 18 19 19 19 18 19 19 19 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 19 18 18 19 18 18 18 19; 1HNMR: 86 85 d 1H J 16 | 77 76 m 1H | 40 40 m 1H | 38 37 dd 1H J 47 103 | 36 35 ddd 1H J 40 58 133 | 35 34 m 2H | 34 33 s 2H | 23 22 m 1H | 22 22 s 3H | 21 19 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@@H]12
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ir: 19 4 7 5 1 3 3 2 4 3 3 8 0 4 1 1 1 1 1 2 1 1 2 5 1 5 6 3 3 10 8 4 22 16 3 2 4 10 29 70 21 10 3 3 4 0 2 2 1 1 1 1 6 0 1 2 2 4 1 1 1 1 1 4 4 11 6 7 14 11 3 2 8 13 5 4 7 10 24 6 1 2 4 23 3 2 2 7 100 20 3 1 2 2 1 1 1 3 4 6 4 1 1 1 1 1 2 4 2 1 1 1 1 1 1 1 2 6 1 2 2 2 2 1 2 2 2 1 1 1 2 1 1 8 9 56 9 3 1 1 2 2 7 25 12 5 7 4 1 1 2 5 4 2 1 1 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 2 1 2 2 1 1 3 3 3 5 11 10 24 48 32 11 6 3 2 3 5 16 60 6 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 74 73 m 14H | 56 55 d 1H J 10 | 49 49 m 2H | 47 47 dd 1H J 9 119 | 47 46 d 1H J 117 | 45 45 dd 1H J 9 119 | 42 41 dd 1H J 14 115 | 40 40 ddd 1H J 38 62 75 | 40 39 m 2H | 38 37 ddd 1H J 37 62 73 | 36 36 m 1H | 28 27 d 1H J 67
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(C)OC(=O)NC(CCCCN)C(=O)NCC(O)C(O)C(O)C(O)CO
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ir: 10 9 9 11 5 9 8 7 12 12 6 11 15 6 6 14 13 12 19 14 22 14 19 10 4 5 5 7 9 16 13 17 10 12 5 10 10 4 5 6 5 9 6 12 15 19 6 5 6 4 2 3 7 5 3 2 6 4 10 8 3 2 3 4 2 5 2 5 8 2 5 4 7 20 9 9 5 4 5 6 11 11 2 3 4 11 20 20 16 9 15 21 18 18 14 21 26 19 8 10 2 3 2 1 2 1 2 3 5 4 2 3 3 2 1 2 5 3 4 4 6 5 2 4 2 1 3 5 3 5 5 6 11 10 7 4 5 6 2 3 4 11 60 15 11 59 23 5 24 17 6 5 2 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 1 3 3 2 2 2 4 3 3 3 6 8 3 2 3 2 3 6 16 38 31 38 66 49 34 6 4 3 12 28 9 8 7 6 6 25 47 100 45 16 14 13 8 3 4 3 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 t 1H J 71 | 57 57 d 1H J 79 | 44 43 d 1H J 51 | 43 42 dd 2H J 51 102 | 41 40 t 1H J 54 | 40 40 dt 1H J 59 79 | 39 38 dq 1H J 48 73 | 38 38 d 1H J 50 | 38 37 m 1H | 36 34 m 5H | 32 32 ddd 1H J 47 71 132 | 27 26 tt 2H J 50 65 | 19 18 dtd 1H J 59 90 148 | 17 17 t 2H J 65 | 17 15 dtd 1H J 59 90 147 | 15 13 m 4H | 14 14 s 9H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(C)c1cc(C(C)(C)C)c(F)c(C(C)(C)C)c1
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ir: 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 1 1 2 2 1 1 2 7 6 0 1 1 1 1 1 1 1 1 1 2 1 3 14 16 11 3 3 1 1 2 11 3 2 1 1 1 2 1 1 1 1 1 2 4 10 7 8 10 20 42 21 32 43 11 6 4 5 3 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 2 4 2 1 2 2 1 1 2 2 1 1 2 2 2 4 2 4 3 3 28 14 17 16 18 9 18 8 5 3 8 4 10 7 14 23 17 17 13 6 5 11 8 7 8 4 9 31 17 5 1 2 8 6 4 1 1 1 1 1 1 1 1 1 2 1 1 2 5 7 8 4 8 6 11 15 5 5 6 5 4 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 3 5 21 10 5 5 2 1 2 4 4 0 8 8 16 96 100 25 37 94 93 56 9 7 2 2 2 3 2 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 d 3H J 29 | 14 14 s 18H | 12 12 s 9H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(=O)Nc1ccc(OCCBr)c(-c2ccnn2C)c1
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ir: 2 1 2 1 1 3 2 3 11 31 4 6 1 4 6 17 3 1 5 5 3 4 3 7 6 3 3 1 1 5 5 4 4 27 55 17 9 1 2 4 3 3 2 4 1 0 1 1 1 3 6 12 15 5 5 3 6 2 1 1 2 3 4 0 2 4 5 37 23 9 12 9 5 1 1 2 1 1 1 2 1 1 4 3 5 6 3 3 2 2 4 2 2 9 22 7 2 6 4 2 4 2 2 6 25 38 4 3 3 5 3 1 1 2 4 2 4 3 6 3 4 7 6 4 2 4 3 3 2 2 1 11 12 4 3 3 6 3 2 1 1 3 6 4 17 100 25 28 11 7 36 10 20 14 4 4 2 2 2 1 2 1 1 2 20 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 1 2 2 2 1 3 2 2 2 3 5 5 17 12 14 14 32 18 30 10 4 3 4 2 1 2 1 1 2 1 1 1 1 1 3 3 6 10 36 56 29 19 12 7 4 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H | 77 77 d 1H J 22 | 75 75 m 2H | 70 69 d 1H J 88 | 65 65 d 1H J 33 | 44 43 t 2H J 35 | 38 38 s 3H | 37 37 t 2H J 35 | 22 21 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)c1ccc(N2CCOCS2(=O)=O)cc1F
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ir: 1 1 4 6 11 14 4 4 4 3 4 4 12 6 3 4 2 5 5 8 12 35 61 34 8 10 6 7 4 2 1 1 1 1 1 3 3 2 1 1 0 1 1 0 0 1 1 1 14 3 4 2 2 2 3 16 2 0 2 1 2 6 1 1 2 10 6 12 7 15 4 5 7 24 3 22 2 4 14 20 4 4 2 3 11 16 5 100 5 6 2 2 5 2 6 1 7 9 3 3 2 2 1 1 4 19 9 2 3 2 2 12 8 2 1 7 8 2 5 2 2 1 1 2 3 3 1 3 2 1 0 1 1 1 0 1 1 2 1 1 2 2 40 16 5 10 1 3 2 1 1 2 3 10 10 5 1 1 1 1 1 0 1 15 4 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 15 4 4 1 2 2 2 2 5 17 10 19 12 4 3 1 1 1 0 1 4 5 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 dd 1H J 50 76 | 69 69 dd 1H J 21 121 | 69 68 dd 1H J 21 75 | 53 52 s 2H | 42 41 dd 2H J 57 65 | 39 39 dd 2H J 57 65
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Clc1ccc(Nc2ncnc3sc4c(c23)CCNC4)cc1Cl
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ir: 3 5 3 11 13 5 4 12 14 9 34 6 4 10 5 9 12 62 8 4 4 5 4 13 8 5 3 3 3 3 4 3 3 3 4 4 4 4 30 23 23 7 16 8 7 46 17 5 3 4 3 3 5 10 38 45 8 14 11 6 18 6 13 4 4 5 6 19 9 6 3 4 3 4 3 3 3 3 3 3 3 3 5 3 3 3 3 3 3 2 5 10 11 13 4 4 12 4 2 4 4 4 6 12 7 19 37 6 8 14 72 26 16 18 21 6 5 7 5 4 5 3 4 9 7 6 8 7 4 14 13 4 3 4 9 5 4 4 3 3 4 4 26 6 4 3 3 3 4 8 38 8 5 79 23 0 9 100 5 4 3 3 7 83 24 3 3 3 3 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 3 2 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 4 4 3 3 3 3 3 3 3 3 11 4 18 16 22 5 4 5 4 3 3 3 3 3 3 3 3 3 3 7 11 6 13 79 8 5 23 22 29 23 61 6 4 3 3 3 3 3 3 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 86 86 s 1H | 85 85 s 1H | 78 78 d 1H J 22 | 74 74 d 1H J 79 | 73 73 dd 1H J 21 78 | 42 41 d 2H J 35 | 35 34 p 1H J 35 | 31 30 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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NC(=O)c1cccc2nc(C3CCCC4CCCCN43)oc12
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ir: 4 4 4 3 3 2 3 2 5 4 3 10 10 13 44 12 6 7 7 18 5 9 8 6 6 3 3 2 3 4 3 6 4 11 8 6 3 4 14 38 100 2 4 3 3 2 7 5 4 12 2 3 2 3 3 3 4 3 2 2 2 2 3 2 2 4 3 3 6 10 5 5 6 4 5 4 16 8 2 3 2 2 3 6 5 3 3 4 12 9 3 2 3 3 2 6 10 6 3 2 2 2 2 3 6 3 3 2 3 3 9 4 5 5 9 5 2 3 4 3 3 10 7 8 9 4 2 4 3 3 3 5 4 4 4 25 68 25 1 3 5 11 5 2 8 13 10 5 4 2 2 3 3 1 4 3 4 38 19 29 8 2 2 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 3 3 4 3 3 2 4 2 2 13 4 6 11 30 4 3 1 2 3 2 1 2 2 1 1 2 2 2 2 8 12 2 1 2 3 1 1 2 3 0 2 6 18 69 14 1 2 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 15 96 | 78 77 dd 1H J 15 91 | 75 75 t 1H J 93 | 70 70 s 2H | 39 38 t 1H J 59 | 29 28 m 1H | 28 27 m 2H | 23 22 dddd 1H J 60 79 104 148 | 20 19 dddd 1H J 59 79 106 148 | 19 18 m 2H | 18 16 m 1H | 16 15 m 5H | 14 13 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCCc1cccc(=O)n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1
