Output
stringlengths 5
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stringlengths 850
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C=CC(O)(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1C=COC
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ir: 2 3 3 4 3 4 4 2 2 2 2 1 2 2 2 1 2 2 2 2 1 1 2 2 1 2 3 1 2 2 4 2 3 5 2 2 1 1 1 2 1 3 4 3 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 2 2 2 3 2 3 2 2 2 3 3 3 6 4 2 4 8 6 3 3 2 2 3 3 3 2 2 2 2 2 2 2 5 4 3 3 2 7 10 5 2 3 2 2 3 2 2 3 3 6 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 3 7 7 3 1 1 1 2 2 5 7 4 2 2 2 3 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 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 2 3 3 6 8 7 2 2 3 2 0 6 100 12 4 1 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; 1HNMR: 78 78 td 1H J 9 24 | 77 77 dt 2H J 9 20 | 75 75 dd 1H J 12 79 | 74 73 td 1H J 13 66 | 73 72 m 2H | 66 65 dq 1H J 10 134 | 61 60 ddt 1H J 9 112 167 | 59 58 m 1H | 53 53 dd 1H J 26 167 | 52 51 dd 1H J 26 112 | 46 45 m 2H | 42 42 dd 1H J 9 117 | 40 40 dd 1H J 8 118 | 40 40 s 1H | 36 36 d 3H J 10
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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(-n2ccnc2C)cc2ccc(=O)[nH]c12
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ir: 2 2 1 1 2 9 4 3 0 3 2 1 0 1 2 2 7 1 2 4 1 1 3 9 1 2 2 3 23 23 6 2 4 3 3 2 12 10 3 2 2 2 10 19 5 2 1 3 4 1 1 2 3 2 1 2 1 3 3 8 6 28 5 3 23 6 4 18 27 18 14 4 3 10 5 3 9 13 2 3 4 14 1 2 3 8 13 10 2 2 2 1 3 2 1 4 23 5 9 8 3 31 8 41 2 3 3 7 4 3 6 13 59 6 7 5 15 34 19 3 6 15 3 4 2 2 5 11 12 15 20 32 7 2 1 3 9 3 1 1 2 1 2 4 13 27 2 2 1 1 4 5 3 31 10 1 1 1 6 5 1 1 1 0 13 10 6 2 2 0 1 2 1 0 1 6 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 4 6 3 2 3 3 6 4 3 5 12 5 7 8 19 36 9 42 100 75 81 11 3 5 3 3 3 2 2 1 2 2 2 1 2 2 1 1 3 5 27 3 12 8 6 7 3 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; 1HNMR: 79 79 d 1H J 22 | 78 78 d 1H J 99 | 77 77 d 1H J 40 | 76 76 d 1H J 38 | 74 73 d 1H J 26 | 65 65 d 1H J 99 | 25 25 s 3H | 23 23 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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C[C@H](C(=O)O)n1ccc2cc(OCc3ccccc3)ccc21
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ir: 1 1 1 2 3 3 1 2 2 2 3 3 3 1 3 5 4 4 3 8 40 100 14 3 1 10 5 1 2 5 9 11 4 3 3 2 9 6 8 37 13 4 3 1 1 0 3 2 1 1 1 1 3 25 17 3 1 1 1 1 1 1 1 2 2 4 10 32 6 12 2 0 2 1 3 5 5 9 23 41 6 1 1 3 1 2 7 7 2 2 1 3 8 2 2 4 1 2 2 2 2 1 1 5 9 3 1 1 2 1 1 1 4 4 2 1 0 1 1 1 2 2 0 1 3 6 4 1 2 2 1 1 1 2 5 3 4 1 4 7 3 4 12 48 10 1 2 3 1 0 2 4 7 4 7 4 2 0 0 1 0 0 1 7 3 1 0 0 0 0 0 0 0 0 0 1 1 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 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 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 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 2 3 2 6 8 14 38 26 13 11 3 6 2 1 2 11 22 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 74 m 2H | 74 73 m 2H | 73 73 m 2H | 72 72 m 2H | 69 68 dd 1H J 26 81 | 66 65 dd 1H J 21 53 | 51 50 d 2H J 9 | 50 49 m 1H | 16 15 d 3H J 51
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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)c1cccc2c1cnn2-c1ccc(F)cc1
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ir: 26 5 3 1 1 12 4 2 1 1 6 1 2 4 9 32 3 2 2 1 3 2 1 1 0 1 1 1 1 1 1 0 1 1 1 0 2 1 1 0 0 8 1 4 1 1 1 3 30 5 1 2 1 2 13 27 3 11 1 1 1 1 0 0 1 1 0 0 2 5 1 0 1 1 0 5 1 1 0 0 1 1 2 1 1 1 5 2 1 1 0 0 1 1 1 0 2 16 9 2 3 12 2 13 4 1 0 0 1 1 0 1 1 0 1 1 2 9 16 19 5 4 2 24 17 5 2 2 3 1 0 1 6 10 2 1 1 1 1 1 3 7 5 2 35 5 6 39 16 16 1 4 4 1 1 1 1 1 5 3 1 2 1 1 0 0 0 1 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 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 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 3 4 8 16 100 26 4 2 3 1 2 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 87 87 s 1H | 82 81 dd 1H J 13 76 | 80 79 m 1H | 77 76 m 2H | 75 74 t 1H J 74 | 74 73 m 2H | 39 39 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=c1[nH]nc(Cc2ccccc2Cl)cc1O
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ir: 2 1 1 3 1 9 7 8 3 12 32 11 8 17 29 19 26 11 8 9 5 4 4 2 3 2 1 2 2 1 2 2 2 2 2 3 2 7 6 5 7 7 16 6 6 2 2 9 9 49 100 13 8 6 3 0 2 4 3 2 5 4 2 4 3 2 3 2 2 4 4 2 5 11 5 8 7 3 2 4 6 5 28 80 6 1 3 5 3 7 7 3 3 2 3 3 3 5 15 27 15 13 3 2 2 2 2 3 3 3 2 2 2 2 3 2 1 2 2 2 2 2 2 2 2 2 3 2 2 1 1 2 2 2 1 2 14 6 3 5 3 5 3 4 2 3 2 3 13 2 2 2 6 31 6 3 2 1 2 1 1 1 3 3 4 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 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 2 2 1 2 2 2 2 3 3 2 11 42 7 17 5 2 2 4 4 21 19 4 2 2 1 1 1 2 2 1 2 2 2 3 7 6 6 19 5 4 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 98 s 1H | 93 93 s 1H | 74 73 m 1H | 73 72 m 3H | 68 67 t 1H J 9 | 39 39 d 2H J 8
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
COc1ccc(F)cc1NC(=S)Nc1cccc2c1ncn2C
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ir: 13 14 31 21 20 35 11 9 18 4 9 5 9 8 10 7 5 5 3 6 4 4 3 5 11 8 3 5 5 3 2 4 9 4 6 24 6 2 3 4 6 6 3 8 11 2 2 8 4 18 48 18 6 10 39 11 3 1 3 5 5 8 7 10 7 5 6 13 19 8 4 5 3 3 5 6 3 1 3 5 4 3 5 5 2 4 11 7 7 5 6 6 8 9 7 6 1 2 4 3 4 7 8 11 8 17 9 4 2 3 3 18 0 5 10 4 3 7 11 10 13 8 6 8 3 11 41 6 2 6 6 14 9 8 8 8 3 8 11 18 15 35 15 4 7 12 29 3 2 5 15 17 8 21 11 4 4 4 21 4 3 4 12 1 4 4 3 0 2 3 2 1 6 5 2 0 2 4 2 0 2 3 1 0 2 3 1 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 2 2 3 2 1 3 3 2 2 3 3 2 5 5 3 4 3 3 3 3 2 4 3 5 3 7 13 28 32 81 62 49 11 9 3 2 3 6 2 1 3 4 3 3 4 4 2 3 4 8 9 17 100 61 34 23 12 5 4 2 4 4 1 3 5 3 1 2 4 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0; 1HNMR: 99 99 s 1H | 99 98 s 1H | 81 81 s 1H | 77 77 dd 1H J 16 79 | 74 73 m 3H | 70 69 m 2H | 39 39 s 3H | 39 39 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.
|
CCOC(=O)c1cc(OCC(=O)OCc2ccccc2)n(-c2ccccc2)n1
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ir: 15 5 5 2 1 3 14 4 3 4 10 13 16 4 1 4 3 2 2 2 1 2 2 1 1 2 3 3 3 5 13 3 4 13 25 0 3 5 9 4 96 9 45 11 4 3 1 1 3 2 2 1 2 3 3 2 2 2 1 1 2 2 3 1 1 3 7 10 9 9 7 2 3 10 8 3 11 5 12 2 3 2 1 1 3 2 1 3 7 4 3 2 4 1 2 1 2 19 1 3 5 6 1 1 2 1 1 1 2 1 1 9 2 2 4 1 1 32 3 4 8 9 2 6 3 6 4 8 21 32 0 3 4 5 3 43 7 2 3 2 2 4 35 37 55 27 6 4 43 0 1 5 14 1 1 2 2 1 12 1 1 10 1 2 1 1 1 2 1 0 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 13 3 1 1 1 1 5 5 20 25 23 25 100 41 47 10 9 4 10 2 1 3 2 1 0 1 2 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 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; 1HNMR: 77 77 m 2H | 76 75 m 2H | 74 74 m 1H | 74 73 m 4H | 73 73 m 1H | 68 67 s 1H | 52 51 s 2H | 49 49 s 2H | 44 44 q 2H J 64 | 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.
|
O=c1ncn(Cc2ccc(Cl)cc2)c2cc(-c3ccc(OCc4ccccc4)c(Cl)c3)sc12
|
ir: 1 8 6 10 11 4 3 9 8 5 21 35 9 11 8 9 2 9 6 3 2 4 4 5 5 5 6 6 3 6 20 24 28 8 4 14 5 7 14 31 29 13 5 8 7 28 5 6 4 4 6 10 10 100 26 18 88 19 6 5 5 8 3 2 11 16 8 6 14 18 4 2 3 4 3 3 6 10 5 4 12 6 3 3 4 5 4 2 14 20 5 4 7 10 30 22 3 15 4 13 9 8 5 4 4 3 6 7 21 18 4 4 4 3 1 5 9 5 5 5 7 13 9 8 10 6 3 4 4 3 1 3 3 2 7 32 8 6 4 4 10 7 3 35 12 6 7 12 5 3 9 19 27 82 6 2 3 3 3 3 2 5 23 8 4 17 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 1 1 2 2 1 1 2 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 3 2 1 2 2 2 1 2 3 2 1 2 3 1 2 3 3 1 2 3 3 2 2 3 3 2 2 3 3 2 2 4 6 7 10 4 4 3 3 5 10 17 35 61 56 84 39 18 9 9 8 9 16 26 7 5 2 2 3 3 2 1 2 2 2 1 2 2 2 1 3 3 2 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 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 2 1 2 2 2 1 2 2 2 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 3 2 1 2 3; 1HNMR: 83 83 t 1H J 10 | 77 77 dd 1H J 21 78 | 76 76 d 1H J 21 | 74 73 m 6H | 73 73 m 4H | 71 70 d 1H J 78 | 54 53 q 2H J 9 | 51 51 t 2H J 10
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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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Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(S(C)(=O)=O)cc(F)c2n1CC(=O)O
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ir: 3 4 6 7 9 5 21 12 12 17 9 9 19 15 17 25 14 14 5 12 33 43 22 27 15 30 11 5 4 3 6 15 10 3 3 4 15 10 6 17 6 5 5 6 4 3 4 4 3 1 4 5 3 0 5 28 32 100 35 8 3 2 2 2 7 13 32 13 21 8 3 3 3 2 6 3 11 27 53 59 41 38 12 7 7 12 39 5 14 17 9 29 20 6 11 11 10 7 25 10 5 3 7 42 11 9 14 5 3 5 6 3 0 3 9 14 11 9 9 22 23 11 18 6 4 11 13 24 5 4 6 5 3 5 16 12 3 14 28 9 16 12 13 10 17 8 12 7 3 3 4 10 11 23 21 3 3 8 6 3 2 3 2 23 7 8 2 1 2 2 2 1 1 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 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 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 2 1 1 2 2 2 2 3 3 2 3 5 4 2 2 6 6 5 3 4 3 5 11 26 16 13 58 56 25 25 17 12 13 6 10 6 25 49 13 2 2 2 2 2 2 2 2 2 1 1 2 2 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 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; 1HNMR: 83 83 d 1H J 22 | 77 76 d 1H J 92 | 75 74 m 3H | 73 72 m 4H | 70 69 d 1H J 92 | 53 52 d 2H J 9 | 50 49 s 2H | 32 32 s 3H | 25 25 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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COc1cc(S(=O)(=O)Cl)ccc1C(=O)O
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ir: 18 2 1 2 2 2 1 2 7 3 2 8 6 9 5 4 5 6 6 11 43 31 18 19 5 4 6 7 3 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 2 4 3 3 4 2 1 1 1 2 2 3 2 5 4 3 6 5 1 1 4 5 2 3 4 4 55 33 5 4 3 16 7 2 3 3 4 7 2 2 2 1 2 1 1 1 1 1 1 1 7 2 1 1 1 1 1 1 3 3 2 1 1 1 1 2 2 2 3 4 3 2 2 15 4 2 1 1 1 1 1 2 2 3 9 2 1 1 1 1 1 1 1 1 2 1 7 1 1 4 6 2 10 3 1 1 1 1 1 1 2 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 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 2 2 1 3 3 14 22 5 4 2 0 1 3 1 3 66 100 15 4 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 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; 1HNMR: 81 80 d 1H J 97 | 77 77 dd 1H J 22 97 | 75 74 d 1H J 21 | 39 39 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.
|
O=C(CCl)N1c2ccccc2C[C@H]1C(F)F
|
ir: 0 5 10 8 8 5 13 7 6 2 3 4 3 4 9 13 13 14 4 3 2 4 3 2 8 5 8 5 11 10 7 2 3 3 3 1 2 5 3 4 8 29 32 60 16 16 7 9 8 5 6 2 2 3 2 2 2 4 8 6 5 5 5 2 2 2 3 6 4 2 4 7 10 17 18 8 5 5 10 8 7 3 2 3 5 5 3 10 20 8 9 6 4 3 3 8 13 5 8 5 6 8 3 5 5 6 9 6 8 6 8 4 8 6 8 5 6 4 6 4 5 2 4 14 11 7 6 14 11 10 8 29 8 5 2 3 5 15 8 4 5 6 5 3 5 9 16 100 13 13 12 8 3 0 3 4 2 1 2 8 6 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 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 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 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 3 2 2 3 5 6 3 6 6 5 4 4 14 7 8 27 18 23 93 66 8 7 8 3 3 2 1 2 2 2 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 0 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 dd 1H J 14 77 | 73 73 ddt 1H J 8 17 83 | 72 72 td 1H J 18 77 | 71 70 ddd 1H J 15 77 84 | 61 60 dd 1H J 18 40 | 48 47 tddd 1H J 39 67 84 122 | 40 39 m 2H | 30 29 ddtd 1H J 8 21 68 134 | 27 26 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.
|
CC1(C)CC(CCO)CCO1
|
ir: 6 9 24 12 6 8 10 5 5 5 8 4 3 4 7 4 1 4 6 2 2 5 6 4 12 17 6 1 1 5 5 2 2 5 5 2 4 9 6 2 4 6 5 2 4 6 4 1 3 6 4 1 6 9 6 4 5 12 5 0 9 9 12 10 5 12 5 4 8 37 6 3 9 8 5 6 9 10 6 4 12 9 5 7 13 61 80 91 47 49 75 47 26 19 13 11 8 7 3 6 6 5 4 11 13 19 10 9 13 12 7 9 8 6 4 4 8 5 6 13 14 11 5 6 8 6 3 7 5 11 8 9 6 3 2 4 5 10 8 6 5 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 4 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 4 3 3 5 3 1 3 5 4 1 3 5 3 0 3 5 2 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 3 6 6 3 4 8 7 6 6 17 9 11 10 17 9 8 8 15 8 15 29 23 9 6 8 9 8 6 21 36 22 52 100 20 29 14 12 7 7 7 5 5 8 5 6 8 6 7 6 6 4 5 7 7 5 6 5 6 2 3 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 37 36 m 2H | 36 35 m 2H | 25 24 t 1H J 60 | 18 16 m 4H | 15 13 m 3H | 13 13 s 2H | 12 12 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.
