Output
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CCCCc1nc2ccsc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1
|
ir: 7 3 2 3 5 4 8 12 4 6 6 8 11 6 13 24 14 10 11 10 5 3 2 4 5 5 2 4 4 3 1 3 17 3 3 6 5 4 6 26 91 20 62 66 26 12 9 16 11 8 4 4 4 5 12 62 9 20 11 6 5 3 3 3 3 4 6 4 5 6 7 15 11 8 15 35 3 3 3 5 5 5 4 4 4 2 7 4 2 37 12 5 3 8 5 8 8 8 26 6 5 4 5 6 18 10 8 11 13 11 5 11 19 11 26 15 13 17 8 24 8 10 12 13 30 16 24 10 8 12 6 6 21 8 9 23 11 17 34 15 16 51 0 5 7 9 9 55 14 6 5 7 6 3 3 3 3 2 2 2 3 4 5 6 11 4 2 1 2 3 2 1 2 3 2 1 2 3 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 2 2 1 3 2 2 2 3 3 1 2 3 3 2 2 4 3 4 8 5 6 5 7 14 8 10 10 14 13 12 30 38 46 11 34 100 77 22 12 4 3 5 5 3 3 3 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 79 79 dd 1H J 16 78 | 76 76 ddd 1H J 15 73 88 | 76 75 dd 1H J 16 85 | 75 74 m 4H | 71 71 d 1H J 42 | 71 70 dq 2H J 9 73 | 54 54 t 2H J 8 | 39 39 s 2H | 27 26 t 2H J 70 | 17 16 p 2H J 67 | 15 14 m 2H | 10 9 t 3H J 72
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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(C(=O)NC(c2ccccc2)c2cc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1
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ir: 0 2 3 2 10 4 7 3 3 2 6 7 1 5 8 3 3 5 4 2 3 6 7 4 1 3 4 1 1 4 7 5 5 9 16 18 23 23 15 16 15 40 24 4 4 5 4 6 4 4 3 1 20 12 9 5 3 3 3 2 3 5 2 0 3 5 12 10 9 6 4 3 2 3 2 2 3 3 2 3 3 3 1 1 4 3 2 3 4 6 4 2 3 5 3 13 5 9 2 8 8 3 2 45 4 4 0 3 6 6 4 5 6 6 3 4 6 3 2 4 8 3 2 4 6 3 2 4 20 13 3 10 11 3 2 34 2 1 0 4 8 48 55 31 23 15 15 54 15 11 7 9 17 2 3 3 4 8 10 3 2 1 2 3 2 1 1 2 1 1 1 2 1 1 2 2 2 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 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 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 1 1 2 2 1 1 2 2 1 1 3 2 2 1 2 2 2 2 3 2 3 4 4 3 6 6 12 21 35 27 14 5 10 4 5 2 1 2 3 2 1 2 4 3 1 3 4 2 1 4 10 9 61 100 28 18 9 7 3 2 2 2 2 1 1 2 2 1 2 2 1 1 1 2 2 1 1 2 2 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 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: 95 95 s 1H | 80 80 dd 1H J 22 86 | 79 79 m 2H | 78 77 d 1H J 86 | 76 76 t 1H J 22 | 75 75 ddd 2H J 7 23 79 | 75 74 m 3H | 73 72 m 2H | 65 65 dd 1H J 7 22 | 64 64 dt 1H J 8 72 | 36 35 td 4H J 20 36 | 25 24 s 3H | 20 19 p 4H J 19
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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(CCc2ccccn2)cc[nH]1