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ir: 5 3 3 3 3 4 6 14 6 8 3 3 6 21 8 10 5 7 2 3 5 3 2 3 6 12 4 3 4 3 2 3 4 2 3 3 3 3 3 4 4 19 11 32 6 5 6 7 4 6 10 6 47 55 29 4 8 38 22 4 4 3 2 3 3 3 3 2 4 15 4 4 3 4 4 12 4 4 3 3 3 7 3 3 5 8 6 7 36 14 5 3 9 8 3 4 2 3 4 3 5 4 3 4 2 4 6 4 3 4 5 5 1 13 3 6 5 6 5 9 7 7 4 18 10 7 3 2 3 4 2 3 3 2 3 5 56 17 6 10 11 8 7 48 34 6 7 49 6 6 2 4 17 5 4 4 27 19 4 33 100 9 4 0 2 5 3 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 2 2 2 2 2 3 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 4 4 3 3 4 8 6 2 4 5 5 1 5 9 14 8 27 99 55 51 25 6 5 5 3 2 7 6 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 83 dd 1H J 18 83 | 77 77 dd 1H J 17 69 | 77 76 m 1H | 77 76 m 3H | 75 75 dq 2H J 9 81 | 73 73 ddt 1H J 9 71 92 | 65 64 dd 1H J 15 93 | 62 62 dq 1H J 13 71 | 51 50 t 2H J 9 | 28 28 tt 2H J 12 77 | 16 15 m 2H | 14 13 m 2H | 9 9 t 3H J 74
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)c1nn(C2CCCCO2)c(C)c1I
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ir: 2 2 3 3 4 6 3 2 2 3 2 4 5 3 3 2 1 2 4 3 2 1 1 1 1 1 4 3 1 1 1 1 1 2 2 1 1 4 6 4 5 4 2 0 1 3 2 1 4 7 6 3 4 6 8 10 3 8 5 2 1 2 2 5 1 3 2 4 3 2 6 5 5 5 6 7 4 0 3 6 7 10 5 0 2 3 18 9 11 3 1 1 2 1 2 3 3 4 4 11 11 1 1 1 1 3 5 8 17 12 11 15 23 41 28 15 19 15 18 21 10 18 4 11 5 6 28 15 9 5 1 4 5 3 3 3 1 1 1 1 1 1 3 4 7 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 5 3 5 7 2 9 12 9 11 11 5 10 14 27 100 50 7 10 8 2 2 3 3 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 59 59 t 1H J 22 | 44 44 q 2H J 64 | 39 38 ddd 1H J 33 49 104 | 38 37 ddd 1H J 32 49 104 | 26 25 s 2H | 24 23 dddd 1H J 22 54 79 145 | 21 20 dddd 1H J 22 54 78 145 | 20 19 dddt 1H J 53 64 82 105 | 18 17 m 1H | 17 15 m 2H | 14 13 t 3H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Nc1cc2c(cc1Oc1ccc(F)cc1F)C(=O)CC2
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ir: 7 4 11 5 3 6 5 2 1 3 11 8 18 4 7 3 2 3 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 3 1 3 2 2 1 1 2 1 2 1 1 1 2 2 1 1 1 2 1 1 4 8 3 2 1 3 1 2 3 1 1 1 3 9 4 5 2 2 1 1 1 1 1 2 4 2 1 1 1 1 2 1 1 4 2 0 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 4 1 1 1 1 1 1 1 1 2 3 3 2 1 1 2 1 1 1 1 2 1 1 1 1 3 1 1 1 1 1 5 1 1 1 1 1 7 1 2 13 1 1 2 4 2 18 40 7 7 14 28 11 3 0 1 3 2 81 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 5 3 10 18 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 44 3 2 1 1 1 1 1 2 4 4 15 100 9 2 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 s 1H | 72 71 m 1H | 70 69 m 2H | 68 68 t 1H J 9 | 45 44 s 2H | 31 30 ddd 2H J 9 60 66 | 28 28 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COC[C@H](C(=O)O)N1Cc2ccccc2C1
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ir: 5 5 3 2 2 2 3 3 3 3 4 7 5 3 3 8 12 6 5 5 11 37 20 6 2 3 4 3 3 3 4 5 3 2 2 2 3 2 2 3 5 21 23 3 3 3 3 2 2 5 3 2 2 2 2 2 3 3 5 2 2 2 3 2 3 2 7 5 3 2 3 5 6 3 3 3 3 5 36 6 14 6 6 7 4 3 4 5 3 4 3 3 3 4 16 13 5 3 3 2 3 3 2 2 3 2 2 3 3 3 3 2 3 2 2 2 2 2 3 7 6 3 2 3 3 3 5 3 3 2 2 3 4 2 2 2 6 11 5 3 2 3 5 13 4 3 2 2 3 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 5 3 3 3 6 4 4 19 9 6 2 1 3 3 2 0 42 100 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 71 71 s 4H | 40 39 m 3H | 39 39 d 2H J 136 | 38 38 dd 1H J 55 106 | 36 35 dd 1H J 56 105 | 31 30 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C=C1CC(COc2ccc3ccc(=O)oc3c2)(c2ccccc2)OC1=O
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ir: 5 2 2 3 2 2 3 2 3 1 24 15 7 3 3 3 5 5 6 8 4 13 6 3 6 2 2 5 4 3 1 12 7 6 18 33 10 8 39 66 65 32 17 6 7 3 1 3 4 1 7 2 12 42 60 26 13 3 1 3 2 1 5 12 35 19 25 24 16 21 22 5 25 9 7 3 4 3 2 2 2 2 2 2 3 3 3 3 1 3 12 15 9 6 13 8 7 5 6 35 2 3 2 4 3 3 1 2 2 2 1 3 7 2 3 2 8 2 4 3 12 63 16 13 11 12 7 16 18 22 12 14 27 11 17 23 4 2 3 4 4 3 4 11 25 16 12 11 53 55 41 18 10 9 3 7 4 38 84 6 3 3 3 43 10 2 1 0 1 2 1 1 2 3 1 1 2 2 2 0 1 2 1 1 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 3 3 3 2 4 12 3 4 8 17 5 23 93 100 49 21 15 8 5 8 6 3 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 95 | 74 73 m 3H | 73 72 m 2H | 71 70 m 1H | 68 68 m 2H | 63 62 d 1H J 95 | 59 59 dt 1H J 10 21 | 58 57 dt 1H J 9 19 | 47 46 d 1H J 130 | 45 45 d 1H J 132 | 35 34 dt 1H J 10 159 | 32 32 dt 1H J 10 159
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=S(=O)(Cl)c1ccc2c(c1)OCCN2
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ir: 59 54 14 15 34 10 1 26 45 12 7 9 13 4 2 13 26 7 39 23 13 29 50 12 34 8 6 11 11 3 2 12 12 2 6 13 21 29 8 11 10 3 5 12 8 1 6 12 8 1 8 13 11 39 54 25 11 1 8 13 6 2 10 12 25 0 9 20 10 1 10 12 5 1 8 12 4 3 11 12 4 5 37 22 27 15 13 10 4 5 22 11 3 12 11 9 2 5 11 10 1 17 15 8 3 5 12 7 1 6 12 7 3 7 13 9 2 8 12 7 3 26 25 27 31 8 14 6 2 8 11 5 2 8 11 5 3 9 37 37 7 9 11 8 8 42 13 3 4 11 10 24 11 15 10 1 4 12 9 0 5 17 22 3 5 12 7 1 6 12 6 0 6 12 6 0 7 12 5 1 7 11 5 1 8 11 5 2 8 10 4 2 8 10 4 3 9 9 3 3 9 9 3 4 10 9 3 4 10 8 2 4 10 8 2 5 11 7 1 5 11 7 1 6 12 6 1 6 12 6 1 6 11 6 1 7 11 5 2 7 11 5 2 8 10 5 2 8 10 4 3 8 9 4 3 9 9 3 4 9 9 3 4 10 8 3 5 10 9 3 5 10 7 2 6 11 8 2 6 11 7 1 6 13 12 4 17 34 17 5 8 12 6 2 7 11 5 2 8 12 5 2 8 11 8 6 10 20 8 9 20 100 38 13 11 9 5 5 9 8 5 7 12 9 4 5 10 8 3 5 10 7 3 5 10 7 2 6 10 6 2 6 11 6 2 7 10 6 2 7 10 6 3 7 10 6 3 8 9 5 3 8 9 5 4 8 9 4 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 5 10 7 3 6 10 7 2 6 10 6 2; 1HNMR: 77 76 dd 1H J 22 95 | 74 74 d 1H J 21 | 71 71 d 1H J 95 | 53 52 t 1H J 40 | 43 42 m 2H | 36 35 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)c1cnc2c(C(F)(F)F)cccc2c1O
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ir: 5 6 3 4 4 2 2 3 4 6 0 44 11 7 8 35 6 8 6 9 49 27 12 7 10 3 17 17 12 31 100 4 7 13 54 64 22 6 6 1 2 4 4 2 19 36 39 1 4 4 3 2 3 4 22 7 4 54 4 1 3 4 3 2 2 4 2 2 3 3 4 4 4 3 25 8 13 23 46 16 8 9 7 9 15 92 18 4 5 6 3 3 4 7 47 30 16 7 2 20 23 3 2 3 6 7 6 7 35 7 2 3 11 5 1 3 10 22 17 24 5 4 2 3 4 2 1 3 5 28 3 2 3 2 1 3 3 3 1 5 17 4 3 18 21 10 8 28 52 6 91 8 7 5 4 5 3 3 4 5 7 61 5 1 43 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 3 3 5 8 30 10 4 15 67 87 14 4 1 11 38 9 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 88 88 s 1H | 82 82 dd 1H J 12 85 | 81 81 dp 1H J 13 115 | 76 76 dd 1H J 85 114
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCC(NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(C)C)C(=O)c1nc2ccccc2s1