|
Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(-c4nnn[nH]4)cc3)c2F)cn1
|
ir: 1 1 2 1 3 3 4 2 7 1 0 1 1 2 3 2 10 3 5 1 1 2 1 6 4 2 3 1 1 2 1 0 1 1 1 1 1 1 1 1 2 3 7 23 14 3 2 2 2 1 1 0 3 2 2 1 1 2 1 0 0 1 1 0 1 1 0 0 2 7 2 11 2 1 1 1 1 2 1 0 0 1 0 0 1 0 0 0 1 1 1 2 4 2 0 1 2 2 0 1 2 1 1 1 1 3 1 1 0 0 0 0 0 1 1 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 2 2 4 2 2 2 2 1 1 1 1 1 1 3 8 3 7 30 3 8 6 3 5 2 1 1 5 1 0 1 0 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 0 0 0 0 0 0 0 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 2 1 3 4 7 4 3 2 1 1 1 1 1 1 1 0 1 1 1 0 1 2 11 14 2 2 1 1 3 8 3 4 6 7 10 100 4 4 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 88 d 1H J 20 | 81 80 m 2H | 78 78 s 1H | 77 77 dd 1H J 51 86 | 74 74 dt 2H J 9 85 | 71 71 dd 1H J 8 86 | 53 53 s 2H | 51 51 d 2H J 9 | 31 30 qd 1H J 44 52 | 20 19 m 2H | 18 17 m 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)OC(CCOc1cc(F)ccc1C(=O)O)N=C=O
|
ir: 7 5 3 2 3 2 8 6 5 5 11 9 8 26 18 7 6 7 11 6 7 27 100 32 21 9 6 4 11 3 1 4 2 1 4 5 5 2 1 8 6 1 2 3 2 1 2 3 1 2 1 3 2 0 3 5 2 4 3 5 2 9 2 2 1 5 6 9 5 8 7 5 13 8 14 5 5 21 44 12 8 3 1 2 1 1 3 4 7 7 3 3 1 3 1 2 4 4 1 1 2 11 3 1 1 2 2 1 2 2 2 10 14 5 2 6 2 8 8 5 4 3 2 4 2 2 2 1 1 14 11 4 2 2 1 1 1 1 1 2 1 3 15 62 3 4 2 1 1 2 1 4 55 20 2 3 2 0 1 1 1 1 7 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 2 0 24 2 0 1 1 0 0 1 1 0 0 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 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 1 0 0 1 1 2 3 1 1 1 3 2 1 1 1 1 1 2 5 14 11 7 89 17 3 2 1 1 0 1 1 1 26 2 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 78 77 dd 1H J 49 83 | 70 69 m 2H | 47 47 t 1H J 53 | 42 41 dt 1H J 54 111 | 41 40 dt 1H J 55 111 | 23 22 dq 1H J 54 130 | 20 20 dq 1H J 54 130 | 12 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=CCOc1cc(OS(=O)(=O)C(F)(F)F)ccc1C=C
|
ir: 1 5 4 4 1 5 4 12 26 20 20 8 3 2 4 3 3 2 2 2 3 1 2 3 4 3 4 2 3 2 2 2 1 1 1 2 2 1 1 1 1 0 2 1 1 1 0 1 1 4 9 3 2 1 3 15 12 4 2 2 2 2 3 9 12 9 12 13 9 3 100 27 12 7 2 1 3 3 0 1 1 2 3 6 5 15 17 9 1 2 1 1 1 1 1 1 1 16 2 2 2 2 0 1 1 3 1 1 1 0 0 1 1 1 0 1 1 2 2 5 1 1 1 1 1 1 0 1 1 1 1 1 2 2 3 6 3 14 9 3 2 2 3 10 5 3 1 1 1 1 7 4 1 3 2 2 3 2 2 2 1 1 2 3 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 0 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 1 1 1 1 1 1 3 9 6 3 4 4 8 9 13 24 2 4 7 9 3 3 1 2 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 0 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 d 1H J 91 | 70 70 m 1H | 70 69 m 1H | 69 68 d 1H J 23 | 61 60 ddt 1H J 55 112 168 | 57 56 dd 1H J 24 165 | 55 54 dd 1H J 24 112 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 46 46 dt 2H J 14 56
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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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CCOc1cc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)nc2)ccc1Br
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ir: 4 3 23 9 1 6 5 2 1 5 7 14 6 6 4 3 3 9 4 2 4 3 4 4 2 6 5 2 1 3 1 1 1 2 2 2 3 3 5 6 17 50 12 10 3 2 3 2 5 4 5 1 4 11 25 23 7 4 2 1 2 1 4 4 4 2 3 11 8 6 13 2 4 7 7 6 4 3 7 1 1 1 0 0 2 3 2 3 1 4 2 2 2 3 1 4 10 5 6 2 4 2 2 2 2 4 6 2 3 2 4 5 9 7 2 2 5 5 14 11 9 4 4 16 11 5 12 12 5 7 7 11 5 3 6 9 11 3 2 4 44 13 3 5 1 29 18 15 4 34 23 100 18 5 7 13 4 2 2 1 2 6 12 13 2 1 1 2 1 0 0 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 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 1 2 2 2 1 2 1 1 2 3 1 1 2 2 4 1 21 12 24 35 13 12 3 2 2 3 1 1 2 2 1 1 2 2 4 1 2 2 1 2 2 4 4 53 20 4 3 2 2 1 1 1 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 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; 1HNMR: 98 97 s 1H | 87 87 d 1H J 20 | 79 78 dd 1H J 19 78 | 76 75 d 1H J 81 | 75 75 dd 1H J 21 82 | 70 69 m 2H | 42 41 q 2H J 62 | 41 40 m 1H | 40 39 m 2H | 39 38 ddd 1H J 41 62 134 | 37 37 dd 1H J 59 107 | 36 35 m 2H | 15 14 t 3H J 62 | 15 14 s 9H | 13 13 d 2H J 84
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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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CSC(=Nc1cc(Cl)ncn1)SC
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ir: 2 1 1 1 5 2 1 1 1 0 0 1 2 2 2 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 4 4 7 7 7 4 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 4 1 0 2 1 2 1 1 3 14 10 4 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 1 1 1 2 6 6 1 0 1 1 0 2 2 1 0 0 1 1 0 0 0 0 1 7 4 1 1 1 3 2 1 2 3 2 4 2 2 1 0 1 1 0 0 1 1 0 0 2 5 0 0 1 6 8 0 3 3 100 25 1 0 2 1 0 0 1 1 0 1 1 2 0 1 1 2 2 16 2 1 1 0 1 1 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 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 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 5 3 1 2 4 2 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 88 d 1H J 14 | 68 68 d 1H J 14 | 26 26 s 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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CCOC(=O)c1cn2c3ccc(Br)cc3c3cc(OC)cc(c1=O)c32
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ir: 7 6 3 3 2 3 4 17 4 4 4 2 1 2 3 2 1 3 8 6 6 27 3 5 10 3 4 2 2 12 3 2 2 2 2 3 2 2 2 1 2 2 2 2 6 5 3 2 27 63 15 6 17 13 3 12 2 2 2 1 2 4 3 6 9 4 33 45 8 19 3 2 5 2 4 7 5 4 3 2 3 2 2 3 3 22 2 2 8 3 2 2 2 5 2 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 4 6 7 3 8 6 3 3 4 15 14 6 3 5 14 5 14 8 21 3 2 2 2 2 2 3 7 93 3 3 9 19 3 2 2 2 15 6 22 22 4 100 5 13 4 0 1 3 2 3 9 8 6 2 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 2 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 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 2 2 2 2 3 2 2 2 2 3 2 2 3 3 5 7 12 6 20 48 29 21 24 17 5 3 2 4 2 3 2 1 2 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 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 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 92 92 s 1H | 85 84 d 1H J 26 | 82 81 d 1H J 77 | 79 79 d 1H J 24 | 76 76 d 1H J 22 | 76 75 dd 1H J 25 78 | 43 43 q 2H J 71 | 39 38 s 3H | 13 12 t 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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FC(F)(F)c1cc(CO[C@@]23CC2CN[C@H]3c2ccccc2)cc(C(F)(F)F)c1
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ir: 3 4 4 2 2 1 1 2 0 1 1 1 2 3 1 3 2 4 2 1 1 2 2 3 3 1 2 4 1 2 5 9 19 29 8 7 13 4 7 5 3 7 20 12 10 2 4 2 1 7 18 11 4 5 2 2 2 5 10 3 8 2 2 1 7 24 39 52 18 12 8 3 2 2 2 1 2 1 2 3 1 1 3 4 2 1 1 1 2 3 1 4 3 22 13 3 1 15 29 100 13 21 3 2 3 3 8 16 8 16 14 15 0 7 2 4 6 10 8 8 5 5 4 4 4 3 2 7 5 30 7 11 6 2 3 9 2 2 1 1 1 2 4 12 10 3 2 1 1 1 1 1 4 1 1 1 1 1 3 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 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 0 0 0 1 0 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 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 27 30 44 9 3 2 3 6 3 2 1 1 1 1 1 1 1 1 2 4 12 24 5 1 2 2 1 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 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 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 0 0; 1HNMR: 78 78 td 1H J 9 25 | 77 77 dt 2H J 9 19 | 74 73 m 2H | 73 72 m 3H | 47 47 dt 1H J 8 116 | 46 45 dt 1H J 9 115 | 43 43 dd 1H J 8 41 | 38 38 dt 1H J 35 42 | 31 30 ddd 1H J 22 36 123 | 29 28 ddd 1H J 22 36 123 | 21 20 dd 1H J 35 84 | 20 19 tt 1H J 22 35 | 19 18 dd 1H J 35 82
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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(CC(=O)c2ccccc2Cl)cc1
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ir: 7 5 8 4 3 3 7 4 4 5 5 14 29 10 10 8 11 15 10 14 46 90 100 39 31 13 17 15 8 7 5 8 8 2 5 9 9 7 17 24 18 31 93 56 6 4 4 6 5 4 5 5 6 9 12 34 21 21 9 8 3 1 3 5 3 0 8 8 4 19 9 8 6 8 18 13 6 9 19 11 12 3 5 6 2 4 9 16 6 4 9 9 4 3 4 4 1 4 8 10 4 5 22 6 3 2 4 3 1 3 5 3 4 6 17 30 9 6 9 9 15 14 12 8 10 18 10 14 11 7 8 5 6 8 11 28 26 23 8 11 13 9 35 53 12 13 7 21 15 37 16 11 9 6 5 3 3 6 6 5 2 5 6 5 3 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 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 2 4 2 1 3 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 1 2 3 3 2 2 3 3 1 2 3 3 1 3 6 4 2 4 4 3 2 3 6 7 16 52 36 54 11 13 4 6 3 4 4 37 32 6 5 2 1 4 4 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 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 3 3 2 1 3 3 2 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 3 2 1 2 3 2 1; 1HNMR: 79 79 m 2H | 78 78 dd 1H J 17 75 | 75 75 dd 1H J 16 79 | 74 73 m 5H | 43 43 t 2H J 9
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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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COc1cc(OCCCO)c(C=O)cc1-c1cccs1
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ir: 4 7 5 5 6 3 8 5 7 7 4 2 2 2 3 2 6 4 5 6 3 4 2 1 1 2 4 2 2 3 4 1 3 3 2 1 2 11 36 24 76 5 5 4 5 6 5 2 3 2 2 4 2 3 3 3 4 4 29 19 11 5 3 5 7 17 29 22 21 12 48 9 5 6 4 4 2 7 12 1 4 4 3 6 7 7 10 18 25 43 98 7 17 25 10 6 8 4 5 8 6 2 4 3 0 27 2 3 4 6 7 3 2 12 4 5 2 3 3 2 2 2 2 2 4 3 7 2 1 3 19 54 5 3 1 2 2 1 1 3 6 9 4 2 2 13 6 4 24 12 2 2 2 3 16 6 3 1 1 2 1 0 1 2 7 4 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 2 3 2 5 4 2 2 4 3 4 2 2 2 2 2 6 13 9 6 6 100 19 46 50 11 5 8 8 66 8 3 3 4 3 2 1 2 2 2 3 2 2 2 1 1 1 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; 1HNMR: 82 81 s 1H | 74 73 dd 1H J 16 49 | 73 72 dd 1H J 16 62 | 71 71 dd 1H J 49 60 | 67 66 s 1H | 42 41 t 2H J 62 | 39 38 s 3H | 38 37 q 2H J 61 | 28 27 t 1H J 58 | 21 20 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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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2ccccc2)N(CC2CC2)C1=O
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ir: 7 5 3 4 5 10 4 6 8 8 13 3 13 3 4 3 3 3 2 4 8 6 5 6 2 2 2 4 2 6 15 11 14 21 69 96 30 39 23 17 32 43 11 9 3 2 4 4 3 1 4 3 2 2 2 5 6 1 2 2 3 6 4 7 3 3 6 6 5 8 8 3 2 2 2 2 2 1 3 9 4 2 3 2 1 4 5 7 5 4 3 2 3 4 4 2 4 3 8 5 2 3 8 5 5 9 3 5 4 3 2 4 10 10 8 4 10 6 9 10 7 18 9 11 13 28 21 11 14 18 36 28 15 16 13 68 5 18 8 7 5 6 14 23 29 51 100 50 35 18 14 4 13 6 4 1 1 3 2 0 2 3 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 1 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 2 1 0 1 1 1 1 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 2 2 2 4 4 2 4 3 4 3 5 4 4 8 10 6 12 49 10 17 81 55 15 18 8 4 3 3 2 2 1 3 3 2 2 2 3 2 1 2 2 3 4 4 24 70 20 6 5 1 2 2 2 0 1 2 2 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 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 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 1 1 1 1 0 1 1 1 0; 1HNMR: 74 72 m 5H | 55 54 d 1H J 90 | 46 45 m 1H | 45 44 m 1H | 35 35 d 2H J 49 | 21 19 m 2H | 19 16 m 4H | 15 14 m 1H | 14 14 s 8H | 6 5 m 2H | 4 3 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(=O)C=C(C)c1ccc(OCc2cccc(F)c2)cc1
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ir: 7 5 10 8 3 4 4 4 3 5 5 3 5 5 3 3 2 3 6 3 1 2 3 3 2 2 3 2 2 4 3 3 1 4 4 2 4 2 2 2 3 2 2 5 7 11 31 12 5 4 3 1 2 14 13 26 14 11 3 2 3 7 5 4 8 13 15 10 7 31 12 7 5 3 25 10 17 27 12 15 7 9 2 1 2 2 2 3 15 5 2 2 3 4 2 2 3 4 8 3 2 3 1 3 3 5 1 2 2 3 11 9 7 3 4 4 2 6 7 8 5 5 3 4 7 7 3 4 5 3 2 3 6 10 5 4 5 7 37 27 18 8 3 3 3 2 3 10 47 9 13 26 28 6 11 15 6 2 2 7 7 1 3 9 11 0 2 3 2 0 2 3 1 0 2 3 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 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 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 2 3 3 2 2 3 2 2 2 2 2 2 3 4 7 10 10 19 91 100 51 22 9 4 3 5 3 2 2 3 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 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 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 1 1 1 2; 1HNMR: 75 74 m 2H | 74 73 td 1H J 52 77 | 73 72 ddq 1H J 10 18 74 | 71 70 m 2H | 70 69 m 2H | 61 61 q 1H J 14 | 51 51 t 2H J 8 | 37 37 s 2H | 26 25 d 3H 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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COc1ccc(F)c(/C=C(\S)C(=O)O)c1
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ir: 1 5 6 4 2 9 3 4 2 3 6 6 19 7 3 4 6 4 3 2 1 2 3 1 1 2 3 2 1 4 12 6 6 11 18 6 17 6 20 27 22 18 7 1 9 5 3 1 3 2 1 2 4 11 11 1 3 2 7 2 3 3 1 4 6 7 7 0 5 7 14 51 6 6 3 0 3 4 1 1 7 18 57 5 2 2 2 3 7 6 2 2 3 27 18 1 2 3 1 3 2 1 0 1 2 1 0 1 3 1 0 1 2 2 4 5 4 3 61 10 3 1 1 2 2 2 1 2 2 1 1 2 2 1 0 1 2 1 1 4 3 12 14 5 13 2 1 2 2 21 2 1 1 3 2 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 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 3 13 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 2 1 0 1 2 1 0 1 1 1 0 1 2 2 0 6 8 4 10 11 4 3 4 14 100 39 3 4 2 1 1 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 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 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 d 1H J 35 | 72 71 dd 1H J 86 101 | 70 70 t 1H J 26 | 69 69 ddd 1H J 27 36 86 | 54 54 s 1H | 38 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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CCOC(=O)C(C)(Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)c1nccn1C