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ir: 4 4 1 12 3 2 2 2 4 3 8 4 3 1 1 3 4 2 5 8 4 1 1 2 2 3 3 5 14 6 5 3 3 2 3 3 3 3 13 10 5 19 57 100 8 4 2 4 2 0 2 4 3 6 11 3 5 2 2 3 2 1 3 3 11 10 4 4 4 5 3 4 4 2 3 3 15 2 4 3 2 3 5 5 1 1 3 3 2 2 6 12 2 3 4 2 2 2 4 3 1 2 3 2 6 3 4 2 1 2 4 4 4 3 2 2 7 2 3 2 1 3 4 5 1 3 4 5 4 3 3 2 8 4 5 6 12 36 6 7 10 5 5 2 2 3 4 10 16 7 4 3 2 4 5 8 7 7 4 1 2 2 6 23 2 4 2 1 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 2 2 1 1 2 2 1 1 2 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 1 2 2 1 2 3 3 2 3 3 3 3 3 3 2 3 2 4 5 3 4 21 27 21 11 11 8 2 3 4 2 1 2 3 2 2 2 3 1 2 3 4 6 4 5 37 18 9 11 4 2 2 3 4 2 2 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 1 2 2 2 1; 1HNMR: 84 84 dd 1H J 17 42 | 78 77 t 1H J 68 | 77 76 td 1H J 17 74 | 72 71 ddd 1H J 15 42 75 | 71 70 dq 1H J 10 73 | 65 65 q 1H J 13 | 62 61 dq 1H J 10 69 | 30 29 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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N#Cc1ccc(-n2cnc(C(=O)O)n2)c(F)c1
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ir: 3 27 0 1 1 1 4 5 1 1 4 10 3 5 9 3 2 4 1 1 1 3 2 1 1 1 0 1 1 3 4 2 3 10 2 1 23 8 9 27 4 2 3 2 1 2 5 2 1 1 1 1 2 1 2 4 16 4 2 2 1 1 8 3 2 1 2 6 13 8 3 1 1 0 1 2 4 2 2 3 1 1 1 2 13 14 4 8 1 3 3 4 3 1 3 3 1 1 2 28 14 2 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 1 1 4 2 6 1 1 1 1 0 1 1 0 0 1 1 1 2 2 4 1 26 1 0 1 2 30 12 2 4 13 1 1 1 1 1 1 2 1 4 6 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 0 5 12 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 0 1 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 2 8 20 19 46 60 3 2 2 1 3 100 54 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 84 83 s 1H | 78 77 m 2H | 76 75 dd 1H J 20 121
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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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Cc1sc2nc(SCc3ccc(C(=O)c4ccc(Cl)cc4)cc3)n(C)c(=O)c2c1C
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ir: 2 1 2 1 1 3 5 16 8 12 2 3 9 3 2 4 9 2 2 2 2 6 12 5 4 4 4 18 14 19 3 3 1 1 2 4 4 55 16 1 3 4 3 0 1 4 3 2 4 59 9 11 4 3 26 37 21 10 14 6 2 1 2 2 2 2 3 4 5 15 7 1 2 2 1 1 1 3 2 2 3 2 5 11 4 2 4 7 3 2 2 2 6 11 7 2 1 3 5 3 1 1 1 1 2 1 1 1 1 2 5 10 0 2 3 3 10 15 2 5 10 9 5 6 5 16 19 2 3 3 4 10 5 2 2 7 6 13 22 26 19 3 3 3 4 4 5 15 32 21 27 9 4 2 2 1 2 2 36 5 2 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 1 3 5 3 25 17 24 50 100 23 8 4 5 4 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H | 77 77 m 2H | 76 76 m 2H | 75 74 dt 2H J 10 78 | 44 44 d 2H J 9 | 35 35 s 2H | 24 24 d 6H J 27
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
COC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccncc2)n1
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ir: 4 12 6 8 2 12 21 15 24 61 25 14 16 18 6 3 5 9 6 4 5 5 6 7 4 5 9 8 3 8 5 18 11 6 8 13 22 8 5 4 4 4 13 6 6 25 4 24 23 8 5 0 87 6 14 3 5 9 8 10 5 15 4 30 8 43 20 13 12 10 5 16 71 12 10 15 37 13 9 7 7 7 6 6 14 40 87 7 64 17 15 7 9 16 4 4 7 5 2 19 6 6 8 42 16 29 23 7 6 5 3 45 12 6 4 4 7 27 38 15 14 28 0 8 10 41 9 100 27 7 19 4 5 4 18 6 5 10 4 5 19 28 5 7 8 6 12 22 7 51 5 4 21 1 5 6 5 3 4 6 9 