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ir: 8 8 4 5 17 35 6 3 9 9 4 1 2 2 3 1 5 0 0 1 1 0 1 2 2 4 4 2 5 5 20 3 6 2 9 12 11 7 15 22 52 32 26 2 36 14 19 8 13 27 30 3 4 5 1 10 6 19 7 1 3 5 3 2 3 4 2 4 35 41 4 6 5 3 6 14 10 2 15 3 6 3 4 2 6 77 11 7 51 8 8 2 2 1 3 5 3 5 4 3 4 10 5 21 6 23 6 12 15 56 32 6 26 11 7 10 3 10 6 10 3 10 17 22 34 17 5 9 20 16 17 10 9 6 25 23 7 5 2 2 3 4 37 30 12 53 33 17 8 12 3 3 4 2 2 0 1 1 1 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 3 3 2 2 2 3 8 5 13 8 4 6 5 5 14 33 55 15 16 27 22 7 6 4 1 4 2 2 1 1 2 2 2 3 5 2 5 20 100 34 23 24 35 7 15 5 3 2 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 15 73 | 80 79 dd 1H J 14 69 | 78 78 d 1H J 86 | 75 74 td 1H J 15 73 | 74 74 m 5H | 74 73 m 1H | 48 48 dt 1H J 59 84 | 47 47 dd 1H J 82 95 | 43 42 m 2H | 40 39 dt 1H J 76 95 | 34 33 dd 1H J 75 154 | 31 30 m 2H | 21 20 dq 1H J 63 138 | 18 17 dq 1H J 62 138 | 16 14 ttd 1H J 64 73 136 | 14 13 ttd 1H J 64 74 137 | 12 11 d 3H J 57 | 11 10 d 3H J 57 | 10 9 t 3H J 73
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)CCSc1ccccc1F
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ir: 1 1 1 1 1 3 8 5 7 5 4 18 10 28 22 7 20 11 25 71 97 21 41 19 12 5 3 1 2 2 1 2 1 1 2 1 2 3 4 4 4 5 7 27 3 1 3 2 3 3 1 2 2 1 1 3 2 1 1 2 1 1 1 1 2 0 2 2 2 2 2 3 1 1 14 12 28 50 100 39 30 31 9 13 19 14 3 2 1 1 1 1 1 2 1 2 1 2 2 1 2 1 1 1 1 1 9 25 3 2 1 1 2 1 1 1 1 1 5 6 5 1 1 1 2 1 1 1 1 1 3 3 4 2 2 1 10 3 13 1 4 8 10 91 8 4 0 37 7 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 1 1 1 1 1 3 5 5 4 4 53 11 2 1 0 1 1 3 1 2 41 39 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 72 m 3H | 71 71 ddd 1H J 14 72 103 | 32 31 t 2H J 65 | 26 26 t 2H J 65
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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N#Cc1ccc(-c2nc3c(s2)NCCCC3)cc1
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ir: 0 1 2 1 2 6 7 2 2 8 8 7 7 5 1 5 5 3 3 5 3 3 3 2 6 8 11 16 17 8 4 1 2 5 5 9 7 12 7 8 20 12 12 10 14 7 5 2 2 11 8 3 5 9 17 19 34 13 25 16 10 10 20 15 13 23 5 9 5 14 4 3 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 4 8 5 4 6 6 3 2 2 4 3 4 12 5 1 1 1 1 2 2 2 2 17 49 100 43 8 5 8 8 21 13 3 10 2 3 5 18 7 8 2 2 2 1 2 5 2 10 4 1 1 1 1 1 1 2 2 0 1 7 62 8 3 7 3 1 2 1 1 0 1 1 1 1 1 16 1 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 3 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 3 2 1 3 2 8 9 10 8 7 5 2 3 2 5 22 39 16 39 35 39 14 9 3 4 3 1 1 2 2 1 1 2 2 2 2 3 14 30 23 15 3 2 2 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1; 1HNMR: 80 79 m 2H | 78 77 m 2H | 59 59 t 1H J 49 | 35 34 q 2H J 51 | 28 27 m 2H | 18 17 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cn1ccc2c3nc(-c4ccc(C(=O)O)cc4)nc(N4CCOCC4)c3ccc21
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ir: 1 5 5 2 2 2 3 2 1 3 3 4 3 5 4 3 6 8 5 5 9 39 67 4 4 15 6 3 4 5 3 3 5 6 3 3 37 24 4 1 1 3 2 1 1 2 2 1 2 3 4 18 5 5 2 3 9 5 2 1 2 2 1 1 3 2 2 4 2 4 2 1 4 5 3 8 23 6 12 6 2 3 5 1 3 9 3 3 4 6 1 2 2 2 2 2 3 8 6 3 9 9 2 1 2 2 1 3 5 2 0 1 3 3 1 14 2 2 2 2 3 1 2 8 8 4 1 4 2 1 3 2 2 1 1 3 3 1 2 53 8 27 8 6 6 5 3 2 4 5 14 11 4 2 7 5 2 1 3 100 1 2 1 0 1 36 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 2 2 1 5 5 12 25 10 10 6 10 5 5 2 1 32 17 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 m 3H | 80 80 m 2H | 77 77 d 1H J 80 | 73 73 m 1H | 70 70 d 1H J 55 | 39 38 m 4H | 37 37 s 2H | 37 36 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)[C@@H]1C[C@H]1c1nnc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cn12
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ir: 9 5 6 6 5 6 3 3 2 3 8 3 2 4 3 4 2 3 3 6 2 2 3 1 3 2 2 1 3 3 3 5 9 5 11 9 17 8 4 3 16 12 23 12 5 4 4 4 4 30 3 4 3 7 8 55 8 2 2 2 2 2 1 2 2 2 1 2 2 5 2 2 1 3 3 2 2 3 3 3 1 2 3 3 3 9 33 41 15 6 3 1 2 6 4 2 3 4 1 8 12 3 3 2 2 1 2 1 2 2 1 2 4 6 3 1 2 3 2 2 3 2 1 1 4 6 3 6 2 2 1 2 5 3 2 8 3 2 2 7 8 9 16 11 15 6 7 6 15 5 13 8 14 4 2 2 2 1 1 2 2 5 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 3 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 2 1 3 6 5 5 8 18 73 81 26 5 14 7 5 12 6 22 100 2 5 6 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 d 1H J 15 | 82 81 dd 1H J 13 82 | 78 78 d 1H J 62 | 77 77 m 2H | 77 76 d 1H J 82 | 72 71 m 3H | 35 34 ddd 1H J 60 71 101 | 28 27 ddd 1H J 70 79 101 | 18 17 dt 1H J 71 86 | 16 15 ddd 1H J 61 79 86
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C=CCc1c(OC)cc(Cl)cc1C(=O)O
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ir: 1 0 0 1 0 0 0 0 1 1 1 4 4 1 1 4 2 2 2 2 4 10 23 33 15 6 5 3 4 2 1 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 3 5 5 2 1 5 6 3 2 2 3 10 47 3 1 2 1 1 0 1 1 1 1 1 2 3 3 1 0 1 1 2 3 1 0 0 1 0 0 0 0 0 0 0 0 2 1 0 1 1 1 4 2 2 4 5 4 3 1 0 0 1 1 1 1 0 0 0 1 1 3 2 1 1 2 1 2 2 3 12 5 3 4 1 1 0 0 1 0 0 7 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 3 2 12 18 4 2 3 2 1 1 3 3 23 100 24 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 22 | 70 70 d 1H J 20 | 59 58 ddt 1H J 78 110 165 | 51 50 m 1H | 51 50 m 1H | 39 39 s 2H | 37 36 dt 2H J 15 78
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COC(=O)c1ccc(O)cc1Nc1ccc(F)cc1
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ir: 5 6 10 4 5 5 5 7 14 12 18 15 6 5 5 4 7 4 4 6 4 6 5 4 4 4 25 11 19 5 5 5 5 4 5 5 6 15 24 9 5 3 3 5 7 3 4 5 3 3 4 6 5 11 10 12 73 4 3 5 4 3 4 5 4 3 4 5 5 10 15 5 3 3 5 16 10 13 11 4 2 21 16 5 11 8 5 9 4 4 5 3 4 4 3 3 4 6 5 4 4 5 3 3 5 4 19 4 3 4 5 4 2 19 8 7 4 4 5 4 4 5 5 6 5 4 4 6 7 4 4 3 3 6 14 5 4 3 3 4 3 3 3 5 13 4 3 4 25 6 9 4 13 7 4 8 15 85 11 3 4 4 11 10 22 7 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 3 3 3 4 3 4 3 4 3 3 4 3 3 4 5 4 3 4 10 9 38 21 10 4 3 5 8 5 100 29 0 5 5 5 2 4 5 3 3 4 7 4 4 8 23 23 20 16 16 10 6 5 4 3 3 5 4 4 3 5 4 3 3 4 3 4 3 3 3 3 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 79 78 d 1H J 88 | 78 78 s 1H | 73 72 m 5H | 67 66 d 1H J 20 | 66 66 dd 1H J 21 89 | 51 51 s 1H | 39 38 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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OCc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1