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ir: 2 1 2 1 2 5 6 20 12 11 5 4 7 7 11 10 21 25 3 2 1 1 2 3 6 1 1 1 0 1 5 3 1 14 4 6 7 13 3 2 1 6 7 2 1 0 1 2 1 1 2 1 1 0 2 6 8 22 17 2 4 3 1 0 2 6 6 11 9 5 68 17 10 15 11 2 1 1 2 8 5 2 3 8 49 21 15 100 21 24 16 3 3 6 9 5 3 3 2 2 4 3 27 10 3 1 0 1 2 1 2 9 20 38 10 3 13 5 16 9 16 6 3 2 0 2 4 2 1 1 1 1 3 3 2 4 0 1 1 0 1 5 16 7 3 1 0 1 3 4 0 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 5 3 2 2 2 2 5 1 1 2 3 2 3 21 30 4 9 36 25 18 5 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 76 76 m 2H | 76 75 m 2H | 75 74 m 2H | 74 73 ddt 1H J 14 64 81 | 73 73 dt 2H J 10 74 | 71 70 m 2H | 43 42 m 2H | 38 38 d 3H J 6 | 35 34 dt 1H J 9 143 | 32 32 dt 1H J 9 143 | 17 16 s 2H | 12 12 t 3H 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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CN1CC=C(C2=Nc3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1
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ir: 1 9 3 2 1 1 2 3 1 1 2 3 9 2 2 3 9 4 10 2 1 3 9 5 17 3 3 4 1 2 3 1 13 1 1 10 9 5 2 6 4 5 2 3 9 6 1 2 2 1 2 5 4 11 73 47 6 15 10 3 2 3 2 7 6 5 4 57 28 8 6 3 3 2 10 10 5 2 6 10 92 16 5 14 3 45 5 3 6 11 6 7 12 5 11 4 7 16 2 4 4 3 11 1 2 1 0 3 2 1 1 1 3 6 1 3 4 3 9 29 5 2 2 2 2 5 11 15 6 1 3 2 4 12 1 1 2 1 2 1 3 34 19 32 9 100 4 5 19 17 30 2 1 9 82 6 2 3 1 2 2 5 20 2 1 0 1 2 1 0 1 1 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 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 3 2 2 4 2 2 4 4 3 6 26 8 43 71 27 18 17 9 4 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 1 1 1 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 d 1H J 25 | 76 75 dd 1H J 25 89 | 74 74 m 2H | 72 71 d 1H J 88 | 70 70 d 1H J 80 | 58 57 td 1H J 14 30 | 34 33 dt 2H J 9 32 | 29 29 m 4H | 24 24 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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O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1C[C@H]1CCCN1
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ir: 11 17 13 8 9 16 8 17 4 8 14 24 19 16 28 8 9 24 9 13 10 10 7 27 6 6 5 5 8 11 16 11 21 12 13 22 17 19 35 100 69 34 26 27 12 18 9 12 15 29 61 73 16 26 25 52 26 21 8 5 6 8 9 25 17 26 47 41 14 13 10 6 8 13 15 6 8 9 6 5 6 6 5 9 7 6 5 5 10 14 8 8 36 24 69 24 25 40 56 97 35 8 7 13 38 34 73 19 52 70 27 16 25 13 43 19 42 41 35 15 17 20 13 31 24 29 32 31 55 14 16 14 11 12 5 8 7 6 4 7 7 6 18 71 11 26 66 11 9 13 14 14 26 82 100 0 4 12 8 4 5 8 5 3 5 7 5 4 5 5 4 4 5 6 5 4 5 6 5 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 5 5 4 4 5 4 5 4 4 5 4 4 5 5 4 5 4 5 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 6 8 7 9 9 10 6 8 8 16 6 21 34 32 37 97 21 16 7 8 7 16 7 5 6 5 5 5 5 6 7 8 15 38 61 13 7 7 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4; 1HNMR: 81 80 q 1H J 16 | 80 80 d 1H J 16 | 78 78 s 1H | 76 75 m 3H | 74 74 dt 1H J 9 73 | 72 72 dd 1H J 21 72 | 56 56 d 2H J 10 | 41 40 dd 1H J 36 123 | 39 38 dd 1H J 35 123 | 36 35 dt 1H J 25 59 | 35 34 ddddd 1H J 18 28 36 46 75 | 30 29 ddq 1H J 22 44 132 | 28 28 ddt 1H J 24 46 132 | 19 17 m 2H | 17 16 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(Nc2ccc(O)cc2)nc1
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ir: 1 3 2 3 2 11 7 5 8 5 6 11 5 2 2 3 5 2 2 6 13 15 7 5 2 6 5 3 2 2 1 2 3 6 36 30 2 3 2 4 10 5 1 1 2 1 1 1 1 2 1 2 12 23 26 20 26 11 4 5 2 0 1 2 1 0 3 1 1 8 7 1 1 1 1 2 1 1 4 12 29 6 3 4 5 4 6 17 12 5 9 8 16 3 3 2 0 5 9 3 0 1 2 7 23 3 2 1 1 1 1 1 2 2 1 1 1 1 2 3 5 1 1 8 7 4 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 19 3 1 1 3 11 43 62 31 28 3 2 2 4 2 4 25 11 2 39 4 2 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 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 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 4 9 39 25 8 4 2 2 2 12 33 15 2 2 2 1 1 1 1 0 0 2 4 7 4 4 12 36 100 56 13 3 2 2 3 3 1 1 1 2 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 89 89 s 1H | 81 81 m 1H | 77 77 s 1H | 76 75 m 1H | 73 72 m 2H | 70 69 d 1H J 77 | 69 68 m 2H | 23 23 d 3H J 9
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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)C(O)(O)C(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O
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ir: 4 4 8 7 7 4 5 7 1 9 6 4 6 3 4 6 4 5 3 4 5 13 8 8 6 12 11 9 6 4 4 5 7 6 5 4 3 10 6 10 13 8 6 3 10 7 15 6 7 4 6 5 3 3 4 2 2 1 3 2 1 2 2 2 2 2 3 5 6 15 9 2 2 3 6 3 3 3 1 2 3 3 16 5 3 3 3 4 10 9 5 7 6 3 3 3 7 9 11 8 6 6 6 3 2 6 3 7 7 7 4 2 15 11 7 9 3 3 2 4 7 4 6 6 3 5 5 3 4 3 2 5 22 5 3 4 3 1 1 3 3 1 4 13 12 25 34 100 8 13 4 0 1 3 1 0 1 2 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 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 2 2 2 2 2 2 3 2 5 2 2 2 1 3 7 20 6 2 1 3 7 15 31 27 11 21 71 21 6 3 2 2 1 2 1 1 1 1 2 3 3 11 8 16 20 10 7 4 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 80 d 1H J 90 | 73 73 d 1H J 95 | 55 55 s 2H | 44 43 m 2H | 43 43 ddt 1H J 18 35 51 | 42 41 dq 1H J 68 95 | 38 38 s 2H | 37 36 dddd 2H J 34 49 121 187 | 36 35 m 2H | 22 21 m 2H | 22 21 s 3H | 20 18 m 3H | 19 18 m 2H | 18 18 m 1H | 13 12 d 3H J 62 | 12 12 d 3H J 68
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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)c1cc(S(=O)(=O)c2cc(Br)cc(OC(C)(C)C)c2)c(SC)s1
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ir: 4 3 3 3 2 2 1 9 7 34 22 4 4 3 1 5 19 6 62 14 5 4 2 12 13 5 10 3 9 3 2 4 72 5 6 1 1 3 2 0 1 2 2 0 1 2 2 1 1 3 19 0 1 3 2 3 2 4 7 1 3 13 7 0 6 11 62 18 4 7 6 3 4 3 5 4 9 10 2 3 2 2 1 3 26 8 5 3 1 3 6 3 20 54 2 3 3 2 3 2 5 2 2 3 1 2 2 9 45 5 2 4 2 5 9 8 22 21 10 13 25 42 6 5 16 16 13 2 6 7 2 2 1 1 2 1 6 2 2 1 1 2 2 0 3 100 6 5 2 1 2 2 1 1 1 1 1 10 6 15 2 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 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 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 3 3 2 3 2 1 2 4 3 4 4 4 7 6 28 26 15 20 29 30 10 3 2 3 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: 80 80 s 1H | 79 78 t 1H J 22 | 74 73 t 1H J 21 | 73 72 t 1H J 22 | 39 39 s 3H | 26 26 s 3H | 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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NCC(c1cccnc1)N1CCOCC1
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ir: 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 3 13 1 1 1 1 22 17 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 5 2 2 11 5 5 4 3 1 1 4 4 2 2 2 1 1 2 7 1 2 13 15 22 8 2 3 4 1 2 16 5 3 2 1 4 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 0 1 1 1 0 5 21 2 2 1 1 4 4 5 3 2 2 2 2 2 5 5 5 4 3 4 9 9 7 4 16 5 1 15 2 1 1 1 1 1 1 1 1 0 0 1 2 4 2 1 1 1 2 8 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 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 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 0 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 2 2 1 3 7 1 1 1 1 1 1 1 1 1 1 3 5 11 10 7 3 1 1 1 2 90 100 1 1 1 1 1 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 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 1 1 1 0 1 1; 1HNMR: 85 85 m 2H | 77 76 m 1H | 73 73 dd 1H J 48 79 | 40 39 tt 1H J 9 52 | 37 36 m 4H | 33 32 dtd 1H J 51 70 114 | 31 30 dtd 1H J 49 69 112 | 29 28 ddd 2H J 36 59 126 | 27 26 ddd 2H J 36 57 125 | 19 18 t 2H 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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CC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)COC1=O
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ir: 14 7 9 4 1 3 3 3 3 3 11 15 96 37 7 4 2 2 3 1 2 2 4 4 23 7 7 3 2 4 12 9 2 3 6 13 6 4 4 13 6 3 2 1 4 7 12 22 15 11 5 4 4 5 29 39 11 5 3 2 3 4 3 0 5 50 3 4 15 20 7 1 2 2 7 7 8 11 6 1 3 5 13 32 65 62 13 100 56 18 16 4 5 2 2 1 3 5 8 8 7 4 5 25 63 32 11 4 4 3 5 3 1 2 2 2 2 5 11 30 66 17 21 8 9 21 6 6 2 10 6 5 8 11 2 1 2 3 2 7 15 2 1 3 3 2 2 12 68 13 5 3 17 8 3 15 4 1 1 2 1 1 2 3 1 1 1 2 1 0 1 1 1 0 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 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 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 2 1 1 1 2 1 1 2 2 6 4 1 2 2 6 3 2 2 1 3 9 29 18 20 31 30 70 30 7 6 5 2 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 1 1 1 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: 79 79 m 2H | 76 76 m 2H | 52 52 s 2H | 52 51 hept 1H J 62 | 33 32 s 2H | 15 15 d 6H 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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CCCC[C@@H](C)CC(=O)O
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ir: 2 2 2 2 3 3 4 3 4 3 2 8 2 8 8 6 5 4 5 13 14 43 46 52 9 6 4 4 3 2 2 3 2 2 2 2 2 1 2 3 3 2 3 3 3 3 3 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 4 3 3 6 16 18 12 19 2 4 3 3 4 6 6 2 2 3 3 2 2 4 3 1 3 3 3 3 3 4 3 3 4 4 4 8 8 4 4 2 3 3 2 3 3 6 5 2 8 4 4 3 3 3 2 2 3 3 4 5 4 3 3 2 2 3 3 3 4 5 14 8 5 6 5 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 3 3 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 2 2 2 1 2 2 2 1 2 3 3 2 3 4 4 1 3 4 3 2 5 6 7 8 3 4 2 0 4 6 3 4 9 27 82 48 100 41 7 4 4 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 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; 1HNMR: 24 23 dd 1H J 82 161 | 22 21 dd 1H J 83 162 | 20 19 ddt 1H J 71 83 153 | 15 11 m 6H | 10 10 d 3H J 72 | 9 8 t 3H J 70
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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#CCCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1
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ir: 3 7 24 10 5 3 6 5 1 3 2 8 5 9 4 4 3 9 16 37 25 4 3 26 7 19 68 39 11 2 3 2 1 2 5 13 13 2 2 3 6 6 3 1 3 6 1 1 1 2 11 1 5 10 32 17 11 19 4 2 3 9 7 10 10 37 79 65 19 9 9 7 2 3 4 3 9 13 16 9 70 19 6 5 4 11 22 13 7 3 4 30 17 4 3 6 8 5 4 9 5 7 19 28 7 10 25 21 36 21 100 12 18 7 9 10 11 23 17 44 24 18 12 7 4 5 8 8 10 10 10 11 4 2 2 3 2 6 4 9 10 50 57 9 3 1 3 3 2 0 8 22 7 29 45 27 21 5 1 1 2 1 4 3 2 1 1 1 1 0 1 1 1 1 1 2 2 2 3 18 4 1 2 1 1 0 1 1 1 1 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 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 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 1 1 1 2 1 6 10 10 5 4 3 6 11 4 2 9 51 73 9 20 90 81 14 19 31 76 11 3 4 1 2 2 1 3 3 1 1 2 3 2 1 1 2 2 4 22 98 61 5 4 3 2 1 1 1 1 0 1 1 1 2 2 1 0 2 1 1 0 0 1 1 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 90 89 d 1H J 73 | 78 77 dd 1H J 49 82 | 74 73 dd 1H J 7 73 | 72 71 dd 1H J 21 121 | 71 70 ddd 1H J 21 81 104 | 33 32 m 1H | 30 30 ddd 2H J 55 81 114 | 26 25 t 2H J 62 | 25 24 m 4H | 22 21 ddt 2H J 55 82 124 | 20 19 ddt 2H J 54 81 124 | 18 18 p 2H 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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O[C@@H]1CC[C@H](OC2CCCCO2)C1
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ir: 3 2 1 4 6 4 8 4 9 4 2 2 6 3 2 4 4 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 2 1 1 2 1 2 2 2 1 3 3 3 1 8 3 4 0 1 2 1 3 7 7 9 2 6 3 1 3 5 4 8 9 5 4 2 5 7 5 19 46 21 9 11 7 2 2 2 3 2 2 1 1 1 1 1 1 1 3 4 5 3 1 4 8 2 3 0 2 3 2 1 1 5 4 5 3 4 5 2 2 3 3 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 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 0 0 0 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 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 3 3 3 3 3 2 2 4 3 9 16 4 1 1 2 2 3 3 5 12 27 100 36 8 5 2 1 2 1 0 1 1 1 1 2 1 1 2 1 1 1 1 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 35 | 42 41 ddddq 2H J 16 31 44 61 106 | 39 38 ddd 1H J 36 60 111 | 35 35 ddd 1H J 34 60 112 | 26 26 d 1H J 50 | 20 20 dt 1H J 46 141 | 19 18 m 2H | 19 18 m 1H | 18 17 m 2H | 17 15 m 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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CC(C)NCC(=O)c1ccc(OC(=O)COc2ccccc2)c(O)c1
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ir: 4 3 7 7 3 8 5 12 12 15 5 7 6 12 5 9 7 18 15 19 11 9 24 18 10 11 14 11 10 17 11 11 7 20 7 11 8 19 11 15 30 69 71 27 20 7 12 8 12 6 7 7 7 8 8 44 10 5 11 0 3 6 7 3 4 6 6 3 33 34 7 4 7 5 12 17 17 10 8 6 8 12 12 4 9 20 14 11 3 3 2 7 10 23 23 6 20 6 3 7 7 6 8 10 22 29 24 12 14 11 9 3 11 12 1 11 25 23 19 16 2 14 15 5 8 9 31 19 7 7 9 9 12 13 19 16 8 3 1 4 8 11 9 41 66 16 18 3 4 1 6 25 7 2 2 2 1 1 1 2 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 1 1 1 1 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 1 1 1 2 2 2 1 1 2 3 3 3 3 2 2 3 4 4 6 13 13 21 100 28 16 18 38 95 14 5 9 4 4 3 0 3 3 2 3 7 10 40 98 12 6 3 2 2 3 1 1 1 1 0 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 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 0 1 1; 1HNMR: 76 76 dd 1H J 20 90 | 74 74 d 1H J 21 | 73 73 m 2H | 72 72 d 1H J 90 | 71 71 s 1H | 70 69 m 3H | 48 48 s 2H | 41 41 d 2H J 62 | 32 31 m 1H | 31 30 dhept 1H J 53 69 | 12 11 d 6H J 53
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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(CCN)n1ccnc1