9 53 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 4 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 2 4 4 3 3 4 4 3 3 6 4 4 4 4 4 3 3 4 4 2 5 13 31 32 27 12 37 53 43 19 11 5 5 6 7 9 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 87 87 m 2H | 81 80 t 1H J 22 | 79 79 ddd 1H J 11 22 73 | 78 77 ddd 1H J 12 22 84 | 76 75 m 6H | 73 72 d 1H J 60 | 38 38 s 2H | 32 31 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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Cc1ccc(COc2ccc3c(CC(=O)O)csc3c2)c(C)n1
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ir: 0 1 2 1 1 2 2 2 1 2 7 6 10 5 3 4 4 7 8 13 29 40 17 22 9 4 2 1 1 1 1 2 4 3 3 2 1 2 1 0 1 3 5 3 4 2 2 1 2 6 8 0 8 14 30 7 1 1 5 1 2 1 1 1 1 2 7 2 9 11 3 2 2 3 2 2 4 11 14 37 6 5 5 6 4 5 1 3 3 4 1 2 2 1 1 2 1 2 2 4 1 1 2 9 5 7 0 1 2 1 0 0 1 1 1 1 3 3 1 5 3 2 2 2 1 1 3 2 1 1 2 2 2 2 2 3 2 8 18 4 6 5 16 24 11 8 11 10 4 3 7 25 10 3 2 2 1 3 8 1 1 2 3 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 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 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 3 7 6 5 19 32 13 12 7 2 4 3 2 5 43 100 18 4 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 80 | 76 75 q 1H J 8 | 75 74 dt 1H J 9 75 | 74 74 d 1H J 22 | 71 71 dq 1H J 9 77 | 69 68 dd 1H J 22 81 | 52 52 d 2H J 7 | 37 37 d 2H J 10 | 25 24 d 3H J 7 | 24 24 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)CO[C@H](c1ccccc1)[C@H](CN(C)C(=O)OC(C)(C)C)c1ccc2ccccc2c1
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ir: 17 6 10 17 21 13 5 7 10 9 23 54 15 6 6 14 4 2 30 6 3 4 2 2 3 2 4 9 38 6 6 57 36 7 4 2 4 4 6 18 100 35 96 12 9 3 2 6 2 3 2 2 5 6 12 3 4 2 2 1 18 9 7 12 5 9 8 3 16 35 10 7 7 19 32 15 10 7 7 6 7 2 4 5 4 2 3 4 3 6 11 8 10 7 34 5 7 28 6 7 2 8 13 31 20 4 12 5 1 3 3 3 3 5 7 9 5 19 9 18 20 40 31 12 28 7 18 19 19 23 21 29 4 9 15 44 16 4 6 3 1 10 22 32 89 17 7 10 8 18 32 36 25 14 4 2 8 24 7 2 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 0 2 2 1 1 2 1 0 1 2 2 3 5 9 2 0 3 6 5 5 4 6 7 7 9 32 40 32 45 67 95 34 33 5 3 10 5 2 3 5 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 1H | 78 77 m 1H | 77 76 m 2H | 75 74 ddd 1H J 14 69 84 | 74 73 m 6H | 73 73 m 2H | 50 50 m 1H | 43 43 d 1H J 150 | 42 42 m 3H | 39 39 dd 1H J 62 121 | 37 36 m 2H | 30 30 s 3H | 15 14 s 8H | 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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COc1cc2c(cc1C(C)=O)CCC(=O)C2(C)C