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ir: 6 4 4 6 4 5 2 4 2 3 1 3 5 3 1 2 3 2 2 4 4 3 3 5 4 15 9 14 14 9 5 6 9 10 18 13 58 20 5 10 11 11 6 46 27 9 3 3 3 3 3 7 7 11 13 13 5 7 6 4 6 1 3 3 3 2 2 4 11 16 9 4 4 2 3 3 3 5 6 6 10 25 24 23 27 85 15 19 29 38 8 15 9 7 6 6 7 8 10 9 7 8 4 6 2 3 4 2 2 2 4 4 4 3 3 3 5 6 5 10 10 11 9 16 15 16 8 6 11 6 8 9 9 12 26 18 11 10 7 12 13 35 29 14 12 6 6 3 3 23 58 9 13 3 3 4 2 1 3 6 24 100 7 0 2 6 3 1 1 3 2 0 1 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 3 3 2 2 3 4 4 3 4 2 3 3 3 7 11 16 62 27 36 28 9 6 6 5 12 52 42 9 5 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 83 dd 1H J 12 86 | 81 80 m 2H | 78 77 ddd 1H J 13 78 90 | 76 75 ddd 1H J 13 78 90 | 74 73 ddt 1H J 10 18 87 | 72 71 m 5H | 67 67 d 1H J 87 | 48 47 dt 2H J 9 60 | 45 44 d 1H J 9 | 43 42 t 1H J 61 | 40 39 m 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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NCCc1ccc(C(=CCCCC(=O)O)c2cccnc2)cc1
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ir: 0 4 8 7 4 5 8 6 10 5 9 13 15 12 22 17 9 28 36 23 100 45 59 16 11 2 4 5 7 3 5 5 7 41 5 5 6 4 3 8 7 6 5 9 16 3 4 6 5 8 11 6 8 14 14 71 49 19 20 16 6 10 15 7 9 9 8 6 7 20 41 28 14 7 8 9 57 30 34 31 34 29 8 11 15 12 8 9 4 4 3 4 4 10 7 4 4 3 5 3 3 3 3 3 4 3 2 3 6 5 10 14 32 15 4 4 5 6 10 11 17 12 10 13 6 4 15 8 8 6 13 12 18 54 49 20 14 9 11 9 9 12 11 8 9 8 8 5 18 6 5 5 17 6 3 8 3 2 3 2 4 4 4 3 3 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 4 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 4 3 3 2 3 3 4 4 6 10 15 6 19 25 30 6 4 2 3 4 3 3 5 27 47 28 9 13 20 42 12 11 11 7 4 12 36 15 8 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 2 2 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 ddd 1H J 15 26 49 | 87 86 t 1H J 17 | 78 77 m 1H | 75 74 m 2H | 73 73 dd 1H J 48 78 | 72 72 dp 2H J 9 79 | 64 63 tt 1H J 9 59 | 29 28 m 2H | 28 27 m 2H | 26 26 t 2H J 66 | 26 25 td 2H J 59 79 | 24 23 t 2H J 95 | 19 17 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1ccc(CNc2nccc3ccc(C(=O)O)cc23)cc1
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ir: 11 5 5 5 2 2 2 1 1 1 4 4 7 7 3 4 5 8 15 10 6 45 19 6 2 2 1 2 4 9 1 2 3 1 1 2 1 2 1 2 1 3 2 2 1 1 2 1 7 8 2 6 7 5 13 4 11 1 1 2 2 1 2 2 1 1 1 2 2 3 4 8 4 3 3 2 22 15 13 15 2 1 1 1 1 2 2 6 2 1 1 1 1 1 1 2 2 9 5 4 1 1 1 1 2 1 1 1 1 1 8 4 1 1 2 4 3 3 8 3 3 2 3 4 2 3 6 7 2 1 1 1 1 1 1 1 2 3 4 2 1 2 6 52 20 8 6 4 3 8 2 2 3 5 1 1 1 1 8 6 1 1 2 1 1 1 1 1 19 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 9 28 18 2 3 1 2 1 1 0 14 100 18 4 1 0 1 1 1 1 1 2 2 5 7 4 32 15 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 m 1H | 83 82 d 1H J 48 | 81 80 dd 1H J 14 84 | 80 79 m 1H | 75 75 m 1H | 74 73 dt 2H J 9 84 | 69 68 m 3H | 49 48 dt 2H J 9 55 | 38 38 s 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cc2c(s1)Oc1ccc(Cl)cc1NC2=O
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ir: 3 5 4 3 7 9 3 2 2 5 3 3 5 4 5 4 4 3 3 2 3 19 30 3 2 3 4 10 7 3 16 5 3 4 8 3 3 3 4 4 12 4 5 6 4 7 100 88 17 5 5 5 4 21 39 8 3 7 14 7 3 4 4 3 3 3 5 56 10 4 3 6 3 5 4 6 8 9 3 2 3 3 2 4 9 3 2 3 6 7 48 5 3 3 5 4 3 5 5 4 13 30 3 4 14 3 2 2 3 3 2 2 4 12 12 6 3 3 3 5 4 3 4 8 5 3 5 9 5 4 9 29 49 3 3 3 3 2 2 3 4 19 5 8 4 3 3 3 4 45 4 4 6 5 5 9 28 44 92 11 4 14 45 10 4 0 3 5 3 1 3 4 2 1 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 3 3 3 3 3 3 5 3 3 3 3 3 3 6 20 6 33 38 20 27 7 4 4 4 3 4 4 3 3 3 4 3 3 3 3 3 7 4 5 15 85 39 13 8 5 5 3 2 3 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 75 d 1H J 22 | 73 73 s 1H | 72 72 dd 1H J 22 86 | 69 68 d 1H J 85 | 24 24 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1c2n(c3c(-c4ccc(C(C)(C)C)cc4)cc(C#N)cc13)CCNC2=O
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ir: 1 1 2 1 1 3 3 2 2 3 3 1 0 4 3 3 0 2 3 2 6 21 5 17 31 4 9 7 8 6 3 2 2 8 3 0 27 3 2 2 1 5 10 23 21 5 2 1 2 3 2 1 4 3 4 24 14 4 6 3 4 6 9 4 2 3 2 5 17 12 3 1 2 2 1 1 2 2 1 1 3 5 1 1 1 1 1 0 1 2 5 2 2 2 2 1 2 2 1 3 2 2 0 10 2 2 1 12 2 1 1 2 8 4 5 2 5 5 6 9 4 3 4 7 8 22 2 3 6 4 13 3 6 2 0 7 4 1 1 2 2 0 1 3 2 1 1 2 15 14 3 18 3 6 4 5 4 100 7 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 0 1 4 3 3 18 5 14 55 21 10 3 3 1 2 1 1 2 2 2 1 1 1 1 1 2 2 1 1 3 4 2 4 26 9 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 d 1H J 20 | 80 80 d 1H J 22 | 77 76 m 2H | 73 73 m 2H | 57 56 t 1H J 28 | 43 42 m 2H | 37 36 m 2H | 27 27 s 3H | 14 13 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(OS(=O)(=O)C(F)(F)F)c3n2)COC1
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ir: 5 7 9 4 3 2 4 4 15 16 4 3 3 2 2 2 3 2 3 3 2 7 3 3 2 4 7 2 0 3 3 1 1 1 1 0 1 14 1 3 2 2 3 4 21 16 3 3 6 10 9 21 23 29 14 11 11 3 2 1 2 1 6 3 6 7 8 8 17 15 62 5 7 4 2 1 4 3 4 1 1 15 3 3 4 12 100 3 17 7 1 3 4 5 8 12 19 29 27 6 35 4 2 1 3 4 1 2 5 5 0 1 7 3 0 2 2 3 5 3 5 1 0 2 2 1 1 1 2 0 1 2 3 1 3 2 8 18 2 2 2 0 1 3 4 7 5 56 10 2 2 5 15 16 10 16 17 5 4 26 1 2 2 12 1 10 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 1 0 1 1 2 5 11 20 22 82 41 17 4 6 3 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H | 83 83 d 1H J 65 | 80 79 d 1H J 67 | 79 78 d 1H J 86 | 76 75 dd 1H J 8 86 | 75 74 t 1H J 87 | 73 73 dd 1H J 9 88 | 72 72 d 1H J 20 | 70 70 dd 1H J 22 84 | 41 41 s 2H | 39 39 d 2H J 101 | 37 36 d 2H J 101 | 10 9 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)c1cc2cc(O)ccc2s1
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ir: 5 4 4 5 35 5 4 5 4 7 12 15 9 12 15 23 20 4 9 5 4 67 100 24 10 4 4 6 6 3 3 6 6 3 3 5 4 3 3 5 4 2 4 4 4 3 5 7 4 3 5 8 8 21 5 7 5 3 4 5 5 3 4 5 4 5 12 14 8 3 4 4 4 3 6 6 12 30 73 20 15 18 21 15 19 6 8 13 22 5 5 5 2 3 5 5 4 4 5 4 3 4 5 4 2 3 6 6 7 14 6 6 1 3 6 3 2 4 7 4 16 32 4 4 6 4 4 3 3 4 4 3 3 4 4 3 3 4 5 6 4 4 4 4 4 8 11 14 7 15 14 3 3 4 4 3 3 4 4 2 3 5 9 5 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 3 4 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 5 8 5 3 4 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 7 7 15 3 7 6 3 0 9 24 46 12 4 2 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 4 6 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 80 80 d 1H J 21 | 80 80 d 1H J 82 | 77 77 s 1H | 74 74 t 1H J 22 | 69 68 dd 1H J 21 83
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCCN(C(C)=O)c1cccc2c1CCC(N(CCC)CCC)C2
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ir: 5 5 4 2 5 2 2 2 2 2 3 7 8 11 7 3 2 4 16 10 1 2 4 5 6 5 15 7 3 4 3 8 13 4 3 2 5 3 1 1 4 4 5 5 23 9 11 4 1 4 3 2 2 4 4 2 2 8 4 4 4 5 6 4 7 8 4 1 4 14 21 10 8 6 3 3 2 1 1 2 2 3 6 10 25 8 4 1 5 7 24 35 10 5 3 2 5 2 3 3 6 4 3 2 6 2 2 4 11 12 4 6 5 4 8 13 11 7 16 8 10 8 4 4 3 3 7 8 40 12 16 10 5 4 3 2 3 8 5 5 9 20 6 3 4 3 46 4 1 15 3 3 1 1 1 0 1 29 4 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 3 2 3 4 2 6 6 6 6 3 7 4 3 10 14 24 15 3 100 34 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 m 1H | 71 70 dd 1H J 11 77 | 69 69 dq 1H J 10 84 | 37 37 t 2H J 65 | 30 29 m 2H | 29 28 m 2H | 27 26 m 3H | 26 25 dt 2H J 66 121 | 21 20 ddt 1H J 59 84 121 | 21 20 s 2H | 19 18 ddt 1H J 59 83 120 | 17 16 p 2H J 67 | 16 14 m 4H | 15 13 hept 2H J 69 | 10 10 t 3H J 74 | 10 9 t 6H J 76