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ir: 6 2 2 1 0 1 2 3 9 2 8 2 1 1 3 7 2 2 2 1 1 1 1 1 0 1 1 1 2 9 11 11 35 24 12 6 6 5 84 18 7 10 9 11 14 6 13 13 22 15 5 10 35 4 2 2 1 1 1 8 9 12 5 3 4 4 26 22 13 8 12 35 76 23 31 16 15 4 8 29 29 35 75 63 43 72 12 8 5 2 2 3 2 10 30 89 80 10 12 5 1 7 2 100 31 46 11 9 4 4 5 15 12 14 14 10 7 6 14 20 25 38 29 14 3 4 6 10 16 17 7 9 15 17 12 17 11 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 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 2 1 1 1 1 1 1 1 1 2 7 11 9 5 10 25 14 11 5 6 7 4 16 17 70 98 58 5 26 50 73 44 9 5 0 1 1 1 1 2 1 3 14 24 9 2 1 2 2 1 34 54 2 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dt 1H J 10 20 | 71 70 m 2H | 47 46 m 1H | 29 28 dddd 1H J 51 59 110 119 | 28 27 m 1H | 20 19 t 2H J 58 | 20 19 m 1H | 17 16 dq 1H J 50 139 | 13 12 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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CCC1(C)CC(NC(=O)c2ccccc2)C(C)C(C)(CC)N1Cc1ccccc1
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ir: 2 2 2 1 1 3 4 3 2 4 4 2 1 3 3 5 2 7 10 9 9 7 5 9 9 7 4 3 6 4 3 3 5 8 8 13 100 82 20 16 45 39 21 7 11 7 5 6 4 4 3 2 2 5 2 1 2 3 1 2 2 2 3 4 3 3 3 1 5 26 3 19 6 6 4 2 5 8 11 4 4 5 7 2 7 5 3 1 3 11 7 2 2 2 2 4 4 4 7 5 3 3 3 3 2 3 7 11 11 12 8 12 14 17 3 21 18 20 18 11 3 11 7 12 11 11 5 11 5 16 7 4 6 10 21 24 12 14 12 12 7 47 90 60 14 32 54 82 14 9 3 8 9 2 2 3 2 0 1 2 2 2 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 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 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 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 3 2 3 2 3 3 5 4 5 4 3 8 10 18 16 28 29 64 49 20 15 7 6 3 3 4 3 4 2 1 2 3 2 2 3 3 2 1 5 7 10 34 34 5 5 3 4 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; 1HNMR: 76 75 m 2H | 75 75 m 1H | 75 74 m 2H | 73 72 m 2H | 73 73 s 3H | 68 67 d 1H J 77 | 40 39 ddtq 1H J 15 47 62 78 | 38 37 d 1H J 128 | 36 35 d 1H J 127 | 21 20 dd 1H J 48 126 | 19 18 dtdt 1H J 15 46 60 75 | 18 16 m 3H | 15 14 ddq 2H J 74 88 126 | 12 11 s 2H | 11 11 d 3H J 15 | 9 8 m 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)OC(=O)c1ccc(/C=C/C2CCCCC2)cc1Nc1ccc(F)cc1
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ir: 1 3 2 1 1 2 1 3 2 1 13 28 3 2 4 4 2 1 1 1 0 1 1 1 1 1 1 1 4 6 11 11 13 20 6 4 6 9 4 28 66 18 7 1 4 6 2 2 1 2 4 5 8 3 8 6 65 15 9 3 1 2 2 1 3 3 2 3 3 20 10 3 2 4 2 11 18 7 2 1 1 2 1 1 1 1 3 1 2 1 1 0 1 1 1 1 4 4 1 1 2 4 1 2 3 15 8 15 26 5 3 11 4 2 0 18 4 3 4 7 8 5 7 10 5 11 2 2 5 7 7 5 2 1 2 8 7 3 4 8 5 2 4 14 48 9 6 2 3 5 3 9 10 11 19 10 34 40 10 1 12 2 1 10 13 7 5 11 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 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 1 1 1 0 2 2 1 2 1 1 2 3 2 2 7 13 24 12 19 33 21 16 5 4 1 2 2 1 1 1 0 1 1 1 1 1 1 2 2 1 8 12 4 20 100 18 6 4 3 1 2 2 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 84 | 73 72 m 6H | 72 71 m 1H | 65 64 m 1H | 62 61 ddq 1H J 9 75 159 | 24 23 dpd 1H J 18 59 77 | 17 13 m 11H | 16 16 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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O=C1c2ccccc2C(=O)N1CCC(=O)N1C(=O)c2ccccc2C1=O
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ir: 7 8 7 7 8 4 1 3 4 2 1 3 5 6 5 3 3 2 1 3 5 3 3 4 4 3 3 5 3 2 2 3 6 5 6 5 7 15 25 19 15 40 58 24 6 1 5 6 6 3 5 7 8 1 6 11 14 4 12 9 5 1 4 7 4 2 4 8 4 6 5 5 2 1 3 5 2 1 3 4 3 1 3 7 3 1 3 3 1 1 3 3 1 2 3 3 1 3 4 4 2 3 6 3 1 2 3 2 1 2 4 3 2 3 6 3 5 8 8 29 16 13 10 13 11 4 6 6 5 10 4 7 31 37 38 16 9 39 35 6 4 5 5 2 2 6 40 22 5 10 3 3 3 1 47 30 48 29 21 52 9 6 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 4 6 4 3 3 6 6 3 5 13 11 7 30 100 38 6 4 8 4 1 3 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 1 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 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 2 1; 1HNMR: 81 80 dd 2H J 32 50 | 79 78 dd 2H J 31 51 | 78 77 m 4H | 45 44 t 2H J 46 | 28 28 t 2H 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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COc1cccc(-n2cc(Br)cn2)c1
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ir: 3 3 1 2 4 2 2 3 3 2 2 4 28 6 2 6 7 3 3 5 5 2 2 2 3 2 2 2 3 2 2 3 7 2 2 2 2 1 2 3 3 3 2 3 3 4 40 49 13 2 3 6 7 2 6 5 3 1 2 3 2 1 2 3 8 9 47 22 22 6 5 3 2 2 3 8 15 5 5 7 10 12 9 6 2 1 3 3 1 1 4 4 9 9 5 3 2 2 3 3 2 6 6 2 2 3 4 2 1 2 3 2 1 2 3 5 1 2 3 4 4 5 26 9 4 7 6 5 2 3 3 3 4 5 12 11 1 3 4 2 16 22 6 5 2 3 4 9 100 39 0 8 15 5 6 6 12 15 4 2 2 3 14 5 2 3 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 3 2 2 3 3 3 2 4 8 8 7 29 55 60 28 14 42 15 3 4 3 2 2 3 3 2 2 3 3 2 1 2 3 2 1 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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; 1HNMR: 82 81 d 2H J 13 | 75 75 ddd 1H J 13 22 73 | 74 73 t 1H J 75 | 73 73 t 1H J 21 | 70 69 ddd 1H J 11 22 75 | 38 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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CC(=O)c1ccc2ncn(Cc3ccc4nc(N[C@@H]5CCCC[C@H]5O)sc4c3)c2c1
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ir: 6 4 7 4 4 4 10 8 21 12 4 16 5 4 26 21 12 4 4 14 11 9 5 2 4 8 9 5 14 18 5 2 2 2 3 4 10 14 2 3 3 1 2 2 1 2 3 2 2 2 2 3 3 5 13 24 10 7 3 1 1 1 1 1 1 3 8 2 4 3 2 2 3 2 2 2 2 2 4 1 2 8 2 1 1 2 2 2 2 2 5 5 3 15 14 17 6 4 2 7 7 3 1 3 1 3 6 4 2 5 6 1 2 5 2 2 2 3 4 1 4 3 3 10 8 10 4 5 1 2 5 7 2 3 21 16 3 1 1 1 2 2 2 13 50 8 74 57 1 2 18 5 8 4 2 1 0 1 1 0 1 3 1 0 1 1 1 0 1 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 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 3 6 9 4 8 34 12 2 6 12 29 8 6 1 2 2 1 1 1 1 1 0 1 1 0 1 3 10 26 100 24 6 3 2 0 0 1 1 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 t 1H J 9 | 81 81 d 1H J 21 | 79 79 dd 1H J 21 78 | 78 78 d 1H J 77 | 77 76 dq 1H J 8 22 | 76 75 d 1H J 66 | 73 73 ddt 1H J 8 19 66 | 59 58 d 1H J 75 | 56 55 q 2H J 9 | 39 38 dddd 1H J 29 57 64 73 | 38 37 tdd 1H J 31 53 63 | 34 33 d 1H J 54 | 26 26 s 2H | 20 18 m 2H | 18 15 m 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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COc1cc2ncnc(N3CCc4[nH]nc(C(C)(C)O)c4C3)c2cc1OC
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ir: 4 5 2 3 2 2 2 2 2 2 2 3 3 3 2 2 1 2 5 6 14 14 8 3 1 4 3 2 1 3 5 2 2 5 6 2 3 3 2 1 2 3 2 1 1 3 3 26 22 27 29 11 3 2 3 3 3 2 2 2 2 4 3 3 6 5 2 3 8 18 8 3 4 4 5 1 3 12 18 11 7 4 3 3 12 2 2 3 3 3 6 4 2 3 4 10 24 11 9 5 6 28 12 5 7 12 16 2 5 3 4 2 1 2 2 1 2 2 3 3 3 2 9 4 4 3 4 2 4 3 2 4 2 2 1 1 3 3 1 2 1 3 18 41 25 3 0 4 5 0 1 3 3 3 12 8 11 100 10 0 1 2 1 1 1 1 7 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2 1 1 2 2 2 2 5 10 6 3 11 18 3 2 3 2 2 12 25 15 4 2 2 2 2 1 1 1 2 1 1 1 1 1 2 5 6 14 7 4 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; 1HNMR: 84 84 s 1H | 79 79 s 1H | 74 74 s 1H | 72 71 s 1H | 49 49 s 1H | 44 44 s 2H | 40 40 m 2H | 39 39 s 3H | 39 38 s 3H | 28 28 m 2H | 18 18 s 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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O=C(NCc1cccnc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
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ir: 2 1 1 8 5 5 3 3 5 8 2 2 1 1 1 1 2 1 2 3 7 6 4 4 3 3 4 4 3 4 6 7 11 47 8 15 17 11 20 18 23 9 7 12 6 5 11 4 5 6 2 6 11 45 42 23 9 1 4 2 3 7 19 3 7 2 2 16 12 13 3 1 1 1 2 1 1 1 3 2 2 2 1 3 3 1 1 1 1 1 1 2 1 2 1 2 3 4 3 3 1 2 8 5 3 2 1 6 3 1 0 6 11 4 1 1 2 3 4 3 4 6 8 4 6 4 5 5 3 2 4 8 2 1 5 53 22 3 2 21 6 6 40 97 6 11 100 22 18 71 7 46 11 24 45 7 9 19 6 2 2 1 3 7 1 1 1 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 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 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 1 1 1 1 1 2 1 3 2 3 20 91 27 7 5 4 2 0 2 1 2 2 1 1 2 2 1 2 3 1 1 4 8 4 19 22 30 22 7 4 4 2 2 1 0 0 1 1 0 1 0 0 0 0 1 1 1 1 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 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 87 86 dq 1H J 10 21 | 86 86 dd 1H J 16 41 | 85 84 ddd 1H J 13 20 42 | 82 81 t 1H J 66 | 81 80 d 1H J 22 | 80 80 d 1H J 21 | 80 79 dd 1H J 20 86 | 79 79 d 1H J 86 | 78 76 m 4H | 75 75 d 1H J 80 | 73 72 dd 1H J 43 78 | 72 72 ddd 1H J 18 40 68 | 46 45 dt 2H J 9 66
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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#Cc1ccc(C(=O)OCCCCCCC)cc1
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ir: 10 7 11 7 4 6 5 8 21 34 57 9 7 7 5 8 8 9 6 6 5 9 9 6 9 14 6 6 6 6 5 5 5 5 6 13 7 6 6 5 9 7 5 5 7 5 5 5 4 6 4 5 7 5 13 51 23 7 6 6 6 7 5 5 5 5 5 6 7 10 16 10 19 20 12 18 12 10 15 5 5 4 4 4 4 4 5 8 8 4 4 4 5 4 4 5 5 4 4 6 8 11 8 7 14 14 27 20 14 8 10 8 9 8 10 46 27 28 19 18 10 5 8 7 8 20 11 5 6 6 5 5 5 5 5 4 5 5 5 5 6 11 16 34 24 5 6 14 10 8 19 75 8 5 5 4 4 4 4 4 5 4 4 4 4 4 4 3 4 4 4 3 4 5 4 0 51 0 4 5 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 7 7 9 6 6 7 6 5 7 7 6 7 25 29 24 36 100 27 14 6 7 9 9 5 4 6 5 4 4 4 5 5 56 16 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 80 80 m 2H | 76 76 m 2H | 44 43 t 2H J 61 | 31 31 s 1H | 18 17 tt 2H J 61 76 | 15 14 dq 2H J 67 81 | 14 12 m 6H | 9 8 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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COc1ccc(-c2[nH]nc(C)c2N=O)cc1
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ir: 10 10 11 11 15 15 14 10 10 10 14 15 15 12 10 10 12 12 10 11 9 11 11 11 9 10 9 11 20 14 10 10 9 9 11 18 18 10 11 11 10 7 9 17 12 5 13 100 93 58 20 0 10 31 25 33 31 19 11 8 16 17 12 15 13 17 11 8 15 25 10 8 10 11 8 8 10 11 9 10 11 11 8 8 10 10 10 11 11 11 8 9 10 10 9 10 12 13 44 35 11 11 8 10 10 10 13 9 11 10 7 9 11 10 9 11 15 12 8 12 12 11 9 12 12 11 11 15 13 9 9 9 9 9 9 22 23 10 8 11 11 9 77 8 6 15 54 47 18 17 15 37 28 16 10 13 11 7 8 11 9 6 9 14 14 8 9 10 9 7 9 11 9 7 9 10 9 7 9 10 9 7 9 10 8 8 9 10 8 8 9 10 8 8 9 10 8 8 9 10 8 8 10 9 8 8 10 9 8 8 10 9 8 8 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 8 8 9 10 8 8 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 10 9 8 9 10 11 9 9 10 9 9 9 10 10 10 10 12 13 10 18 16 30 44 15 16 14 9 12 10 10 9 9 11 9 8 9 10 9 8 10 10 9 10 10 10 9 11 14 19 40 54 40 16 8 8 10 10 8 8 10 9 8 8 10 9 8 8 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 8 8 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10; 1HNMR: 77 76 m 3H | 70 70 m 3H | 38 38 s 3H | 25 25 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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Cc1nc2cccc3n(CCCCCN4C(=O)c5ccccc5C4=O)c(=O)c1n23
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ir: 4 2 1 4 8 5 3 4 2 3 2 1 2 2 2 4 2 9 49 2 5 5 2 1 2 2 2 4 3 2 2 3 3 11 16 4 5 16 34 23 90 32 37 10 5 3 9 6 13 17 51 32 8 4 5 3 4 5 3 3 7 6 4 6 4 4 7 5 6 8 8 3 5 4 4 5 3 2 2 3 6 9 7 7 4 3 3 6 2 2 2 2 2 5 3 2 1 2 2 2 16 16 1 2 2 2 3 3 9 14 12 20 9 12 1 10 12 7 6 12 14 28 16 13 3 8 8 12 9 4 0 9 100 41 13 8 5 13 16 8 8 18 15 1 1 4 3 1 1 13 16 1 11 21 57 21 26 4 39 76 15 8 4 1 1 3 2 0 1 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 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 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 3 3 3 3 2 6 9 5 8 3 3 7 4 4 14 17 21 16 26 71 56 34 52 17 6 4 3 2 2 2 2 2 2 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 1 1 1 1 1 1 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: 79 78 dd 2H J 31 51 | 78 77 m 3H | 77 76 dd 1H J 64 81 | 72 72 dd 1H J 14 63 | 40 40 t 2H J 55 | 37 37 t 2H J 59 | 27 26 s 2H | 18 17 m 4H | 15 14 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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COC1=C(C#N)C(CCc2ccc(C(=O)OC(C)(C)C)cc2)CC1
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ir: 12 11 3 6 9 7 6 9 14 9 17 12 10 9 35 11 32 17 3 8 13 3 5 7 45 5 3 7 13 6 3 8 7 2 3 8 7 3 12 9 8 8 3 8 8 3 5 9 5 1 6 8 5 0 9 18 22 15 11 11 7 3 13 14 5 4 9 9 4 2 6 9 4 1 6 8 3 1 6 8 3 2 6 7 2 2 8 10 4 3 17 8 4 3 7 7 3 4 10 18 5 5 9 7 2 4 8 6 4 7 9 6 11 11 12 7 16 100 20 19 6 26 16 11 3 75 22 30 9 16 23 11 4 7 8 3 2 7 7 3 2 8 12 38 93 12 6 4 8 13 18 34 3 9 7 1 3 8 6 1 4 8 7 1 4 8 5 0 4 8 4 0 4 8 4 0 5 8 4 1 5 8 29 3 5 7 3 2 6 7 3 2 6 6 3 2 6 6 2 2 6 6 2 3 6 6 2 3 7 5 2 3 7 5 1 3 7 5 1 4 7 5 1 4 8 4 1 4 8 4 1 4 8 4 1 5 7 4 1 5 7 3 2 5 7 3 2 5 7 3 2 6 6 3 2 6 6 2 2 6 6 2 3 7 6 2 4 8 7 5 5 9 8 3 5 11 8 4 6 11 8 6 10 20 44 20 41 57 26 7 10 14 6 3 7 9 4 3 6 7 4 2 6 7 3 2 5 6 3 3 6 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 4 1 4 7 4 1 4 7 4 2 5 7 4 2 5 6 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 7 4 2; 1HNMR: 79 79 m 2H | 72 72 dq 2H J 9 84 | 37 37 s 3H | 31 30 m 1H | 28 27 dtt 1H J 9 82 136 | 27 26 m 2H | 25 24 dddd 1H J 11 44 64 139 | 21 20 ddt 1H J 47 64 112 | 20 19 dtd 1H J 57 83 128 | 17 16 m 2H | 16 15 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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CC(C)(C)/C=C/C(=O)O
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ir: 1 0 0 1 1 0 0 1 2 1 2 1 1 1 1 2 1 3 1 3 8 14 13 24 13 2 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 1 0 1 1 1 0 1 2 2 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 2 2 10 11 6 3 2 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 1 1 2 1 4 3 5 5 8 4 2 2 1 0 0 1 1 0 5 10 4 4 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 1 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 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 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 1 1 1 0 0 1 1 0 1 1 1 1 2 5 4 4 3 2 2 1 1 1 1 2 8 6 71 100 21 3 1 1 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 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 1 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 0 1 0 0 0 1 0 0; 1HNMR: 66 65 ddq 1H J 11 20 156 | 60 60 d 1H J 156 | 11 10 d 10H J 10