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ir: 6 4 4 4 3 11 29 9 11 5 3 4 0 6 10 12 5 5 17 7 8 8 5 16 57 5 4 3 3 5 4 2 9 11 7 17 8 10 12 1 8 2 2 2 2 2 1 4 9 4 1 2 3 2 2 2 1 2 2 10 18 10 6 4 9 41 20 22 46 52 29 2 15 5 2 3 4 3 9 1 6 15 6 2 2 3 6 10 3 2 1 6 12 5 1 1 2 8 0 2 3 3 14 33 10 6 6 17 5 4 1 2 6 14 8 4 6 5 6 16 7 11 17 21 41 29 30 19 10 15 20 13 68 18 9 14 15 7 7 5 5 4 40 29 5 30 29 6 3 7 18 88 8 2 8 28 20 7 4 1 1 1 1 6 16 3 2 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 3 4 6 5 3 3 3 5 11 8 4 3 6 5 8 38 100 46 18 25 25 9 5 0 1 3 1 0 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 77 77 d 1H J 9 | 70 70 s 1H | 39 39 s 3H | 31 30 m 2H | 29 28 m 2H | 26 26 s 3H | 15 15 s 5H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
Cc1nc(S(=O)(=O)N(C(=O)c2ccccc2)c2c(F)cccc2F)nn1-c1ncccn1
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ir: 4 3 0 5 13 17 13 18 14 21 31 57 11 8 8 6 8 19 23 35 7 1 2 3 8 14 6 5 6 3 2 6 11 8 9 2 6 5 5 4 4 14 12 7 2 3 21 10 10 1 16 8 5 4 6 11 37 36 16 4 4 4 2 14 16 19 28 26 15 42 38 36 14 3 7 8 15 7 9 9 6 9 24 39 26 10 48 31 100 10 5 2 10 7 10 3 4 5 1 2 1 2 1 3 2 1 1 3 1 1 1 1 2 2 2 3 1 2 2 2 2 2 3 2 2 3 2 4 6 16 15 8 13 10 9 34 13 6 14 23 7 10 8 10 9 16 2 3 4 2 1 1 1 1 1 1 4 5 2 2 4 1 1 0 1 2 1 0 1 2 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 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 0 0 1 1 0 0 1 1 1 2 3 3 1 1 3 3 1 2 2 2 0 2 2 3 3 6 9 5 3 18 40 40 42 26 7 3 2 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 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; 1HNMR: 88 88 d 2H J 33 | 78 77 m 2H | 76 75 m 4H | 73 72 m 1H | 72 71 m 2H | 26 26 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.
|
CC(C)P(Cc1cccc(CP(C(C)C)C(C)C)n1)C(C)C
|
ir: 2 6 11 2 6 8 10 3 2 1 1 2 3 1 1 1 1 1 1 7 3 1 1 1 2 2 2 1 2 1 5 5 3 8 29 8 3 1 4 2 2 2 12 58 5 3 4 12 15 4 18 32 11 2 2 3 2 0 1 2 1 34 4 1 14 8 3 2 1 0 1 1 2 5 22 45 10 11 13 16 8 12 7 1 2 2 1 1 1 1 7 2 2 1 1 1 2 2 3 4 2 2 1 3 8 10 1 10 4 2 1 1 2 6 4 2 3 5 13 19 19 14 10 5 3 5 1 9 12 11 14 7 5 3 4 4 6 75 48 100 16 14 2 3 37 17 3 2 1 1 1 3 4 5 3 65 10 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 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 2 5 9 5 5 2 5 8 6 4 6 5 10 5 15 35 49 13 14 75 44 2 4 7 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 m 1H | 70 70 m 2H | 29 29 d 4H J 136 | 18 16 hept 5H J 73 | 10 9 d 23H J 72
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
COC(=O)CCOCCOCC(=O)O
|
ir: 1 1 1 1 1 1 0 1 1 1 1 5 2 2 4 1 2 3 2 2 9 23 11 13 4 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 1 1 0 0 0 1 0 1 0 0 0 0 0 0 1 1 3 1 1 1 0 1 2 2 4 4 2 1 0 1 2 1 7 13 8 4 3 1 0 1 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 0 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 1 1 5 4 10 7 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 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 1 1 1 1 1 1 0 0 0 0 1 1 4 1 1 0 0 1 0 0 0 1 1 9 34 100 21 7 3 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; 1HNMR: 41 41 s 2H | 38 37 m 5H | 37 36 t 2H J 49 | 36 36 s 3H | 26 26 t 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.