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C[C@@H](OC(=O)Nc1cnnn1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1
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ir: 6 3 1 4 2 6 3 3 2 3 3 1 4 4 9 3 4 5 13 10 19 8 14 7 4 5 4 6 4 3 3 11 1 4 4 3 1 4 3 1 5 7 5 7 3 8 4 82 13 1 4 2 2 5 19 10 3 7 1 3 1 2 1 3 3 1 5 1 4 6 19 7 2 2 6 3 3 6 24 9 5 3 1 2 4 3 1 3 4 8 4 3 1 2 2 8 3 3 3 2 2 1 0 2 3 1 0 1 1 1 0 2 2 1 1 3 6 4 2 3 4 3 8 6 5 2 4 3 5 10 19 6 3 1 3 4 5 11 4 2 2 1 2 14 10 13 17 20 10 5 35 7 20 3 2 1 1 1 2 4 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 3 4 2 4 8 16 26 12 12 6 3 5 7 3 9 45 100 9 2 2 3 1 1 1 2 1 1 1 1 4 4 16 12 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 88 s 1H | 81 81 s 1H | 77 77 m 4H | 75 75 m 2H | 74 73 m 7H | 60 60 qd 1H J 9 59 | 17 16 m 5H | 14 14 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CS(=O)(=O)CCn1c(COS(C)(=O)=O)cc2nc(Cl)ccc21
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ir: 7 9 0 54 10 6 3 3 3 3 3 3 4 3 4 3 3 3 2 2 3 2 2 3 3 2 2 3 3 4 3 2 2 3 5 19 5 2 3 3 4 3 5 8 4 6 8 17 5 2 6 11 31 21 4 2 3 9 9 5 4 2 3 7 4 4 3 4 3 16 52 3 45 14 5 2 5 5 5 3 5 4 2 3 7 37 100 69 28 2 8 32 7 3 3 3 3 4 5 4 7 53 50 16 24 5 4 3 2 3 4 4 3 4 4 3 3 4 4 13 13 16 27 9 4 3 3 4 3 3 3 4 7 14 19 6 4 4 5 2 2 3 3 3 2 3 3 2 2 3 4 11 17 3 4 10 3 4 3 2 19 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 4 9 4 3 3 4 3 5 5 5 4 4 5 7 27 29 8 20 14 20 19 4 5 4 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 77 76 d 1H J 82 | 73 72 d 1H J 79 | 66 66 q 1H J 7 | 50 49 d 2H J 9 | 43 42 t 2H J 80 | 33 33 t 2H J 81 | 32 31 s 3H | 31 30 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C=C(c1cc(OCc2ccc(OC)cc2)ccc1-c1cc(OC)ccc1F)C(C)(C)C
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ir: 1 2 2 1 4 2 2 5 1 2 4 2 2 2 2 1 1 2 2 3 1 2 1 1 1 1 1 1 1 3 1 1 2 3 3 2 4 7 2 1 1 1 1 3 1 1 1 0 1 3 5 2 14 28 49 29 10 6 4 4 7 8 8 13 3 5 4 7 12 44 8 5 19 10 22 7 2 2 2 1 1 1 0 1 3 1 6 5 5 2 3 3 5 3 3 2 2 9 2 1 2 1 1 1 0 1 0 1 1 1 1 1 1 1 0 1 3 3 2 4 3 3 3 5 2 4 5 6 4 3 3 2 5 1 1 1 2 5 11 7 3 1 1 4 2 1 2 17 37 43 7 4 15 16 8 3 5 7 6 2 3 3 4 7 1 1 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 5 5 3 6 18 10 13 100 21 23 7 18 6 11 6 8 5 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 20 85 | 73 73 dt 2H J 9 83 | 73 72 dd 1H J 83 102 | 71 71 dd 1H J 27 35 | 70 69 m 2H | 69 69 m 4H | 52 51 d 1H J 22 | 51 51 d 1H J 22 | 50 49 d 2H J 9 | 39 38 s 3H | 38 38 s 3H | 12 11 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)c1c(C)cc(N2CCOCC2)cc1C1CC1
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ir: 6 5 5 5 1 7 6 7 3 13 6 5 3 2 3 3 3 1 3 4 2 3 2 2 2 8 9 3 5 9 5 5 7 5 5 2 3 15 9 8 3 11 6 2 3 3 2 1 4 4 3 8 6 4 2 1 6 4 2 0 1 3 3 3 6 3 16 14 20 17 11 22 44 44 25 6 2 3 1 6 5 2 0 2 3 16 29 14 3 2 8 3 3 3 2 3 4 5 15 4 2 2 7 3 2 6 9 5 30 100 76 12 16 10 11 5 4 8 5 4 4 2 2 4 4 3 4 4 6 8 3 4 4 5 4 5 19 4 2 2 1 1 3 4 4 7 12 14 14 23 13 8 3 2 1 8 17 13 3 2 3 4 3 37 21 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 2 2 3 3 2 6 4 2 8 3 3 1 6 36 18 21 23 7 25 18 14 11 27 18 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 68 68 d 1H J 23 | 67 67 d 1H J 25 | 44 43 q 2H J 64 | 39 38 m 4H | 34 33 m 4H | 32 31 pd 1H J 7 59 | 24 24 s 2H | 14 14 t 3H J 64 | 11 10 m 2H | 8 7 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1ccc(Nc2nc(-c3ccc4scnc4c3)cn3ccnc23)cc1OC
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ir: 4 1 2 2 6 6 0 8 6 4 9 4 4 2 1 6 10 10 16 9 14 21 47 19 7 9 21 24 8 11 2 4 7 1 1 2 2 5 12 5 8 12 2 10 35 7 5 30 6 0 4 5 8 14 27 7 32 5 6 14 9 4 3 7 10 15 40 17 38 17 6 4 3 6 7 7 2 2 3 12 1 1 3 16 5 3 2 6 7 11 13 13 11 9 7 6 2 8 15 60 10 3 21 14 4 5 6 10 16 10 3 2 1 2 2 6 1 7 5 6 15 12 10 27 18 10 20 31 2 7 3 2 3 2 3 1 1 2 6 8 3 13 23 17 10 7 24 4 2 3 43 26 16 18 9 29 6 4 2 0 19 3 1 3 32 6 6 3 1 2 1 0 2 3 1 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 2 2 1 1 3 2 3 2 2 2 1 1 3 3 1 3 6 3 8 53 87 100 28 79 94 45 21 17 4 6 3 2 2 2 2 2 2 4 1 1 2 2 1 2 2 1 7 11 31 33 14 6 3 3 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 93 93 s 1H | 90 90 s 1H | 83 83 d 1H J 22 | 80 80 s 1H | 80 80 dd 1H J 22 79 | 79 78 d 1H J 79 | 76 75 d 1H J 46 | 72 72 m 2H | 72 71 d 1H J 21 | 69 68 d 1H J 85 | 39 39 s 3H | 39 38 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Clc1ccc2c(c1)C(=CCCBr)c1ccccc1CC2
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ir: 1 1 3 2 1 15 12 2 6 2 1 1 2 1 2 1 1 1 1 1 1 3 3 3 2 2 4 1 1 1 1 1 2 3 2 1 1 1 1 0 2 6 26 30 4 0 1 2 2 1 19 6 6 5 54 8 4 4 1 1 2 2 2 3 4 24 5 1 2 6 36 6 1 2 2 4 12 2 1 1 1 4 6 2 6 2 1 1 8 13 4 21 4 2 3 5 5 4 1 2 2 1 1 3 5 19 2 3 1 1 1 4 2 6 10 10 4 2 2 5 5 5 3 3 3 4 2 2 13 1 1 1 2 1 1 1 3 20 5 2 3 23 4 19 1 3 2 4 100 25 4 3 6 6 6 1 1 1 1 1 17 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 7 5 5 3 1 4 4 2 24 10 8 27 85 65 13 7 4 2 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 71 m 6H | 71 70 d 1H J 84 | 64 63 tt 1H J 10 61 | 36 35 td 2H J 9 44 | 30 30 dt 2H J 44 60 | 30 29 s 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(Nc1ccnc(Nc2nccs2)c1)c1c(Cl)cccc1Cl
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ir: 0 1 3 4 2 1 2 1 0 1 1 1 2 1 2 2 4 11 3 11 1 2 4 1 1 2 2 1 1 1 1 1 3 7 4 14 6 6 4 2 2 2 2 2 2 5 40 4 2 2 2 1 1 1 1 1 4 1 1 2 1 1 1 0 1 3 2 3 1 1 3 1 2 3 4 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 9 2 1 1 1 1 1 1 5 5 2 1 1 1 1 0 2 2 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 9 1 1 1 1 1 1 2 3 3 1 2 22 12 6 3 1 2 3 6 1 2 1 1 3 22 4 1 1 1 1 1 5 100 8 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 4 11 16 11 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 7 11 7 12 2 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H | 93 92 s 1H | 81 81 d 1H J 45 | 75 75 dd 1H J 68 93 | 75 74 dd 2H J 13 80 | 72 72 d 1H J 46 | 72 72 dd 1H J 22 46 | 68 68 d 1H J 22 | 67 66 d 1H J 44
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cc(CCl)cnc1Cl