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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(Nc1cc(C(F)(F)F)ccn1)c1ccc(Br)cn1
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ir: 3 3 6 7 9 8 6 3 2 3 3 2 1 2 3 2 10 9 9 16 29 4 7 12 3 3 5 13 23 5 5 9 9 20 20 27 53 39 19 12 12 7 11 18 41 61 53 15 8 6 7 12 7 15 59 38 9 7 5 0 2 5 3 3 10 7 8 31 31 19 5 0 5 9 9 3 4 4 2 2 3 4 4 5 6 4 3 2 8 10 2 2 4 95 34 5 2 4 32 78 27 5 2 3 3 2 1 4 5 4 6 15 21 22 24 36 7 5 4 29 6 3 3 6 5 5 8 7 18 28 100 42 10 6 25 16 3 3 2 2 2 6 5 6 25 54 18 47 44 86 28 12 21 36 19 10 7 1 4 7 8 12 77 11 4 1 3 4 2 1 2 3 2 0 2 3 2 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 2 2 1 1 2 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 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 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 2 4 4 4 1 5 18 8 94 50 16 5 6 6 4 2 2 2 3 2 1 3 3 4 4 2 6 12 15 5 7 8 14 19 44 21 4 4 4 2 2 3 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 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 99 99 s 1H | 86 86 d 1H J 19 | 85 85 d 1H J 37 | 80 80 d 1H J 82 | 79 79 dd 1H J 19 83 | 77 76 d 1H J 23 | 74 74 ddq 1H J 11 20 42
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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)c1cc(C(C)(C)C)cc2c1Oc1c(C(=O)OC)cc(C(C)(C)C)cc1C2(C)C
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ir: 14 9 9 23 10 22 8 6 2 2 5 3 1 1 1 2 2 1 1 1 1 2 10 2 2 2 6 1 1 1 1 3 2 13 3 1 2 1 4 20 27 3 3 1 1 2 1 0 1 1 5 6 1 1 1 2 2 2 1 1 1 4 6 11 9 10 4 14 20 11 17 5 4 2 1 5 3 1 1 2 1 4 41 3 2 1 1 1 2 1 1 2 3 2 5 2 3 1 1 1 2 26 0 6 3 1 2 1 2 2 3 4 2 14 24 14 6 9 7 7 12 21 10 20 12 8 2 4 3 3 1 8 7 6 43 9 34 8 4 8 8 5 10 12 4 1 4 2 2 3 13 100 34 14 4 4 3 1 2 2 3 0 1 1 2 3 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 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 0 0 1 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 1 1 1 1 0 1 1 1 1 1 2 5 2 3 1 1 1 1 1 2 1 2 4 17 8 47 8 8 22 18 15 8 2 4 1 1 1 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 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 1 1; 1HNMR: 79 79 d 2H J 22 | 74 74 d 1H J 22 | 74 74 d 1H J 22 | 39 39 s 6H | 17 16 s 6H | 14 13 s 17H
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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)C(C)(N)CC(=O)c1ccc(C)cc1
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ir: 2 2 3 2 2 3 2 2 1 4 3 2 1 2 2 2 1 2 2 3 2 4 3 1 0 1 2 2 2 1 1 1 1 1 2 1 1 3 2 5 4 9 5 1 1 4 2 3 4 3 3 1 1 3 6 4 3 3 10 19 17 5 4 4 6 4 2 1 21 47 12 9 10 4 1 2 1 1 1 0 2 3 9 25 14 2 3 2 2 2 2 1 2 2 3 14 8 1 6 4 2 3 3 1 1 2 1 1 2 2 2 2 2 1 2 5 3 5 2 2 4 3 1 2 8 10 11 8 15 25 22 8 28 63 11 10 2 3 4 2 1 8 17 4 1 10 2 3 2 2 5 8 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 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 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 4 4 3 2 2 3 4 4 8 8 23 38 9 5 2 1 1 2 1 0 1 2 3 2 8 7 7 14 6 2 5 4 11 100 96 22 4 2 2 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 1 1 1 1 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 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; 1HNMR: 79 78 m 2H | 73 73 m 2H | 42 41 m 2H | 36 35 m 3H | 33 33 s 0H | 23 23 d 3H J 9 | 15 15 s 3H | 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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O=C(C(c1ccccc1)n1cnc2[nH]ncc2c1=S)N1CCCCCC1
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ir: 4 2 0 2 12 9 4 3 6 16 4 3 18 8 3 5 4 1 2 2 4 1 1 3 2 2 2 2 3 3 4 11 7 35 12 4 5 11 2 12 17 17 8 3 8 3 6 25 24 27 11 12 4 1 4 4 2 0 2 6 2 1 2 3 2 0 2 5 3 2 3 4 2 0 2 3 1 1 3 3 1 1 3 3 4 15 12 5 7 16 9 5 2 2 2 2 2 3 8 3 14 4 5 4 11 5 4 3 4 4 8 6 5 8 8 8 1 2 4 4 2 8 5 2 2 4 5 5 4 4 6 5 4 4 8 9 6 5 4 2 2 3 4 4 26 4 12 7 26 6 3 0 8 4 5 3 100 15 16 8 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 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 0 1 2 1 0 1 2 1 0 1 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 6 4 1 2 4 2 1 3 3 10 4 7 11 12 8 10 3 2 1 3 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 3 26 10 7 11 6 4 3 3 1 1 3 2 1 2 2 2 1 1 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 2 0 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 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 89 89 d 1H J 18 | 85 85 s 1H | 75 75 m 2H | 74 73 m 3H | 60 60 q 1H J 9 | 34 33 m 4H | 16 15 m 4H | 15 14 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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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nncs1
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ir: 8 5 2 10 13 5 4 6 8 10 3 7 6 3 4 8 6 4 3 4 6 3 2 6 18 6 35 14 7 5 8 18 17 25 7 14 44 11 8 15 4 4 96 8 5 3 5 6 18 64 23 60 19 0 3 7 3 0 3 7 5 10 14 6 5 2 5 6 4 2 5 5 2 1 5 14 3 2 6 4 2 1 4 4 2 4 17 3 2 3 4 4 2 7 5 5 7 11 5 9 4 2 5 9 24 13 6 5 27 7 6 4 1 3 6 3 1 4 7 9 12 9 6 3 2 5 11 5 7 12 15 11 4 4 5 2 14 11 11 2 3 9 19 16 94 18 29 22 5 23 7 17 26 15 4 3 3 4 4 1 4 8 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 4 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 5 4 2 3 5 4 1 2 5 3 2 3 7 6 2 5 10 28 7 9 19 32 12 13 11 5 2 4 7 3 2 4 5 3 2 4 4 3 2 4 6 9 13 45 22 100 31 31 10 3 4 4 4 2 2 4 5 2 2 4 3 2 3 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 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; 1HNMR: 91 91 s 1H | 91 91 d 1H J 68 | 76 76 m 1H | 74 73 dd 1H J 15 77 | 72 71 m 2H | 69 68 dq 1H J 7 67 | 61 61 d 1H J 79 | 47 47 dt 1H J 62 77 | 35 34 m 1H | 32 32 ddd 1H J 7 61 156 | 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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O=C1Nc2ccccc2Sc2sc3c(c21)CCCC3
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ir: 6 6 6 6 6 6 9 8 6 10 11 6 6 7 7 7 15 6 5 7 12 6 10 12 6 7 17 13 8 6 8 8 27 24 8 10 9 5 5 8 9 16 15 90 85 8 24 24 19 7 13 9 7 6 6 6 11 8 6 5 6 6 6 5 5 6 5 5 10 6 6 9 9 7 6 10 6 6 5 5 7 12 13 6 5 7 5 5 6 6 6 6 6 20 8 9 6 6 6 6 13 8 7 9 7 5 5 6 7 9 7 8 9 6 5 7 9 6 6 6 9 7 8 10 5 6 6 6 6 6 6 5 6 6 10 18 6 11 7 8 8 13 26 12 6 7 7 14 35 100 5 5 5 7 8 16 48 0 9 17 64 10 6 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 7 8 7 7 6 6 6 6 8 18 12 7 17 74 15 10 6 5 7 7 6 5 6 6 5 5 6 6 5 5 6 6 6 7 12 16 9 41 54 15 16 11 7 5 6 6 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 74 73 ddd 2H J 16 73 159 | 73 72 td 1H J 18 75 | 72 71 td 1H J 13 73 | 30 29 m 2H | 27 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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COc1ccc(CO[C@@H]2CC[C@@H](C=O)N(S(=O)(=O)c3ccc(C)cc3)C2)cc1
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ir: 9 4 8 4 8 9 3 7 10 12 11 21 19 30 6 3 3 3 1 2 2 3 2 3 5 6 1 3 4 3 3 3 22 5 3 6 4 4 7 2 2 2 2 2 3 2 2 4 4 3 7 4 15 22 14 9 5 3 6 8 6 10 9 5 6 1 4 5 10 14 7 4 12 5 5 3 2 3 3 4 0 27 5 9 100 27 6 9 12 28 18 4 4 71 17 8 7 11 4 7 4 4 9 8 5 8 11 5 3 3 4 3 3 4 2 2 2 5 5 6 4 4 7 9 9 10 5 4 4 3 3 2 2 3 2 1 1 1 1 1 1 1 2 2 1 4 13 13 15 5 10 13 7 2 2 3 2 1 1 2 5 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 1 1 1 1 2 2 2 2 2 2 4 2 4 3 4 5 3 4 9 8 15 16 45 30 12 12 7 6 3 4 3 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 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 dt 1H J 9 70 | 76 76 m 2H | 75 74 m 2H | 72 71 dt 2H J 9 83 | 69 69 m 2H | 46 46 dt 1H J 8 119 | 45 44 dt 1H J 9 119 | 41 41 dddd 1H J 25 34 53 60 | 41 40 ddd 1H J 54 70 81 | 38 38 s 2H | 34 33 dd 1H J 26 125 | 31 31 dd 1H J 53 125 | 24 24 d 3H J 10 | 22 21 ddddd 1H J 9 53 62 89 114 | 20 18 m 2H | 17 16 ddt 1H J 61 92 132
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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)CC(CC(=O)c1cnccc1Cl)OC(N)=O
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ir: 2 2 3 2 1 2 2 14 9 16 7 31 22 5 3 3 2 7 4 12 6 5 2 2 2 2 4 2 1 2 3 2 2 3 3 3 6 3 9 6 100 5 5 4 5 2 3 3 2 2 2 3 3 1 2 2 3 3 2 3 2 9 5 2 3 2 2 9 6 5 2 2 2 5 7 3 3 5 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 1 2 3 3 5 4 3 3 5 8 5 6 6 3 4 4 6 5 2 3 2 2 1 2 3 2 4 4 4 3 3 3 2 3 3 3 3 1 3 4 18 2 4 24 29 5 4 2 3 23 3 5 7 27 52 8 1 6 2 0 1 3 2 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 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 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 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 2 3 2 2 2 4 4 6 8 6 7 8 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 23 14 2 2 1 1 2 2 2 2 2 2 5 22 41 4 3 2 2 2 1 2 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 2 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; 1HNMR: 89 89 d 1H J 13 | 86 85 dd 1H J 14 36 | 75 74 d 1H J 35 | 52 51 p 1H J 67 | 43 43 s 2H | 37 36 dd 1H J 66 167 | 34 34 dd 1H J 64 167 | 19 18 dd 1H J 68 139 | 16 15 dd 1H J 68 139 | 9 9 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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N[C@H]1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)CC1
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ir: 6 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 3 1 5 4 4 4 2 2 2 2 2 4 2 2 4 1 3 6 4 4 25 18 4 6 2 3 2 4 2 4 2 5 4 3 7 4 4 6 8 11 7 5 5 4 3 12 4 12 12 10 9 4 5 4 6 8 7 4 4 5 6 9 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 3 4 4 6 6 1 6 3 1 3 3 2 2 2 3 5 2 3 4 4 6 6 2 6 18 12 12 17 24 22 13 3 1 2 2 2 1 2 10 43 94 30 10 3 4 3 2 2 1 2 2 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 1 1 1 1 1 2 2 2 3 4 3 9 5 1 7 17 7 6 2 6 2 2 2 2 1 2 4 4 11 21 15 13 9 7 9 6 9 30 100 39 27 15 5 4 4 3 1 1 1 2 1 1 2 1 0 1 1 1 1 1 2 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 73 72 d 1H J 86 | 36 35 dtt 1H J 33 61 93 | 31 30 m 1H | 20 19 m 2H | 19 18 dddd 2H J 30 54 83 147 | 17 16 m 2H | 16 15 ddt 2H J 56 80 148 | 14 14 d 2H 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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Cc1nc(NCCCc2cccc(O)c2F)nc(C)c1C(=O)O
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ir: 2 2 3 4 3 4 1 4 5 4 2 1 7 5 4 3 2 2 8 3 14 15 33 20 7 6 6 3 2 3 1 1 2 4 7 5 2 4 25 42 2 2 2 1 1 3 2 13 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 5 1 3 2 3 2 5 6 3 11 26 9 2 2 2 4 9 9 2 2 2 2 1 1 2 3 2 0 1 0 0 1 1 2 7 5 2 2 2 2 2 1 3 6 2 1 2 2 4 5 6 2 1 4 4 4 4 5 2 1 1 1 2 1 2 1 2 6 4 9 5 6 17 7 0 0 2 3 22 3 7 28 27 6 100 6 8 6 0 1 1 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 1 2 1 1 5 2 2 3 15 3 1 1 1 1 1 4 38 7 6 1 1 0 1 1 1 1 1 1 1 0 1 6 8 20 54 8 3 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; 1HNMR: 70 70 dd 1H J 86 97 | 68 67 m 2H | 60 59 d 1H J 46 | 55 54 t 1H J 45 | 36 36 td 2H J 45 73 | 28 27 tdd 2H J 9 39 86 | 27 27 s 5H | 21 20 tt 2H J 73 87
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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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Fc1ccc2c(CCNCc3cccc(OCC(F)(F)F)c3)c[nH]c2c1
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ir: 1 3 2 3 2 1 1 1 1 1 2 1 1 1 1 1 1 4 2 6 4 2 1 1 1 3 46 3 1 2 3 4 1 1 5 7 5 4 2 3 3 5 17 8 8 2 22 12 7 3 1 1 2 1 2 5 3 2 2 1 2 2 1 3 3 2 15 17 3 4 4 3 3 0 5 2 1 1 1 2 1 1 1 1 4 1 1 2 1 2 11 3 3 6 2 1 2 3 5 3 3 4 2 8 5 13 9 4 3 18 6 13 29 6 5 4 2 1 1 3 5 3 4 2 2 3 7 6 2 2 1 3 3 2 2 3 6 4 1 3 6 23 1 2 1 0 1 0 0 1 1 1 3 28 12 8 1 0 0 1 1 1 1 1 1 0 0 1 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 1 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 0 1 1 1 1 1 2 1 1 0 1 1 1 3 4 2 7 21 11 10 8 5 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 100 10 2 2 1 2 15 13 1 1 1 1 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; 1HNMR: 91 91 d 1H J 70 | 78 77 dd 1H J 49 84 | 73 72 t 1H J 80 | 71 70 m 2H | 70 70 ddd 1H J 22 84 105 | 70 69 dddd 2H J 10 22 79 109 | 69 68 tt 1H J 9 20 | 48 47 q 2H J 130 | 38 38 dt 2H J 9 54 | 31 31 qd 1H J 44 52 | 31 30 m 2H | 30 30 tt 2H J 9 49
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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)c1ccccc1C(=O)n1nc(O)ccc1=O
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ir: 3 3 2 2 2 2 1 2 7 9 6 2 2 10 7 3 2 2 2 3 25 19 1 4 2 2 2 2 4 4 4 1 1 2 3 2 4 1 3 2 5 6 8 7 3 1 1 1 1 1 1 2 2 1 1 1 1 2 3 7 7 1 2 1 2 5 4 1 1 2 2 1 1 2 2 3 2 2 3 11 15 5 3 3 3 2 3 2 1 1 1 4 3 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 1 1 1 6 2 1 1 2 2 3 2 3 9 4 3 2 1 1 9 6 1 1 1 1 2 2 2 8 10 11 2 2 1 3 9 2 3 6 27 9 7 4 2 2 2 3 2 2 1 1 2 2 2 11 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 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 2 1 2 2 2 4 21 15 28 7 0 2 3 1 7 100 22 3 4 1 0 2 2 1 0 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; 1HNMR: 80 80 s 1H | 80 79 dd 1H J 16 81 | 79 78 dd 1H J 17 82 | 78 77 td 1H J 16 80 | 76 75 td 1H J 16 79 | 69 69 d 2H J 9 | 39 39 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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Cc1ccc(C(=O)Oc2ccccc2)cc1
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ir: 4 3 2 2 3 2 2 4 3 3 3 5 22 32 6 2 2 2 1 2 2 1 1 2 3 1 1 3 5 6 5 4 7 2 2 3 3 7 17 21 10 3 8 4 3 10 3 6 3 0 2 5 5 11 46 2 2 4 2 2 2 4 6 3 4 4 5 5 23 14 3 8 3 7 8 3 2 4 6 3 2 2 2 2 1 1 2 6 7 2 6 1 2 14 2 2 1 2 6 10 8 3 1 2 8 20 4 2 2 2 1 2 2 1 1 2 3 5 27 15 9 5 4 4 8 7 10 3 2 2 2 1 3 3 8 19 8 3 3 3 4 12 34 100 14 17 11 2 3 14 11 33 22 9 3 1 2 2 2 5 3 2 6 2 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 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 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 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 4 12 25 25 80 17 19 14 9 7 3 3 4 3 3 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 82 81 m 2H | 77 76 m 2H | 76 76 m 1H | 75 74 m 2H | 73 73 dq 2H J 16 80 | 23 23 d 3H J 9
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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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CCCCC(=O)C(=C(C(=O)OC)C(F)(F)F)c1ccc(OC2CCCCC2)cc1
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ir: 13 12 18 17 20 31 9 11 16 7 2 8 12 8 7 9 12 4 2 8 10 5 18 13 13 10 3 13 10 9 3 9 9 3 2 9 14 10 5 11 16 7 11 11 9 2 6 15 10 2 6 11 12 3 23 33 36 12 10 11 7 1 7 10 4 1 6 10 8 33 6 13 6 13 23 16 5 4 10 9 3 2 8 8 4 6 10 12 8 2 9 8 8 19 11 9 2 8 76 57 18 12 25 11 14 27 11 10 3 19 17 27 19 21 14 14 14 17 19 14 12 15 20 19 18 22 40 23 21 30 19 4 4 8 14 5 6 9 10 6 23 13 15 10 16 15 100 22 35 24 17 6 20 11 8 9 7 9 6 1 4 9 17 7 4 9 5 1 5 9 5 0 5 9 4 0 5 9 4 1 5 9 4 1 6 8 3 1 6 8 3 2 6 7 3 2 7 7 3 3 7 7 2 3 7 6 2 3 8 6 2 3 8 6 1 4 8 6 1 4 8 5 1 4 9 5 0 5 9 4 0 5 9 4 1 5 8 4 1 5 8 4 1 6 8 3 2 6 7 3 2 6 7 3 2 7 7 2 3 7 7 2 4 8 6 3 4 8 6 3 5 10 8 11 11 19 13 6 7 15 8 7 10 19 25 10 54 75 25 19 9 11 6 1 6 9 5 2 6 8 4 2 6 8 4 2 6 7 3 2 6 7 3 3 7 6 3 3 7 6 2 3 7 6 2 3 7 6 2 4 8 5 2 4 8 5 1 4 8 5 1 5 8 5 1 5 8 4 1 5 8 4 2 5 7 4 2 5 7 4 2 6 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 1; 1HNMR: 77 76 m 2H | 70 69 m 2H | 45 44 p 1H J 47 | 38 37 s 2H | 29 29 t 2H J 88 | 20 19 dddd 2H J 49 63 83 131 | 18 15 m 9H | 15 14 m 2H | 14 13 h 2H J 73 | 9 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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COc1ccc(-c2cc(=Nc3c(C)cc(C)cc3C)n(C)c(Cl)n2)cc1OC
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ir: 4 15 8 6 4 5 4 5 4 3 4 3 5 4 3 3 9 4 11 14 16 15 12 8 11 9 4 5 3 4 8 4 3 3 2 2 4 2 3 2 5 2 2 2 2 2 5 3 4 8 3 2 3 5 23 23 5 2 3 4 6 22 5 5 5 7 8 14 9 4 7 5 32 11 5 5 4 6 4 3 4 2 3 3 2 2 3 13 8 4 8 12 5 3 2 2 2 3 2 3 2 2 2 2 2 2 2 5 4 2 2 3 8 3 3 3 3 3 2 3 4 2 4 4 7 5 6 7 4 6 7 11 6 4 3 5 4 3 25 4 3 3 6 100 0 17 16 11 2 3 6 12 5 4 4 3 3 3 3 4 26 24 9 6 5 13 20 3 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 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 3 4 3 3 4 7 6 8 13 37 22 13 13 7 3 3 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 2 2 2 2 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: 72 72 dd 1H J 20 79 | 71 71 d 1H J 20 | 71 71 d 1H J 79 | 70 70 s 2H | 69 69 s 1H | 39 38 d 7H J 88 | 38 37 s 3H | 23 23 d 9H 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=C(O)CCCCCCCn1c(=O)sc2ccccc21
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ir: 5 5 3 2 2 1 1 7 4 1 1 2 4 2 0 2 2 2 0 20 9 100 17 15 2 3 2 1 0 1 2 1 1 1 1 1 1 1 1 2 2 0 25 2 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 4 2 1 1 1 2 2 4 7 3 1 1 2 1 3 1 2 3 1 4 1 2 1 1 2 1 1 2 3 4 5 5 4 5 2 1 2 1 2 2 5 3 4 2 3 2 1 1 1 2 1 1 1 1 1 2 1 2 3 1 1 1 10 3 16 8 30 1 2 1 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 2 3 7 7 4 1 1 1 1 2 2 19 10 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 100 99 s 1H | 78 78 m 1H | 76 75 m 1H | 74 73 m 2H | 40 40 t 2H J 58 | 23 23 t 2H J 90 | 18 17 tt 2H J 57 70 | 17 16 tt 2H J 76 89 | 14 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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COC(=O)[C@H](CC(C)C)N1CC(Oc2cc(F)ccc2F)=CC1=O
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ir: 2 3 3 2 4 4 4 3 2 2 2 1 1 1 1 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 2 1 3 2 2 15 18 8 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 3 10 4 2 0 1 3 5 2 3 3 1 1 1 3 5 3 1 2 1 6 5 4 3 4 6 17 5 1 2 1 1 6 8 2 4 3 6 1 1 1 2 3 1 2 2 2 6 1 1 1 2 4 6 6 1 2 3 2 4 3 5 3 2 2 2 8 16 9 6 2 2 5 2 2 3 2 3 2 1 1 1 1 2 1 2 1 2 13 5 16 5 1 1 2 9 10 2 1 8 1 1 1 1 0 2 5 100 5 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 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 3 1 1 4 5 3 2 4 14 7 22 10 5 0 1 2 1 0 1 1 1 0 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 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 1 0; 1HNMR: 72 71 ddd 1H J 46 89 102 | 69 68 dddd 1H J 22 37 90 101 | 68 67 ddd 1H J 22 32 121 | 52 52 t 1H J 9 | 47 46 t 1H J 80 | 42 41 dd 1H J 9 132 | 41 40 dd 1H J 9 134 | 37 37 s 2H | 19 18 dt 1H J 78 125 | 17 15 m 2H | 10 9 d 3H J 68 | 9 8 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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CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N
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ir: 4 3 2 12 28 10 2 2 4 6 7 8 8 4 2 2 3 3 1 1 2 2 3 10 5 5 4 4 3 3 1 2 2 4 5 4 4 2 4 15 9 3 1 2 3 0 1 2 2 3 2 2 2 1 5 15 10 3 3 2 1 1 3 3 2 1 2 6 3 1 3 3 1 1 2 3 2 2 2 8 5 1 1 1 1 1 1 2 1 1 2 3 2 2 4 5 2 2 1 20 2 1 3 4 6 7 5 3 1 1 2 2 2 16 10 2 1 1 2 3 4 5 5 2 1 2 2 3 2 4 2 1 1 2 2 1 1 4 10 6 2 2 2 1 3 14 5 1 4 7 28 100 5 5 3 1 6 30 10 2 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 2 2 3 7 4 15 14 7 4 2 1 1 2 1 1 1 1 1 1 1 1 2 3 4 17 9 6 19 19 5 12 7 5 3 11 94 100 7 0 1 3 3 0 0 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 1 1 2 1 0 1 2 1 1 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; 1HNMR: 93 93 s 1H | 75 75 m 1H | 75 75 d 1H J 73 | 71 71 dq 1H J 9 20 | 46 45 s 2H | 27 26 dt 1H J 65 130 | 12 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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COC(=O)C(C)c1ccc(C(=O)Nc2ccccc2)nc1
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ir: 2 3 3 7 2 4 3 3 3 5 4 3 1 2 2 1 1 3 2 2 7 3 2 1 1 2 5 5 5 10 6 2 6 6 9 14 46 9 7 23 18 5 18 13 48 14 6 1 5 2 2 1 1 3 1 9 8 5 2 3 8 2 2 1 2 4 5 26 8 6 7 3 4 6 3 2 6 3 3 4 3 2 1 2 2 1 1 1 2 3 5 6 11 9 4 3 4 6 1 5 57 16 2 10 38 2 1 2 2 2 2 8 3 2 5 5 3 3 4 5 5 12 4 6 3 3 11 3 3 6 12 60 8 5 6 12 5 1 2 2 5 6 4 9 37 12 100 23 9 4 3 16 13 8 17 5 3 1 1 3 34 2 2 3 3 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 2 1 1 2 1 1 1 2 2 1 4 2 4 5 12 18 48 59 33 21 9 10 7 4 5 1 2 3 2 1 2 3 2 1 2 2 4 2 5 9 4 33 31 25 7 2 2 2 1 2 2 1 1 1 1 1 0 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 91 91 s 1H | 86 86 m 1H | 80 80 d 1H J 82 | 78 77 m 2H | 77 77 m 1H | 73 73 m 2H | 72 71 tt 1H J 13 69 | 39 38 m 1H | 37 37 s 2H | 16 15 d 3H J 77
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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)C(C)c1cc(OC)ccc1OC
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ir: 7 6 5 12 4 5 9 4 4 3 6 3 2 2 4 3 3 3 3 2 1 4 3 1 1 4 3 1 3 3 3 2 3 3 2 1 1 5 3 2 1 6 3 0 1 3 2 0 1 3 2 1 7 26 58 5 2 5 3 2 5 8 9 9 25 19 15 41 14 9 7 3 13 12 11 8 5 4 1 0 2 2 1 1 2 3 3 5 7 7 5 4 4 3 4 3 8 2 2 2 4 4 14 7 5 3 3 5 4 3 5 5 6 10 6 8 11 11 16 17 12 5 7 8 11 12 0 5 6 8 0 3 4 2 0 3 3 1 1 5 4 9 18 55 22 9 5 2 3 7 9 6 8 9 16 12 3 1 1 2 2 1 5 3 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 2 2 1 1 2 2 1 0 2 2 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 6 1 2 2 2 1 3 3 2 3 6 11 7 11 32 13 28 100 38 13 3 3 3 4 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 70 70 dd 1H J 7 21 | 69 68 d 1H J 84 | 68 68 dd 1H J 21 85 | 41 40 qd 1H J 7 73 | 38 38 s 3H | 38 38 s 3H | 37 37 s 3H | 15 15 d 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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CCOP(=O)(Cc1ccnc(N2C(=O)c3ccccc3C2=O)c1)OCC
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ir: 5 5 5 5 5 6 12 5 5 7 9 9 6 6 9 9 5 5 5 5 4 6 8 7 8 5 4 5 5 5 5 12 10 8 6 6 5 8 13 47 72 10 10 6 10 6 6 5 9 7 5 5 5 5 5 5 5 7 9 8 5 5 5 5 7 11 10 10 18 14 7 8 13 19 9 4 17 15 7 7 100 6 7 7 5 4 5 5 5 5 5 11 7 5 6 6 6 6 6 5 18 11 5 5 5 5 5 5 7 5 5 5 5 8 9 9 7 6 5 6 5 6 7 7 5 5 5 8 6 6 5 9 28 11 5 6 6 23 33 5 5 6 5 5 5 5 6 18 11 5 5 7 9 0 98 7 8 6 6 12 24 14 6 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 5 5 5 5 6 5 5 5 5 5 6 9 7 6 6 5 5 8 12 8 15 34 29 11 7 6 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4; 1HNMR: 86 85 m 2H | 80 80 dd 2H J 31 51 | 78 78 dd 2H J 31 51 | 74 73 ddt 1H J 9 20 31 | 43 42 dq 4H J 72 84 | 37 36 dd 2H J 10 119 | 14 13 td 6H J 7 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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C[C@H](CCl)COc1cccc(Cl)c1
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ir: 0 1 3 1 0 0 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 2 2 0 1 0 0 0 3 10 22 1 0 1 1 0 0 1 4 1 1 1 1 3 1 6 20 23 12 7 1 1 0 1 2 1 2 1 2 1 1 2 4 1 2 7 14 24 12 29 7 3 2 1 2 3 3 5 5 5 4 6 4 1 1 1 2 10 13 3 1 0 1 0 1 1 1 0 1 1 1 1 1 1 4 2 2 5 10 3 4 1 1 2 1 1 0 3 1 3 2 2 2 2 3 3 3 2 0 1 1 1 0 1 1 1 1 2 14 29 36 4 1 0 0 0 0 0 0 1 3 15 3 25 22 18 2 1 1 8 13 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 2 1 2 3 3 2 3 4 3 5 6 3 9 10 17 100 69 63 9 2 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H | 71 70 m 1H | 69 68 m 2H | 42 41 dd 1H J 44 121 | 39 39 dd 1H J 44 119 | 37 37 dd 1H J 31 110 | 35 35 dd 1H J 31 112 | 23 22 dtdd 1H J 12 32 64 77 | 11 11 d 3H J 66
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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(CC(=O)O)CCc2ccc3ccccc3c2C1=O
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ir: 0 2 2 3 2 2 3 3 1 3 7 11 14 10 12 11 15 20 19 24 17 49 83 32 26 5 9 4 1 1 2 1 1 2 1 1 1 2 3 3 1 4 7 6 5 6 2 2 5 4 7 3 4 21 16 1 2 2 1 1 2 2 1 0 3 4 1 1 3 4 2 0 3 4 6 11 22 26 47 28 18 11 6 3 4 8 5 9 10 4 3 3 2 1 1 1 2 7 14 6 7 3 2 3 3 4 7 7 7 4 3 1 2 2 1 2 3 2 3 6 4 8 1 3 3 2 2 3 3 5 4 8 14 11 7 9 16 5 8 4 3 4 12 15 18 4 2 2 3 2 9 23 3 1 1 2 2 2 10 7 3 1 1 1 1 0 1 3 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 2 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 0 1 2 1 1 1 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 1 1 1 1 1 2 1 1 1 3 3 6 3 4 2 0 2 2 4 2 9 17 11 25 15 17 10 2 2 1 3 3 46 100 20 8 4 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 m 1H | 79 78 m 2H | 76 75 td 1H J 13 74 | 75 74 m 1H | 74 73 dq 1H J 8 84 | 30 28 m 2H | 28 27 m 2H | 23 22 ddd 1H J 51 79 137 | 21 20 ddd 1H J 52 78 137 | 13 12 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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NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1
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ir: 6 10 17 18 4 7 5 5 7 5 5 5 6 9 7 8 12 9 5 5 5 12 6 5 4 4 4 4 5 8 7 4 6 11 8 5 4 5 4 5 7 15 13 7 5 5 6 4 5 4 5 5 7 5 14 7 8 8 7 8 7 18 10 5 6 5 6 5 6 7 5 6 6 7 7 8 7 8 11 20 52 18 25 24 31 37 58 31 19 23 12 7 7 8 6 7 7 7 11 19 9 10 9 8 7 5 6 5 7 5 5 6 8 7 12 15 9 31 0 61 5 9 7 6 7 6 5 5 5 5 5 5 5 4 4 4 5 7 15 7 5 5 6 6 6 6 5 6 8 21 8 7 5 6 4 4 4 4 5 5 4 5 15 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 5 4 4 4 5 5 5 6 5 6 7 4 8 8 9 14 23 34 19 13 7 6 5 5 4 4 5 4 5 5 4 4 4 5 4 8 16 11 9 9 10 47 100 14 6 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 77 76 m 2H | 72 72 m 3H | 72 71 m 3H | 70 69 m 2H | 47 47 dd 1H J 56 63 | 40 39 ddd 1H J 40 60 112 | 39 38 ddd 1H J 40 60 112 | 33 32 m 4H | 30 28 m 2H | 28 27 m 5H | 27 26 dt 1H J 84 124 | 22 21 dtd 1H J 60 84 132 | 20 19 dtd 1H J 60 84 132
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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)c1ccc(-n2cc(CSc3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1
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ir: 8 21 6 7 9 6 6 7 4 4 3 23 5 12 4 9 7 21 14 9 4 4 4 7 6 4 3 2 4 4 3 1 6 8 5 23 5 6 2 4 8 11 62 22 13 3 3 3 3 2 4 5 6 5 64 100 25 26 11 2 33 36 24 9 9 21 4 1 5 12 3 0 3 4 3 3 4 4 3 2 2 5 5 27 96 7 21 15 22 16 3 3 2 3 2 4 16 5 3 22 3 2 1 3 7 21 21 5 4 2 3 4 5 6 3 3 4 4 5 8 8 19 4 18 32 5 6 3 3 3 3 7 9 8 25 21 16 7 5 9 48 5 5 4 3 7 12 52 27 49 12 6 8 2 7 5 3 3 2 4 2 1 4 3 2 1 2 2 2 1 1 3 2 0 2 2 1 0 2 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 1 1 2 2 1 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 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 2 4 5 1 2 3 2 2 4 5 2 2 4 5 8 31 18 28 77 70 41 18 31 10 10 4 4 4 3 3 2 2 3 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 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 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; 1HNMR: 79 78 m 2H | 78 77 m 2H | 77 77 m 2H | 76 76 t 1H J 9 | 75 74 m 3H | 73 72 m 2H | 72 72 td 1H J 20 73 | 44 44 d 2H J 9 | 33 32 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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Clc1ccc(C#CCCCCCCCCCCCBr)cc1
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ir: 1 1 2 1 1 2 1 2 3 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 2 1 2 7 1 2 4 16 8 3 3 4 5 2 11 2 2 3 1 2 2 1 2 3 9 7 39 6 12 2 2 1 2 1 1 1 2 1 1 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 6 2 2 1 1 1 1 1 1 1 2 2 1 2 3 7 9 4 3 3 3 4 17 5 2 1 4 10 4 3 4 7 2 7 5 17 19 6 3 6 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 2 2 0 7 17 25 7 3 0 4 5 3 2 1 1 2 1 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 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 2 6 4 13 5 4 4 2 2 3 2 5 20 33 81 11 100 31 10 3 5 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; 1HNMR: 74 74 m 4H | 34 34 t 2H J 47 | 25 24 t 2H J 59 | 18 17 tt 2H J 48 76 | 16 14 m 4H | 14 13 m 6H | 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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CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc(N)c(-n3ccnc3)cc21