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ir: 8 4 0 4 8 8 1 9 6 4 2 5 8 3 1 5 7 4 1 6 7 2 1 5 7 3 3 9 7 6 6 10 23 9 18 39 15 6 12 9 9 8 11 10 11 3 6 8 5 1 4 8 4 2 6 10 9 1 6 10 7 1 5 12 8 4 8 10 5 4 8 12 5 2 5 7 3 1 5 6 4 7 16 16 6 4 9 12 11 8 7 6 3 5 15 9 2 3 7 5 2 7 10 6 1 4 9 6 6 5 10 6 0 5 8 4 0 6 10 6 4 9 16 7 26 61 100 38 17 18 26 7 3 5 6 3 2 6 6 3 3 6 15 14 10 20 6 2 3 6 6 2 7 22 18 7 4 6 6 12 9 7 4 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 2 2 5 6 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 3 4 7 5 3 6 11 8 3 5 8 8 2 18 16 13 13 21 15 19 3 6 7 5 4 5 6 4 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2; 1HNMR: 83 83 dt 1H J 8 18 | 75 75 p 1H J 8 | 47 46 t 2H J 8 | 24 23 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CSCCNC(=O)OC(C)(C)C
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ir: 15 17 25 5 6 6 1 3 3 7 9 6 7 2 0 2 2 2 1 2 2 2 5 9 26 10 31 79 75 49 27 13 21 24 18 7 10 8 6 3 2 2 4 5 2 3 1 1 2 1 2 1 1 3 2 1 2 6 5 1 2 5 2 2 3 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 3 2 5 4 5 7 2 2 2 1 6 3 7 12 15 12 6 10 7 9 17 11 14 25 28 13 14 28 8 51 37 14 3 14 7 16 10 7 5 3 1 2 1 1 1 3 4 4 22 49 56 45 33 38 28 100 56 5 2 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 4 3 3 5 3 2 3 2 8 6 6 5 5 16 19 11 6 2 1 1 2 1 1 1 1 1 1 3 2 1 1 2 1 1 1 1 2 2 10 8 43 50 58 55 18 4 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 53 52 t 1H J 42 | 34 33 q 2H J 44 | 27 27 t 2H J 46 | 20 20 s 3H | 14 14 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1ccc(F)c2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1
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ir: 10 6 3 11 4 2 1 2 1 3 3 5 3 6 16 3 2 2 3 2 4 5 5 5 3 4 6 2 10 16 16 12 13 4 3 4 4 2 3 3 6 3 3 7 5 6 7 6 4 2 6 8 6 7 26 12 9 8 7 9 8 3 3 5 36 7 4 3 6 5 5 3 3 3 3 2 9 9 20 4 3 3 1 29 2 1 5 100 41 4 7 3 2 1 1 2 2 6 3 4 2 4 16 3 6 17 4 2 3 2 3 2 0 52 2 3 4 4 4 11 10 6 4 5 14 4 3 5 4 2 2 2 2 1 1 2 3 5 4 6 13 9 4 7 8 50 36 14 10 4 11 5 5 1 2 4 7 2 1 2 12 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 3 3 2 5 4 5 5 9 27 11 11 7 3 3 3 2 1 1 2 1 2 1 1 2 2 2 2 3 5 3 4 8 22 26 88 17 1 3 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 s 1H | 74 74 d 1H J 77 | 73 72 m 6H | 71 71 tt 1H J 9 22 | 71 70 d 1H J 77 | 69 69 dd 1H J 48 77 | 55 55 d 2H J 9 | 44 44 dt 2H J 9 60 | 39 39 s 2H | 20 20 s 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C[C@@H]1CCCN(C(=O)c2cccc(F)c2-c2ncccn2)[C@@H]1CNc1ncc(C(F)(F)F)cn1
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ir: 2 2 3 2 1 2 2 2 2 2 2 2 6 2 2 2 3 4 13 2 6 13 5 4 3 7 66 27 13 6 7 6 5 4 6 4 3 6 4 14 10 4 5 7 7 4 3 8 22 16 42 11 13 29 44 83 54 8 3 11 3 3 2 3 3 1 11 1 2 2 1 2 6 2 3 5 4 5 5 2 2 4 2 2 1 1 1 1 2 3 2 5 10 3 2 5 8 6 2 33 4 4 4 3 2 3 8 6 7 2 3 4 4 13 9 4 5 9 68 33 6 7 5 3 4 5 23 11 20 12 7 5 16 5 2 4 5 5 5 11 13 44 45 12 9 6 20 27 34 25 13 10 9 100 51 13 16 4 11 37 15 5 3 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 1 2 2 4 2 3 3 7 8 11 13 24 9 6 3 1 1 1 2 1 1 2 1 1 2 1 2 2 3 4 4 3 4 40 35 28 30 34 17 11 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 2H J 40 | 86 86 q 2H J 12 | 77 76 dd 1H J 14 79 | 76 75 td 1H J 51 79 | 73 72 ddd 1H J 14 79 102 | 71 71 t 1H J 40 | 64 63 t 1H J 55 | 40 39 dd 2H J 55 76 | 38 38 ddd 1H J 34 59 121 | 36 35 ddd 1H J 34 60 121 | 35 34 dt 1H J 76 83 | 22 20 m 1H | 19 17 m 3H | 16 15 ddt 1H J 66 92 129 | 9 9 d 3H J 76
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCSCCOC(=O)/C=C(/C)N
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ir: 3 4 7 19 15 17 11 11 14 5 4 9 7 9 4 2 4 6 5 4 3 4 6 3 6 5 8 4 20 13 10 24 20 12 13 12 13 15 6 12 4 10 9 8 5 6 8 7 4 3 2 4 4 4 2 5 4 2 4 6 2 2 3 5 4 3 4 3 2 2 4 2 2 3 5 9 12 13 13 14 11 34 19 7 7 2 4 3 0 1 2 2 1 1 2 2 1 1 2 3 2 3 11 5 3 3 2 4 4 3 3 4 0 3 6 2 1 3 6 6 1 3 3 2 1 5 14 4 5 4 3 2 1 2 1 1 2 2 3 2 1 2 2 2 2 6 18 9 9 12 21 51 85 100 61 15 14 10 26 13 5 4 2 2 2 1 2 1 1 2 1 1 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 0 2 2 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 3 3 1 2 3 3 3 5 3 2 1 6 10 12 18 16 12 2 1 4 4 2 2 3 3 3 3 3 4 2 3 4 4 11 17 30 11 2 3 1 3 2 2 3 4 8 24 66 16 2 2 3 2 2 2 2 2 1 1 2 2 1 2 3 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 86 s 2H | 44 44 q 1H J 13 | 43 42 t 2H J 47 | 28 27 t 2H J 47 | 25 25 q 2H J 61 | 19 18 d 3H J 13 | 13 12 t 3H J 61
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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N#Cc1cccc(CCOCCc2ccsc2)c1
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ir: 1 8 13 5 0 7 14 14 3 8 11 16 22 8 11 8 6 9 10 4 5 10 10 7 9 9 9 3 6 12 9 4 7 32 45 53 5 11 8 3 5 10 20 53 18 39 13 20 31 21 7 3 7 12 11 3 33 25 9 0 6 14 9 1 12 13 5 34 19 16 7 2 11 17 5 2 8 10 6 6 10 10 4 3 9 9 4 9 66 13 3 5 10 16 16 22 14 16 26 7 13 9 1 5 11 7 0 5 12 9 4 6 13 9 0 6 11 6 1 8 13 6 3 8 11 6 10 20 17 6 5 13 13 26 18 11 11 5 5 23 36 5 5 9 10 3 4 9 8 2 4 13 16 13 10 13 9 1 5 13 7 1 4 11 6 1 5 11 6 0 5 11 5 0 6 11 5 0 6 10 5 1 9 11 4 1 7 9 4 2 7 9 4 2 8 9 3 3 8 8 3 3 8 8 2 4 9 7 2 4 9 7 2 4 9 7 1 4 10 6 1 5 10 6 1 5 10 5 0 6 10 5 1 6 10 5 1 6 9 4 2 6 9 4 2 7 9 4 2 7 8 3 3 7 8 3 3 8 7 3 3 8 7 3 4 8 7 3 5 9 6 3 7 11 8 4 7 15 7 4 8 11 8 13 18 15 17 100 37 32 65 22 12 16 6 2 8 10 6 2 7 9 4 2 7 9 4 2 7 8 3 3 8 8 3 3 8 7 3 4 8 7 2 4 9 7 2 4 9 6 2 4 9 6 2 5 9 6 1 5 10 5 1 5 10 5 1 6 9 5 2 6 9 5 2 6 9 4 2 7 8 4 3 7 8 4 3 7 8 3 3 7 7 3 4 8 7 3 4 8 7 3 4 8 6 2 4 8 6 2 5 9 6 2 5 9 6 2 5 9; 1HNMR: 76 76 ddd 1H J 12 21 66 | 75 74 t 1H J 67 | 73 73 td 1H J 10 21 | 73 72 ddq 1H J 10 20 68 | 72 72 dd 1H J 16 53 | 71 70 tt 1H J 9 18 | 69 68 ddt 1H J 9 17 53 | 36 36 dt 4H J 56 109 | 28 28 tt 2H J 8 58 | 27 27 tt 2H J 9 54
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1
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ir: 0 2 2 3 9 6 2 4 6 13 17 43 11 9 4 1 2 1 6 4 2 0 1 0 1 1 1 1 1 1 2 1 5 2 2 1 4 4 3 45 13 9 31 7 6 4 3 6 4 6 2 3 5 2 3 8 10 12 1 3 2 2 2 2 1 1 3 2 1 5 2 2 1 3 2 1 1 1 1 6 14 4 2 2 3 8 2 4 2 4 8 3 2 1 2 5 8 18 20 17 8 7 23 18 3 2 2 1 1 2 1 1 0 1 1 2 3 4 2 1 2 4 4 4 5 4 2 1 2 1 1 1 0 2 1 1 3 15 2 2 8 22 6 0 1 4 7 10 33 10 100 5 7 1 1 1 1 0 1 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 2 1 2 2 1 1 1 1 1 3 5 7 22 32 10 4 2 5 2 3 2 78 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 73 72 m 5H | 72 71 m 1H | 71 70 m 2H | 45 45 t 2H J 9 | 38 37 t 2H J 64 | 34 34 s 2H | 30 30 td 2H J 8 64 | 30 30 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1