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ir: 12 8 7 5 8 9 10 7 7 7 8 8 7 8 6 7 9 7 14 7 6 8 18 19 9 9 7 5 5 5 6 6 5 6 8 31 23 6 11 19 7 6 6 4 4 5 5 4 5 6 5 7 7 7 4 4 4 6 5 3 9 5 4 2 9 19 15 37 15 6 16 8 11 10 10 18 5 5 5 5 9 17 13 23 8 6 5 6 4 5 7 5 9 15 5 8 10 7 7 7 14 9 8 5 4 18 4 8 6 5 8 16 7 9 13 15 7 11 10 9 10 16 7 7 7 5 9 7 6 5 9 10 6 7 7 5 4 4 4 4 5 6 5 12 7 9 5 7 5 7 5 4 9 5 6 10 25 14 33 19 8 7 6 5 4 7 5 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 5 6 9 6 4 6 7 25 13 8 6 6 6 7 12 16 23 7 10 31 23 29 25 9 7 4 5 7 9 29 38 7 5 4 4 4 4 13 11 6 3 3 4 5 3 2 6 6 0 20 100 2 7 5 2 3 5 4 2 3 5 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 4 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 3 4 4 3 3 4 4 3 3 4 3 3 3 4; 1HNMR: 86 86 s 1H | 83 83 t 1H J 16 | 79 79 dd 1H J 17 37 | 77 76 dd 1H J 17 38 | 72 72 s 1H | 57 57 s 2H | 49 49 s 2H | 42 41 q 2H J 66 | 13 12 t 3H J 66
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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)[C@@H](N)CC1CCCCC1
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ir: 3 1 0 1 3 2 2 2 1 4 4 3 2 2 3 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 2 1 2 1 2 6 5 3 2 2 2 3 3 2 5 7 2 3 3 21 16 10 8 13 24 42 22 23 7 8 24 18 18 39 12 11 13 6 11 22 31 3 2 2 1 1 2 1 1 3 1 3 7 4 2 4 1 1 4 2 3 7 2 4 3 4 4 7 4 15 1 5 2 6 1 3 6 16 13 6 2 4 3 5 11 15 27 20 41 100 65 17 4 4 3 1 2 3 3 2 26 10 3 4 1 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 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 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 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 4 3 3 3 2 4 4 2 3 3 14 2 2 2 1 0 1 1 1 1 1 3 3 4 3 4 8 10 31 34 12 6 5 3 10 62 68 11 5 1 2 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 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: 50 49 d 2H J 67 | 37 37 m 1H | 37 37 s 3H | 20 19 ddd 1H J 68 75 145 | 18 17 ddd 1H J 67 76 145 | 17 16 tp 1H J 63 75 | 15 13 m 8H | 12 11 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)Oc1ccccc1N1CCN(CC2CC(CN3CCc4ccc(N)cc43)=NO2)CC1
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ir: 56 42 25 18 30 18 19 6 5 8 11 3 4 6 2 8 4 5 4 5 6 7 8 4 4 3 3 6 7 7 27 7 3 8 4 4 3 3 3 1 2 9 78 46 18 1 6 30 12 3 3 8 5 18 25 4 7 1 3 18 3 6 3 4 9 3 12 14 16 11 12 13 14 28 8 2 6 12 13 39 50 23 17 35 15 38 9 14 2 5 7 8 2 7 9 7 11 7 8 10 19 9 3 9 4 4 6 13 3 3 4 4 3 5 2 2 1 3 18 4 2 5 6 10 5 9 7 7 14 10 2 6 1 3 2 3 3 16 33 2 1 4 10 10 10 12 7 3 6 15 4 2 5 27 10 37 48 28 5 2 7 5 15 100 27 6 2 3 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 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 5 3 10 3 5 2 7 5 9 5 5 27 15 16 82 32 8 6 3 2 1 2 2 1 0 1 1 1 1 1 3 6 43 28 8 3 1 0 1 2 2 2 1 9 81 23 6 2 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 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 0 1 1 0 0 1 1 0; 1HNMR: 70 69 dt 1H J 8 79 | 69 68 m 2H | 68 67 m 2H | 64 63 m 2H | 47 46 hept 1H J 55 | 45 44 tt 1H J 41 64 | 43 41 m 4H | 36 36 m 2H | 31 30 dd 1H J 64 148 | 30 29 dd 1H J 41 120 | 29 29 td 2H J 9 44 | 28 27 m 10H | 13 13 d 6H J 57
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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)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](NC(=O)OC(C)(C)C)C1
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ir: 12 5 6 4 2 5 4 4 5 6 4 2 1 2 3 1 1 2 2 2 1 4 3 2 4 5 5 16 16 17 9 9 14 10 14 5 8 11 12 20 15 15 3 0 2 3 2 1 1 2 2 0 1 3 2 2 3 3 1 0 2 4 2 3 2 4 12 4 4 3 2 1 3 3 2 1 2 3 2 2 2 2 4 1 3 2 2 1 4 3 1 1 5 4 3 2 4 3 2 3 3 2 3 2 5 3 3 5 9 7 1 4 10 7 3 9 5 4 7 8 10 5 6 9 6 4 4 4 5 6 4 6 5 4 2 4 4 3 4 5 3 9 5 18 31 26 100 25 7 28 3 3 2 1 2 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 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 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 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 3 2 2 2 2 3 3 3 2 4 6 6 3 12 26 7 6 9 4 4 2 1 2 3 2 1 1 4 2 1 2 2 2 1 2 3 2 1 3 7 12 19 68 18 5 5 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 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 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 73 m 6H | 58 58 d 1H J 82 | 51 50 m 3H | 39 38 m 2H | 29 29 s 5H | 25 24 m 1H | 21 21 ddd 1H J 44 85 146 | 20 18 m 3H | 17 16 dddd 1H J 44 58 84 139 | 16 15 ddt 1H J 58 88 144 | 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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O=C(NCC#CCCl)C(O)(c1ccccc1)C1CCCCC1
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ir: 12 23 15 17 13 4 7 5 1 4 6 2 2 2 3 2 2 4 2 2 2 3 4 4 2 13 5 13 14 13 5 13 25 25 15 8 26 37 10 7 15 23 7 6 5 15 8 2 4 8 6 1 3 4 5 5 3 3 3 3 3 3 3 1 4 5 1 2 3 11 7 5 3 4 3 1 11 18 8 15 4 4 3 10 9 4 2 2 8 13 22 14 10 3 7 2 4 3 5 2 3 2 3 2 3 1 7 6 8 5 4 7 12 19 35 14 7 4 8 6 6 5 2 8 6 3 5 2 2 2 1 1 2 2 3 21 4 2 2 3 3 2 7 12 26 76 35 7 5 4 4 2 3 4 3 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 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 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 3 3 2 2 2 3 2 2 5 8 15 6 10 29 9 4 3 1 2 4 35 11 5 4 1 1 2 2 2 1 3 2 2 5 2 11 9 12 100 43 4 4 2 1 1 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 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 0 1; 1HNMR: 75 74 m 2H | 74 73 m 3H | 71 71 t 1H J 32 | 46 46 s 1H | 42 42 t 2H J 25 | 41 40 m 2H | 26 25 p 1H J 64 | 19 18 m 2H | 17 14 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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NC(=O)c1nc(-c2cc(Br)ccc2F)ncc1N
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ir: 0 0 4 1 0 1 3 1 0 1 1 6 4 4 5 4 4 2 4 3 4 13 12 24 8 17 14 2 3 3 4 4 3 11 31 5 6 39 13 6 2 1 1 0 1 1 1 1 2 1 1 4 14 26 13 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 2 0 1 2 2 1 1 2 3 0 1 2 4 6 5 11 6 4 2 2 1 1 1 1 2 1 3 1 0 1 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 3 2 6 1 1 1 0 0 1 1 2 9 1 1 0 0 0 1 3 1 1 1 1 1 3 39 8 5 13 5 3 46 3 1 1 4 29 10 11 73 1 3 1 34 15 2 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 1 1 4 30 8 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 16 56 1 1 1 0 0 1 1 1 2 6 9 100 9 2 2 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 79 79 dd 1H J 26 35 | 77 76 ddd 1H J 26 36 75 | 73 72 dd 1H J 75 101 | 72 71 s 2H | 62 62 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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COC(=O)C=Cc1cc(C)cnc1C(=O)OC
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ir: 37 30 43 55 54 58 43 10 11 9 10 5 3 6 5 4 3 6 30 12 3 6 8 34 1 4 4 2 2 8 30 3 3 4 5 17 9 10 33 100 40 11 11 4 4 3 3 14 3 2 3 2 2 3 4 2 2 4 5 2 5 5 9 14 19 9 7 14 22 7 5 5 8 5 8 20 6 6 10 7 15 12 45 34 6 9 10 5 13 4 3 3 4 4 16 7 5 3 2 2 3 5 11 14 3 9 7 7 6 11 15 63 11 10 0 14 7 4 14 5 6 6 4 7 9 12 50 31 52 26 21 9 3 4 4 4 4 2 6 5 17 41 17 7 7 14 11 19 12 10 13 13 9 10 22 4 6 4 3 2 13 2 3 4 4 6 9 12 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 3 3 2 3 4 4 4 3 7 5 7 8 11 37 70 40 49 15 13 14 8 7 3 3 2 4 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; 1HNMR: 85 85 dd 1H J 8 17 | 80 79 m 2H | 65 65 d 1H J 168 | 39 39 s 3H | 38 37 s 3H | 24 24 d 3H J 9
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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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Nc1ccn([C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1
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ir: 5 9 15 6 10 4 11 22 16 10 11 7 5 5 3 11 6 6 4 6 9 5 3 5 3 4 5 3 9 5 4 7 6 3 3 3 4 5 6 5 3 7 4 3 13 14 6 14 7 4 3 5 3 2 2 1 4 3 2 0 2 4 4 2 2 6 3 1 1 2 3 2 2 5 2 4 5 4 8 19 4 6 3 2 2 7 16 10 22 29 14 7 7 10 6 5 8 17 13 5 7 5 6 11 3 7 3 4 2 1 2 2 3 1 0 1 1 1 1 2 2 1 1 2 2 1 2 1 4 6 4 3 5 5 9 2 2 1 2 4 3 1 1 2 2 3 5 5 15 21 28 14 11 33 13 4 2 3 1 4 3 3 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 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 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 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 2 2 1 2 3 4 7 15 20 3 13 42 9 6 3 2 1 1 2 1 2 2 12 4 2 1 1 1 1 2 3 1 3 17 100 1 3 2 4 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 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; 1HNMR: 78 77 dd 1H J 17 74 | 70 70 s 2H | 61 61 d 1H J 73 | 57 57 ddd 1H J 18 39 56 | 49 49 d 1H J 64 | 44 44 d 1H J 62 | 44 43 d 1H J 62 | 40 40 dddd 1H J 38 55 62 92 | 39 39 dd 1H J 30 113 | 39 38 m 1H | 37 37 dddd 1H J 37 48 60 88 | 36 36 dd 1H J 59 114
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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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CCOC(=O)NC(C(=O)OC)C(c1ccccc1)c1ccccc1
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ir: 19 21 15 4 2 1 1 2 5 11 20 10 6 2 1 1 3 0 1 3 2 2 3 7 9 13 12 18 21 23 28 35 58 100 31 6 8 10 6 33 58 24 6 3 2 4 2 0 2 3 1 0 1 1 1 0 1 2 1 0 1 3 1 2 2 7 8 3 9 22 6 3 4 5 3 6 3 4 5 7 6 3 2 2 2 1 1 2 2 5 6 13 5 2 1 2 6 6 5 4 3 2 4 2 3 3 4 8 10 2 3 4 12 17 6 6 4 6 5 8 14 11 8 5 6 3 4 4 9 4 3 4 2 5 11 28 8 4 5 5 5 8 25 83 82 16 30 40 17 72 7 6 11 3 2 1 1 1 0 3 2 1 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 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 1 1 1 1 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 1 0 1 1 1 1 1 1 1 2 2 2 3 4 4 3 6 12 12 30 59 88 18 11 11 4 2 2 3 2 4 1 2 1 1 2 1 2 0 1 4 5 4 12 31 56 20 11 2 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 8H | 73 72 ddt 2H J 31 62 73 | 53 53 d 1H J 91 | 50 49 m 1H | 49 48 dd 1H J 83 91 | 42 41 q 2H J 63 | 37 37 s 2H | 12 12 t 3H 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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CC1C=CC2=C(CCCC2)C1=O
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ir: 2 1 0 1 2 1 0 1 1 0 0 2 1 3 3 6 5 0 2 4 22 7 1 4 11 1 1 9 2 1 1 1 1 1 1 1 2 1 4 16 21 8 4 3 3 1 2 6 6 11 21 6 2 3 1 2 2 5 1 1 1 1 1 1 1 0 1 3 1 1 2 3 2 0 1 5 3 1 1 1 1 1 1 12 7 2 3 2 6 14 4 2 0 1 1 2 1 2 12 3 1 1 3 8 11 4 2 5 11 11 7 7 2 4 14 9 5 8 15 15 6 2 3 3 2 2 2 3 3 1 1 1 1 2 2 3 1 3 75 19 20 5 3 3 2 1 1 1 1 1 1 1 1 3 15 25 2 2 10 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 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 2 2 1 2 5 6 6 4 3 2 4 5 10 11 9 23 27 100 17 8 1 2 2 1 1 1 1 1 0 1 1 1 1 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 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 1 0 0 1 1 0 1 1 1 0; 1HNMR: 67 66 ddq 1H J 10 75 95 | 66 65 ddt 1H J 10 19 100 | 33 32 pd 1H J 18 72 | 25 23 m 4H | 18 16 m 4H | 12 12 dd 3H J 10 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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COC(=O)C1CCN(c2ccc(Cl)cc2NC(=O)NC(=O)c2cc(F)c(F)cc2Cl)CC1
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ir: 2 1 1 1 2 3 3 2 2 2 1 1 2 3 1 2 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 3 1 2 1 5 1 8 2 2 1 1 2 1 1 1 1 1 13 3 3 2 1 2 3 9 18 10 6 3 1 4 2 12 11 2 2 2 1 1 1 1 1 1 1 1 1 1 1 3 1 3 3 2 3 2 2 1 3 3 4 2 2 3 1 1 2 3 1 1 2 3 2 2 2 1 2 2 3 3 2 1 2 3 3 2 2 2 1 1 1 1 1 1 2 2 1 1 2 3 3 1 2 2 4 1 2 1 4 21 3 2 4 2 3 11 14 2 38 4 2 100 8 1 1 1 3 2 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 1 0 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 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 2 2 1 1 1 2 1 1 2 3 4 3 36 7 1 1 2 1 0 1 1 1 0 1 2 1 1 2 1 1 0 1 2 2 1 3 8 45 12 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 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 0 1 1 1 0 1 1 1 0; 1HNMR: 95 94 s 1H | 77 76 dd 1H J 47 121 | 76 76 d 1H J 22 | 75 74 dd 1H J 44 121 | 71 70 dd 1H J 22 86 | 68 68 d 1H J 87 | 37 36 s 3H | 36 35 ddd 2H J 57 84 123 | 34 33 ddd 2H J 58 85 123 | 28 28 p 1H J 58 | 23 22 ddt 2H J 57 84 126 | 20 19 ddt 2H J 58 84 126
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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[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)C(=O)OCc1ccccc1
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ir: 3 1 3 3 1 4 2 2 2 3 2 2 2 2 4 1 4 4 2 1 1 4 1 3 3 0 3 2 11 2 2 2 8 6 4 3 4 1 2 11 8 3 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 0 1 1 2 1 2 0 1 2 0 1 1 0 1 1 1 0 1 1 1 3 1 0 1 0 1 1 0 0 1 0 3 1 1 1 1 5 16 18 6 2 2 3 1 1 2 1 1 2 3 2 2 1 1 1 1 0 2 1 1 1 3 3 8 9 2 2 1 1 2 2 1 3 6 2 1 0 1 3 1 1 1 1 3 6 12 100 21 7 4 8 2 17 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 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 1 1 1 1 1 0 1 1 1 1 0 1 2 2 5 12 2 4 6 2 1 2 5 31 20 11 6 1 1 0 1 1 1 2 1 1 2 2 1 4 2 11 12 30 30 5 2 0 1 1 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 0 0 0 0 0 0 0; 1HNMR: 74 73 m 7H | 61 61 d 1H J 81 | 52 52 d 1H J 119 | 52 51 d 1H J 119 | 45 45 d 1H J 49 | 44 43 m 2H | 41 40 qt 1H J 50 62 | 18 17 m 1H | 15 14 m 2H | 14 14 s 7H | 11 11 dd 3H J 15 62 | 10 9 m 3H | 9 8 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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NC(=O)c1c(-c2ccsc2)noc1N