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ir: 4 4 6 5 4 6 9 12 6 14 8 6 3 6 22 16 16 23 59 14 10 13 20 17 18 21 28 49 32 37 34 9 5 7 7 4 16 20 7 4 16 35 7 5 5 13 88 24 23 14 5 3 6 11 20 30 48 27 32 12 4 6 4 4 5 5 11 30 18 18 27 8 7 7 7 12 6 5 5 4 8 5 6 10 7 54 5 8 10 6 6 10 11 9 5 7 7 6 5 12 23 13 15 31 19 33 22 15 13 7 16 8 6 4 3 5 18 13 5 10 7 6 5 6 8 6 8 7 6 5 5 7 8 10 24 21 23 8 4 14 10 7 73 8 6 7 14 54 30 14 89 67 20 9 10 36 18 10 32 8 35 56 6 6 5 0 35 18 6 7 4 2 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 6 7 5 5 4 4 4 4 5 4 3 6 11 10 15 16 20 22 35 38 29 14 10 7 6 4 3 4 5 4 3 4 5 4 4 5 8 11 6 13 13 7 42 18 100 28 30 6 5 11 7 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 96 96 s 1H | 87 86 s 1H | 86 86 s 1H | 80 80 m 2H | 78 77 m 2H | 75 74 ddd 1H J 11 78 101 | 74 73 m 2H | 33 32 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C)(C)OC(=O)N[C@H]1CC[C@@H](O)CNC1=O
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ir: 13 8 7 5 7 6 2 3 5 7 5 10 3 3 2 3 2 4 3 4 5 3 3 4 3 3 7 8 4 6 9 9 9 21 45 93 42 9 16 14 9 4 4 3 4 2 2 4 3 5 4 3 4 4 4 4 3 4 7 4 4 7 5 5 4 5 3 3 4 2 4 3 4 3 2 2 3 3 3 3 4 3 5 6 8 9 10 11 18 15 23 10 6 5 4 7 5 4 4 9 4 3 4 3 2 3 3 6 5 5 6 2 5 4 6 4 6 5 3 9 6 7 7 6 5 6 5 16 8 31 42 22 9 3 3 3 5 2 2 4 4 3 1 5 11 31 19 5 11 59 34 27 36 19 7 0 2 4 2 0 2 3 2 1 1 3 2 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 3 2 3 4 3 4 4 3 5 5 4 3 6 3 8 6 8 9 30 6 2 4 4 4 4 5 9 13 37 48 41 13 7 6 5 3 4 4 3 3 5 4 5 9 20 73 100 47 11 13 4 6 5 3 2 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 78 77 t 1H J 65 | 57 57 d 1H J 82 | 43 42 ddd 1H J 61 68 82 | 40 39 m 1H | 38 37 ddd 1H J 54 66 132 | 36 35 d 1H J 59 | 35 35 ddd 1H J 47 65 130 | 20 18 m 2H | 18 16 m 2H | 14 14 s 8H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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NC1CCC(CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1
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ir: 2 4 3 6 2 1 1 2 4 2 2 2 1 2 1 1 5 1 1 1 3 27 3 1 4 2 1 1 1 1 3 2 2 1 1 7 1 2 3 4 5 1 2 3 2 3 1 1 1 2 1 4 4 5 31 7 6 2 7 17 16 9 8 7 16 8 41 12 11 8 2 3 1 3 15 7 3 2 3 2 4 32 5 1 2 1 1 11 34 4 7 2 1 1 1 2 1 1 2 2 2 2 6 6 3 10 3 2 3 3 5 3 2 8 6 2 2 3 14 6 2 3 3 4 7 5 4 16 8 5 7 9 16 22 100 24 6 4 1 1 1 2 1 1 1 2 1 0 1 1 1 2 4 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 3 3 2 2 3 2 2 3 2 6 10 5 10 9 19 3 1 2 1 1 1 1 2 2 2 3 6 19 23 18 8 6 4 2 4 18 17 4 2 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 80 80 dd 1H J 51 85 | 77 76 dd 1H J 22 121 | 73 72 ddd 1H J 22 85 105 | 32 31 p 1H J 53 | 31 30 m 1H | 29 28 ddd 2H J 64 91 115 | 26 25 m 4H | 22 21 dddd 2H J 52 63 90 141 | 19 18 dddd 2H J 52 63 90 140 | 17 13 m 9H | 13 12 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(C)CC(C)=O)cn1
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ir: 5 3 2 3 0 2 2 2 3 4 5 6 2 4 9 2 1 1 2 3 6 4 2 2 3 4 27 16 12 17 9 8 9 11 10 8 7 8 16 8 13 14 23 6 8 12 5 8 3 2 4 2 3 3 9 33 13 7 5 3 2 3 1 1 1 1 1 1 3 8 4 4 3 1 3 1 2 1 1 1 1 1 1 0 1 1 1 1 2 2 1 2 2 1 3 4 3 14 6 2 1 1 1 1 2 2 5 3 6 3 6 4 3 2 2 5 3 2 6 5 3 5 9 8 6 3 2 4 7 13 9 2 6 4 1 1 2 2 2 2 4 27 30 28 5 4 4 3 42 100 30 19 12 4 1 2 1 0 1 3 3 32 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 4 2 1 2 2 2 2 2 2 1 3 2 6 13 12 7 4 11 5 4 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 3 1 2 7 10 6 18 40 17 7 4 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 82 82 m 1H | 76 76 m 1H | 73 73 d 1H J 79 | 57 56 d 1H J 73 | 44 43 dt 1H J 56 73 | 34 33 ddd 1H J 71 79 152 | 30 29 dd 1H J 80 160 | 28 27 dd 1H J 79 161 | 21 21 s 3H | 20 18 dtd 1H J 56 63 146 | 17 16 dtd 1H J 56 63 146 | 15 14 m 1H | 14 14 s 8H | 14 13 m 5H | 10 9 t 3H J 73
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(O)[C@H](N)C(=O)N1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
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ir: 3 3 3 3 4 4 4 8 4 4 7 8 10 6 5 8 27 34 30 23 11 24 15 5 7 6 2 4 6 6 3 6 6 18 19 6 4 2 2 2 2 3 2 2 4 9 7 12 8 5 5 7 4 1 4 10 5 3 2 4 3 1 6 15 10 16 16 13 10 10 32 36 7 22 14 7 2 5 10 23 22 14 18 15 27 18 10 11 19 25 39 20 8 3 2 4 4 4 6 6 3 11 8 2 4 6 7 5 5 4 4 6 8 5 3 4 5 6 4 8 16 6 4 5 6 7 8 13 9 18 19 15 28 39 13 9 4 11 10 19 59 29 4 4 9 24 23 30 3 4 7 13 8 5 6 10 24 100 15 3 5 3 3 1 2 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 3 1 2 2 2 8 3 16 29 6 16 39 27 18 9 2 4 13 21 22 2 2 2 3 3 12 19 13 8 3 13 10 23 48 18 4 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 dd 1H J 12 76 | 76 75 m 2H | 75 75 d 1H J 21 | 73 73 d 1H J 77 | 67 66 dd 1H J 11 71 | 48 47 d 2H J 71 | 40 39 pd 1H J 51 63 | 38 37 tdq 1H J 16 59 73 | 37 36 m 9H | 20 19 m 4H | 13 13 d 12H J 62 | 12 12 dd 3H J 15 62
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(N)c1cc(F)c2cccnc2c1N1CC[C@@H](O)C1
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ir: 1 2 2 2 2 2 3 3 6 4 3 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 0 1 1 2 1 2 2 9 1 4 2 1 1 4 2 2 6 4 3 1 1 1 4 7 2 5 10 4 1 1 2 13 27 7 7 8 9 12 35 20 7 12 11 6 2 3 2 1 1 4 5 4 10 5 2 2 7 23 24 13 9 5 7 11 12 3 5 6 3 1 0 1 1 2 1 0 3 5 8 10 25 2 2 3 2 1 3 1 2 3 2 2 7 6 3 9 4 2 3 5 3 11 15 23 8 7 16 29 5 2 2 3 2 8 21 7 1 1 1 0 0 1 0 1 1 0 0 5 0 0 1 0 0 1 6 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 0 0 1 2 1 2 2 2 1 3 3 5 8 4 7 17 17 2 3 2 2 0 3 3 4 1 1 4 6 18 17 5 12 15 10 5 4 100 85 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 dd 1H J 21 41 | 84 84 ddd 1H J 21 40 87 | 75 74 dd 1H J 41 87 | 73 72 dt 1H J 7 121 | 45 44 m 1H | 43 42 m 1H | 38 36 m 2H | 36 35 m 2H | 30 29 d 1H J 53 | 26 26 d 2H J 60 | 22 21 m 1H | 20 19 dddd 1H J 46 57 75 125 | 15 15 d 3H J 55
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1
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ir: 1 1 1 1 1 3 5 3 2 2 2 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 5 3 4 1 2 1 1 1 1 2 1 1 1 2 2 0 2 3 6 4 20 33 6 4 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 3 1 1 2 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 3 2 1 1 2 3 11 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 6 100 53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 4 4 3 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 43 42 dd 3H J 42 117 | 40 40 dd 3H J 41 118 | 37 36 tt 3H J 29 40 | 28 27 dd 3H J 29 75 | 25 25 dd 3H J 29 75
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1ccc(Cn2cc(F)c(N=CN(C)C)nc2=O)cc1