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ir: 6 12 21 26 7 9 4 7 14 4 4 4 11 8 10 9 15 31 10 5 18 5 7 6 6 6 6 7 6 4 3 5 8 6 4 13 6 5 6 7 7 0 8 8 11 14 10 25 15 5 15 14 8 4 4 5 6 14 7 18 8 6 24 12 14 32 57 14 15 9 11 16 5 3 6 8 9 13 10 9 4 4 5 4 4 6 4 4 3 3 14 19 3 9 7 5 4 3 6 8 19 8 7 10 4 2 5 4 2 7 26 7 3 5 7 3 1 4 5 5 4 6 22 13 2 5 5 2 3 12 22 45 10 8 5 2 6 5 7 8 14 6 4 4 11 7 11 3 2 3 4 1 3 7 48 100 8 4 4 58 10 4 3 1 2 4 2 0 2 4 2 0 3 5 2 0 10 21 2 1 2 4 2 1 2 4 2 1 3 3 2 2 3 3 2 1 3 4 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 3 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 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 3 2 2 3 3 1 3 4 3 2 3 5 3 1 4 15 18 25 18 35 9 4 5 4 4 2 4 5 6 10 4 7 3 4 12 54 10 61 15 11 3 47 10 5 2 2 4 5 1 46 44 3 3 3 3 3 2 2 4 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 3 4 3 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 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 2 1; 1HNMR: 79 79 s 2H | 78 77 t 1H J 17 | 75 75 dd 1H J 17 58 | 75 74 dd 1H J 16 59 | 69 69 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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CSC(=O)C(=O)c1csc(N)n1
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ir: 11 17 7 6 6 5 14 11 8 7 11 5 5 4 4 5 2 2 3 3 2 3 3 7 2 4 2 1 4 5 4 1 1 5 5 1 2 3 2 3 7 2 3 4 1 2 2 2 1 1 4 7 4 3 2 0 1 10 28 11 5 3 1 1 1 1 2 1 1 1 2 2 1 2 1 4 3 3 4 11 24 2 3 2 2 2 3 1 2 6 3 5 8 6 3 6 6 6 2 1 2 1 1 2 2 1 1 1 2 2 10 8 2 2 4 5 2 3 2 1 3 38 11 26 3 1 0 1 1 2 0 1 1 0 0 1 1 1 1 1 1 1 1 4 4 2 1 2 2 3 16 26 57 12 10 3 1 1 1 2 1 2 5 1 1 1 0 1 1 0 1 1 1 0 0 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 6 5 4 1 0 5 7 2 1 2 1 1 1 2 2 1 1 2 3 2 3 4 28 100 22 11 4 4 6 7 6 9 11 58 76 63 5 5 8 8 7 3 3 4 7 9 3 3 2 3 1 1 1 1 1 0 1 1 0 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 s 1H | 66 65 s 2H | 25 25 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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Cc1c(Cc2cccnc2)nnc(N2CCN[C@H](C)C2)c1C
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ir: 3 17 48 39 9 6 11 11 9 6 9 6 4 8 13 12 3 6 12 12 11 21 18 9 15 19 16 44 27 16 19 6 18 19 58 4 7 16 11 10 12 11 15 10 11 28 53 27 18 10 37 56 29 32 14 7 22 18 15 9 16 21 21 21 22 16 15 43 17 24 28 3 16 14 22 6 8 19 15 42 25 11 12 4 9 7 29 26 16 11 3 5 10 9 5 10 17 23 14 8 15 18 7 8 29 22 8 18 13 10 55 60 100 26 33 32 23 28 26 22 27 24 38 28 21 18 13 14 23 23 16 14 47 41 19 29 21 37 19 23 14 8 5 8 43 25 3 10 7 4 7 24 25 59 10 8 8 5 31 40 10 2 4 10 5 0 4 8 4 0 4 9 4 0 4 8 4 0 5 8 3 1 5 7 3 1 5 7 3 2 5 7 3 2 6 6 3 2 6 6 2 3 6 6 2 3 6 5 2 3 7 5 1 3 7 5 1 4 7 5 1 4 7 4 1 4 7 4 1 4 8 4 1 4 7 4 1 5 7 3 2 5 7 3 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 3 3 6 6 2 3 7 6 3 4 9 9 6 6 10 10 8 7 7 6 8 6 11 12 24 45 30 14 31 29 13 10 2 6 9 6 4 6 9 4 4 6 7 6 5 9 12 57 34 23 26 5 2 7 6 3 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 7; 1HNMR: 86 85 dq 1H J 9 21 | 84 84 ddd 1H J 13 20 42 | 76 75 dtt 1H J 9 20 75 | 72 72 dd 1H J 42 75 | 43 42 d 2H J 9 | 38 36 m 3H | 35 34 dd 1H J 49 130 | 31 29 m 2H | 29 29 ddt 1H J 35 59 126 | 23 23 s 2H | 23 22 dt 1H J 35 68 | 21 21 s 2H | 12 11 d 3H J 66
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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)NC(C)C
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ir: 9 4 2 3 3 3 6 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 3 3 6 21 22 54 27 45 58 16 5 1 2 4 2 0 2 2 1 0 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 7 5 3 2 2 1 2 7 3 8 7 6 10 2 4 3 1 1 3 2 2 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 2 2 2 2 2 4 5 3 2 3 2 4 2 12 9 5 6 4 13 11 4 6 3 2 1 2 3 5 3 3 7 1 0 2 2 0 0 2 2 0 2 3 6 3 79 100 20 10 26 5 19 12 2 3 2 1 1 1 1 0 1 2 1 0 1 1 1 0 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 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 1 0 1 2 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 2 2 1 1 2 2 1 1 2 2 2 2 6 4 5 6 5 11 8 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 3 4 5 6 22 12 16 21 10 4 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 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: 47 47 d 1H J 81 | 41 41 q 2H J 63 | 36 35 dp 1H J 57 81 | 12 12 t 3H J 63 | 11 10 d 5H J 58
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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=c1cc(COC2CCCCO2)occ1CCCO
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ir: 1 3 2 2 4 7 7 4 5 2 2 2 2 2 3 3 1 2 3 4 2 3 3 1 1 4 1 1 2 1 1 1 1 2 3 5 4 1 1 4 5 5 7 12 2 2 2 4 7 9 3 1 2 5 3 2 6 14 4 1 3 2 3 4 8 6 5 24 27 10 4 3 4 2 5 3 5 6 4 20 13 5 3 4 5 12 22 33 17 24 15 13 6 4 6 12 4 2 3 3 3 2 1 2 5 3 3 17 7 5 4 3 3 2 4 4 4 3 2 3 4 5 5 7 5 3 3 3 7 6 2 3 2 2 5 3 2 1 1 1 1 12 15 3 2 1 1 1 1 1 2 18 1 2 1 1 1 1 1 0 1 100 2 3 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 2 2 3 3 3 8 5 2 2 3 4 5 3 14 15 9 4 7 9 73 5 6 5 1 23 26 13 5 5 2 3 3 2 2 2 2 2 1 2 2 2 1 2 2 2 2 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 1 1 1 1; 1HNMR: 75 75 t 1H J 13 | 60 60 t 1H J 14 | 51 50 t 1H J 59 | 48 47 t 1H J 33 | 47 46 dd 1H J 14 144 | 45 45 dd 1H J 15 145 | 39 38 m 1H | 36 35 q 3H J 59 | 25 25 td 2H J 13 79 | 18 17 m 4H | 16 16 m 1H | 16 15 dddd 2H J 12 23 38 89 | 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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Clc1ccc(C2(c3ccc(I)cc3)CO2)cc1
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ir: 1 1 1 1 1 1 0 3 4 2 2 3 10 2 1 1 7 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 2 0 1 1 2 3 3 3 4 3 1 2 1 0 2 4 3 25 10 62 2 3 1 1 1 0 6 0 1 1 1 1 11 5 1 0 1 1 1 1 1 2 7 2 4 5 1 6 3 1 1 1 3 25 6 2 0 1 1 3 8 1 3 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 4 2 4 26 5 9 18 8 4 5 5 3 1 1 2 1 1 1 1 1 0 1 1 0 0 1 3 4 7 11 42 25 14 8 4 12 9 2 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 3 4 3 3 14 13 34 100 38 4 23 7 2 3 4 2 1 1 1 1 1 1 1 1 0 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 1 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; 1HNMR: 77 76 m 2H | 74 73 m 2H | 73 73 m 2H | 73 72 m 2H | 43 43 d 1H J 46 | 41 41 d 1H 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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COc1ccc(NC2C=CC3=Nc4ccccc4SC3=C2)cc1
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ir: 1 2 5 2 5 3 4 5 4 8 6 3 6 6 5 3 6 3 3 3 2 1 2 2 3 1 1 1 1 1 1 1 1 1 1 3 1 2 4 7 2 6 23 4 9 100 7 1 2 1 1 1 3 9 19 32 2 1 3 8 4 1 5 1 4 10 2 2 1 8 2 0 1 2 2 2 12 8 2 2 1 1 1 7 0 2 3 2 7 1 2 3 1 1 1 0 5 1 8 2 0 0 2 6 16 4 6 5 10 1 5 2 2 2 1 1 1 0 0 0 1 0 0 1 1 2 3 2 1 1 0 1 1 1 1 2 24 10 1 6 3 3 6 7 17 10 19 15 7 30 23 63 35 13 6 2 1 2 2 1 1 4 2 9 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 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 2 2 2 8 6 60 71 66 8 5 5 2 1 0 1 1 1 1 0 1 1 1 0 1 1 1 4 8 7 10 26 34 18 3 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 76 75 dd 1H J 17 64 | 75 75 ddd 1H J 18 66 75 | 74 74 td 1H J 13 65 | 74 73 dd 1H J 13 75 | 70 70 dd 1H J 17 98 | 68 68 m 2H | 67 66 m 2H | 63 63 dd 1H J 13 49 | 62 61 ddd 1H J 13 48 97 | 54 54 dtd 1H J 17 49 74 | 53 53 d 1H J 73 | 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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C(=C/c1ccc2ccccc2c1)\CCn1ccnc1
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ir: 2 1 1 3 2 7 5 1 1 3 8 3 5 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 6 17 2 1 2 3 7 5 2 19 4 1 6 14 6 2 2 1 0 7 9 18 5 2 1 4 5 9 8 10 4 2 1 1 4 4 5 3 3 6 8 27 13 8 9 3 2 2 15 1 2 2 2 0 0 2 2 1 1 5 11 52 32 7 18 3 4 5 5 19 17 13 2 2 3 5 5 2 17 11 6 8 5 10 12 8 8 2 2 7 6 3 7 3 3 4 4 3 4 3 6 4 8 3 2 2 2 1 1 1 2 2 4 3 10 9 1 0 8 62 7 3 0 4 15 5 1 1 1 1 1 1 3 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 2 3 3 5 3 2 2 3 2 2 7 8 16 16 35 100 34 47 9 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 3H | 78 78 dp 1H J 8 19 | 78 77 t 1H J 22 | 76 75 m 3H | 72 71 ddt 1H J 9 18 38 | 71 70 dd 1H J 16 38 | 65 65 dt 1H J 14 145 | 60 59 dtt 1H J 9 44 142 | 42 41 ddt 2H J 9 59 68 | 27 26 tdd 2H J 13 43 58
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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(=O)OC(=O)CCC
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ir: 11 8 10 11 13 19 4 11 8 5 2 5 5 3 1 3 4 7 15 11 6 2 1 3 3 1 1 3 3 1 1 3 5 5 5 4 4 2 3 8 8 6 7 6 3 2 2 4 3 1 2 4 2 1 2 4 3 0 4 4 2 0 2 4 2 0 2 3 1 0 3 3 1 1 3 3 2 0 2 3 1 0 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 6 5 2 3 4 3 2 6 13 14 41 18 16 7 7 6 11 15 11 20 11 8 10 13 7 4 3 4 4 2 3 6 7 7 1 7 5 5 6 7 26 19 50 100 80 60 8 5 4 2 2 3 3 1 2 3 2 0 1 3 2 0 1 3 2 0 1 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 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 3 4 7 3 5 5 7 6 3 2 5 9 4 7 12 9 11 7 7 3 1 2 3 2 0 2 3 1 1 2 3 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 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0; 1HNMR: 24 24 t 4H J 71 | 17 16 m 4H | 10 9 t 6H J 77
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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)OC[C@H]2CCCC[C@@H]2O)cc1
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ir: 19 13 12 7 9 11 26 13 0 20 35 8 46 12 21 12 8 5 2 5 4 3 2 2 8 2 1 1 1 0 1 4 3 1 1 1 1 1 2 2 2 5 9 10 5 3 4 5 3 1 2 4 5 55 3 3 2 2 1 1 2 1 3 6 8 15 7 6 8 20 5 4 3 2 2 3 2 3 1 2 4 20 3 8 100 7 3 3 29 8 18 36 38 25 25 11 5 1 2 1 4 3 3 3 3 3 2 1 1 2 1 2 4 2 2 4 1 3 6 10 5 4 2 3 9 11 11 7 3 2 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 2 11 6 3 2 1 1 3 1 0 0 0 0 0 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 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 1 1 1 1 2 1 1 3 1 3 1 2 5 10 5 5 22 25 6 5 2 1 5 56 10 3 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 0 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 41 40 dd 1H J 68 121 | 38 38 m 2H | 26 25 d 1H J 57 | 24 24 d 3H J 10 | 20 18 dddd 1H J 48 69 82 137 | 18 14 m 9H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
Fc1ccc2c(-c3ccc4nc(CC5CCNCC5)oc4c3)c[nH]c2c1
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ir: 1 4 26 6 8 3 3 4 12 25 9 3 6 2 2 2 6 3 7 12 13 8 4 6 6 6 21 43 3 4 1 4 16 8 9 4 10 10 11 3 5 4 3 3 3 4 6 12 13 50 49 67 8 14 30 56 30 0 7 5 6 4 4 2 31 23 70 42 6 2 3 1 2 1 2 2 2 0 2 2 1 1 2 5 2 4 1 3 3 2 2 5 13 5 5 3 2 7 16 5 18 5 4 9 2 4 7 15 11 38 26 16 30 11 16 30 36 8 3 6 17 5 1 3 10 9 5 13 30 6 10 11 22 10 10 9 6 8 25 5 6 100 3 5 32 11 7 2 6 9 15 17 21 15 26 4 4 1 1 2 2 0 6 2 1 2 1 0 0 1 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 1 2 1 1 1 2 2 2 3 2 6 2 2 3 4 3 3 10 25 9 25 67 59 34 15 16 7 4 9 2 2 2 3 4 3 2 3 5 7 8 17 35 13 6 5 4 8 49 15 4 6 2 2 1 1 1 0 0 1 1 2 4 1 1 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 97 97 d 1H J 71 | 80 79 dd 1H J 50 82 | 77 77 m 1H | 77 76 dd 2H J 19 67 | 74 74 d 1H J 71 | 72 71 dd 1H J 21 121 | 71 70 ddd 1H J 22 82 104 | 51 51 p 1H J 39 | 29 28 m 4H | 27 26 dddd 2H J 24 40 51 134 | 21 19 tt 1H J 56 64 | 18 17 dddd 2H J 24 51 66 134 | 15 14 dddd 2H J 24 50 64 136
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
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ir: 31 15 7 10 24 11 19 15 11 6 6 11 33 12 15 10 7 3 4 21 15 3 4 25 26 3 3 7 7 2 4 15 34 3 9 10 9 17 5 11 9 30 96 46 13 4 25 8 5 3 6 8 8 19 15 37 15 1 5 9 5 3 6 16 8 9 10 33 26 3 14 17 13 6 11 17 4 5 15 9 6 6 7 7 5 9 24 27 11 5 8 33 22 5 8 12 4 4 15 6 2 6 35 25 6 4 8 7 15 7 9 6 3 4 9 6 1 18 58 15 25 10 10 6 1 5 8 3 4 7 10 4 1 7 35 12 39 8 21 12 15 12 33 20 17 8 8 33 57 28 25 4 3 9 19 2 4 8 8 5 3 7 14 3 3 6 4 0 3 7 3 0 3 7 3 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 2 1 5 6 2 1 5 5 2 2 5 5 2 2 5 5 1 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 4 1 3 5 4 2 6 8 6 4 4 6 6 3 5 11 26 29 48 100 81 10 10 10 7 1 7 8 3 1 7 8 3 1 5 6 2 1 5 6 2 1 5 5 2 2 5 5 2 2 5 5 1 2 5 4 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1; 1HNMR: 77 76 dd 1H J 17 70 | 76 75 m 2H | 75 74 m 2H | 74 74 td 1H J 15 72 | 74 73 td 1H J 16 78 | 52 52 s 2H | 43 42 s 2H | 24 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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CSc1ncc2c(C)cc(=O)n(C(C)C)c2n1
|
ir: 1 1 1 1 1 4 5 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 5 2 2 4 3 2 2 7 2 2 2 1 2 3 2 3 78 8 1 3 2 1 2 3 2 1 2 1 2 3 4 6 2 4 4 10 8 2 4 3 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 2 3 3 4 8 2 2 4 5 3 2 2 1 2 3 5 1 2 2 2 2 3 1 12 3 2 2 2 5 3 9 6 3 1 1 2 2 1 1 3 5 26 1 2 2 0 0 6 100 7 3 0 1 2 2 1 4 27 4 1 54 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 2 2 1 1 1 1 1 1 2 1 2 2 2 2 5 5 4 2 2 5 9 3 3 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 1; 1HNMR: 86 86 s 1H | 64 63 q 1H J 13 | 49 48 p 1H J 70 | 26 25 s 2H | 25 25 d 3H J 13 | 14 14 d 6H 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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