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ir: 1 2 4 1 1 2 3 3 6 2 3 5 1 2 3 3 1 1 2 2 1 5 3 1 3 3 2 2 1 2 2 1 1 3 2 1 4 2 3 3 3 6 12 2 2 3 2 1 2 3 6 9 8 21 31 31 18 16 4 4 2 2 2 2 6 3 5 2 3 19 5 3 4 2 2 2 3 2 1 2 2 4 1 1 2 3 1 1 2 4 5 9 3 7 3 28 8 4 2 2 3 5 2 5 15 37 5 9 7 6 2 2 5 2 6 7 20 4 3 3 4 3 1 6 34 3 5 2 2 3 1 2 3 1 1 2 2 2 4 6 22 13 10 3 3 1 2 8 12 8 29 17 9 2 1 3 3 0 3 100 4 45 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 4 9 25 21 10 11 6 14 4 2 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 hept 1H J 11 | 82 82 dt 1H J 9 77 | 72 71 m 4H | 52 52 q 2H J 8 | 31 31 d 5H J 10 | 23 23 d 3H J 7
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cn1cc(C2=C(c3ccsc3)C(c3ccc(C(=O)O)c(O)c3)CC(=O)N2)cn1
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ir: 3 1 2 1 3 2 2 4 8 2 2 3 2 2 2 2 2 3 2 2 3 2 3 3 3 5 9 14 38 41 39 22 12 11 4 2 2 10 5 4 4 11 23 32 17 8 6 1 3 2 1 0 5 2 6 13 3 2 3 2 7 2 3 3 3 2 2 7 12 9 2 5 2 1 3 3 6 3 8 32 16 6 6 17 3 2 1 4 5 5 4 9 3 2 4 10 10 2 1 1 2 1 3 8 3 4 2 2 1 2 5 6 2 2 2 4 2 1 2 2 1 2 4 4 2 8 10 6 3 3 2 3 3 6 2 3 1 4 1 1 1 2 1 1 1 1 1 3 7 15 2 2 6 9 7 8 3 14 5 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 1 1 0 3 5 4 15 11 14 17 19 100 5 7 2 3 5 46 6 3 0 1 1 1 1 1 1 1 2 5 16 7 10 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H | 79 78 s 1H | 78 77 m 2H | 74 74 dd 1H J 16 57 | 73 73 t 1H J 17 | 71 70 dd 1H J 17 56 | 70 70 m 1H | 69 69 dd 1H J 8 21 | 47 47 m 1H | 40 39 s 3H | 29 28 dd 1H J 70 161 | 27 26 dd 1H J 70 159
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Fc1ccc(OCC2CCCCN2Cc2ccccc2)cc1
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ir: 5 2 2 3 2 3 4 6 3 5 3 3 3 4 2 2 4 2 2 2 2 2 2 3 2 2 1 2 2 2 14 4 8 6 7 3 2 3 11 33 10 12 3 4 3 4 2 3 3 3 5 3 8 8 29 37 10 4 3 3 2 1 2 2 1 1 2 19 30 9 5 4 4 8 6 5 3 4 4 2 2 4 8 10 14 6 5 5 8 27 7 4 2 2 4 3 3 4 8 3 4 3 4 2 2 1 5 4 3 2 7 6 5 5 3 4 2 2 3 4 4 3 3 4 3 4 5 5 4 4 2 2 5 8 11 18 30 5 3 2 2 5 5 13 7 4 12 49 3 3 4 5 9 4 2 1 2 2 1 1 1 5 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 1 4 4 3 2 3 5 2 0 4 14 14 17 30 100 44 45 8 1 5 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 73 73 s 3H | 70 69 m 2H | 69 68 m 2H | 41 40 dd 1H J 48 110 | 39 38 dd 1H J 48 110 | 38 38 d 1H J 124 | 35 34 d 1H J 125 | 30 29 tt 1H J 47 59 | 29 28 ddd 1H J 36 60 115 | 28 27 ddd 1H J 36 60 115 | 20 19 dddd 1H J 52 60 79 127 | 18 14 m 6H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCNc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1
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ir: 7 4 9 8 5 3 7 3 6 8 7 24 18 14 5 6 4 4 5 4 5 4 4 3 4 6 3 3 4 4 4 3 4 3 2 3 4 3 3 2 2 2 2 2 4 1 2 4 3 1 5 12 19 27 28 8 12 6 2 3 3 3 3 2 4 3 4 1 13 5 4 2 3 5 6 2 2 2 2 1 2 1 2 1 1 1 1 2 1 2 5 4 4 4 7 6 4 3 5 3 2 2 2 2 2 3 4 6 5 3 3 3 4 2 2 2 2 2 3 2 2 4 3 5 4 3 4 6 3 3 16 6 3 2 2 2 2 3 4 7 18 11 4 2 4 10 60 81 16 2 6 21 72 37 39 7 7 11 36 10 3 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 4 3 4 4 3 7 34 6 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 4 10 49 4 2 2 3 5 20 37 7 9 3 9 100 8 4 3 0 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H | 73 73 s 1H | 68 68 d 1H J 9 | 63 62 s 2H | 50 50 t 1H J 38 | 38 38 s 2H | 36 35 qd 2H J 37 70 | 32 31 dqd 1H J 9 67 135 | 13 13 t 3H J 70 | 13 12 d 6H J 67
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C=CCc1c(O)cccc1N1C(=O)C2=C(CCCC2)C1=O
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ir: 11 7 3 5 8 6 2 4 8 3 5 7 8 3 5 10 12 5 10 16 9 7 3 10 7 5 4 5 6 3 3 5 5 5 4 7 5 2 3 9 7 9 9 10 10 31 93 81 39 26 12 11 5 1 5 11 4 4 7 9 4 5 10 8 5 1 4 9 4 2 5 10 15 6 9 12 9 17 8 7 2 4 8 8 4 5 29 11 10 16 14 9 13 17 11 7 3 3 7 6 1 3 7 5 1 7 31 26 12 10 11 9 3 4 10 8 9 8 11 14 11 8 9 3 2 6 8 4 2 4 6 7 1 5 12 1 20 34 15 30 30 16 10 3 3 5 4 5 6 6 5 4 4 9 48 70 100 20 16 6 3 7 4 1 3 5 3 1 3 5 3 0 3 6 3 0 3 5 3 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 5 2 2 5 4 2 2 5 4 1 2 5 4 2 3 6 4 6 6 8 7 2 4 10 18 7 6 34 28 11 15 66 17 4 7 9 8 2 60 56 12 10 4 4 3 3 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 73 73 m 2H | 67 66 dd 1H J 24 68 | 64 64 s 1H | 59 57 ddt 1H J 71 112 165 | 50 49 m 2H | 35 35 dt 2H J 15 69 | 24 23 m 4H | 18 17 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cccc(-c2cc(NCC3CCCN(c4ncccn4)C3)nc(N)n2)c1C
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ir: 12 13 14 16 21 20 18 14 15 21 14 16 15 15 20 13 15 12 15 10 16 13 14 16 14 12 13 14 24 11 12 13 12 11 11 12 11 12 12 12 12 11 11 11 11 11 14 22 14 11 15 25 20 0 68 37 18 24 20 13 13 16 15 13 12 17 13 21 14 13 14 11 12 12 10 12 12 15 11 10 11 12 10 10 12 11 11 11 16 14 10 12 11 12 11 11 12 11 10 11 11 11 12 12 13 22 15 24 13 13 11 11 15 12 12 12 12 12 14 13 11 13 12 13 17 16 17 19 16 14 10 12 14 13 13 15 16 18 11 20 34 17 17 21 18 55 73 41 60 33 16 17 17 32 52 43 17 13 11 12 79 18 12 12 11 9 10 11 10 10 10 11 10 9 10 11 10 10 10 11 10 9 10 11 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 9 10 11 10 9 10 11 10 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 11 11 10 10 11 11 11 11 11 12 12 12 12 11 13 14 14 16 38 36 15 12 11 10 11 11 10 11 12 10 11 11 12 11 11 12 23 20 15 13 13 13 15 17 28 45 21 14 14 100 11 11 11 10 10 11 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 84 83 d 2H J 44 | 74 74 dd 1H J 13 86 | 73 73 dd 1H J 79 86 | 71 71 m 1H | 66 66 t 1H J 59 | 65 65 t 1H J 44 | 64 64 s 1H | 59 59 s 2H | 42 41 dd 1H J 61 152 | 39 38 dd 1H J 60 152 | 38 36 m 3H | 35 34 dt 1H J 58 145 | 24 23 d 3H J 7 | 23 22 s 2H | 20 17 m 5H | 16 15 m 1H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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N#CCCCOc1ccc(-c2coc3cc(O)c(Cl)cc3c2=O)cc1
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ir: 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 2 2 1 0 1 1 1 3 2 3 4 2 1 1 1 2 1 1 4 2 2 1 4 1 1 6 2 1 2 3 35 49 2 3 4 4 3 4 11 15 7 4 6 2 3 3 2 1 1 1 4 9 15 10 5 8 3 1 1 1 3 2 2 1 1 1 1 10 21 3 1 3 25 50 7 0 1 7 4 1 1 1 2 1 1 9 2 0 1 1 7 1 1 1 1 1 1 3 3 3 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 4 4 1 1 1 1 0 4 1 1 0 1 2 1 2 7 19 3 1 4 7 11 4 2 1 1 7 16 1 1 0 3 0 1 1 1 0 1 1 0 0 0 0 0 1 1 1 1 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 5 6 3 7 23 10 4 7 5 3 1 5 100 14 2 1 0 1 1 0 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 80 79 s 1H | 75 75 m 2H | 71 71 m 2H | 68 67 s 1H | 66 65 s 1H | 41 40 t 2H J 61 | 26 26 t 2H J 62 | 22 21 p 2H J 62
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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