|
CCCCC(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccn3)cc2)cc1)C(=O)O
|
ir: 1 1 1 2 4 2 1 2 3 2 3 3 1 6 3 3 3 4 7 15 17 51 28 6 2 3 3 5 2 6 9 4 5 5 4 3 3 3 46 23 4 4 4 2 2 2 2 3 2 2 2 2 2 13 10 5 7 14 1 2 1 2 1 2 2 1 6 2 2 7 1 2 5 2 4 3 6 20 34 15 3 3 3 3 3 1 5 4 2 1 1 1 1 2 2 2 2 4 5 4 1 2 1 1 1 1 2 2 6 2 1 2 8 4 3 3 2 5 4 2 4 4 4 4 4 3 4 3 1 1 2 2 3 2 4 10 2 1 1 2 2 4 15 100 18 16 14 8 32 8 8 2 4 2 6 2 2 6 7 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 1 1 1 1 1 1 2 2 2 1 1 1 2 3 4 7 1 12 67 20 7 4 1 1 2 1 0 2 4 2 2 3 1 1 0 1 2 2 3 2 2 7 8 18 9 4 2 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 m 1H | 80 80 m 2H | 79 79 m 2H | 77 76 m 2H | 76 75 t 1H J 51 | 72 72 ddd 1H J 22 40 65 | 71 71 dt 2H J 9 89 | 68 68 m 2H | 43 42 t 2H J 43 | 37 37 dt 2H J 43 52 | 30 29 ddt 1H J 9 80 136 | 28 27 ddt 1H J 9 80 137 | 27 26 m 1H | 18 17 dtd 1H J 75 89 134 | 16 12 m 5H | 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.
|
Cc1nnc2n1-c1ccc(Br)cc1N(c1ccc(S(C)(=O)=O)cc1)C[C@H]2C
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ir: 18 8 10 8 10 6 8 8 12 32 10 9 9 12 21 11 10 10 11 7 7 8 13 8 10 9 9 6 6 6 5 6 6 7 9 6 8 16 10 7 8 7 5 6 5 6 5 6 5 7 8 7 8 54 17 51 20 6 10 7 6 5 7 11 10 37 11 27 12 11 7 6 6 6 7 6 7 6 19 7 8 5 9 24 29 100 12 12 18 12 11 6 8 8 5 6 6 7 11 7 9 11 7 6 8 9 13 23 8 7 6 6 5 6 6 8 9 6 10 15 15 9 12 13 11 9 6 7 6 5 6 6 11 6 6 6 9 10 9 20 7 7 7 5 5 8 8 0 66 25 23 9 13 13 27 9 6 5 6 7 6 5 10 19 6 4 5 5 5 5 5 6 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 6 5 5 6 5 6 6 6 13 6 6 6 6 6 5 6 6 9 9 9 18 15 17 6 29 59 26 13 8 8 6 7 5 6 7 6 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 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 78 77 m 2H | 76 76 dd 1H J 22 82 | 74 74 d 1H J 82 | 73 72 d 1H J 21 | 72 72 m 2H | 46 45 dd 1H J 53 130 | 44 43 dd 1H J 59 129 | 39 38 m 1H | 33 32 s 3H | 25 24 s 3H | 16 15 d 3H J 78
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
|
Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
|
ir: 11 17 15 17 15 17 14 6 3 4 2 3 5 5 5 3 4 3 2 2 2 2 3 1 1 2 2 2 2 4 3 4 2 4 4 5 2 2 2 2 2 2 1 1 2 2 2 2 4 1 3 5 10 9 29 14 30 17 5 3 3 4 1 0 1 2 2 1 2 8 2 1 2 3 1 1 3 9 1 6 3 2 1 1 2 4 5 7 6 5 5 1 2 2 1 1 2 2 5 12 6 2 0 1 2 3 11 3 1 2 1 7 20 8 1 1 2 2 1 2 2 2 1 2 2 2 5 7 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 3 11 15 8 12 7 7 26 42 100 13 4 3 1 2 14 4 2 1 2 3 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 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 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 1 2 2 2 2 3 3 2 3 11 16 97 31 11 7 3 3 3 2 1 1 2 1 1 1 2 1 1 3 29 55 15 1 1 1 1 1 2 2 3 10 38 57 29 18 4 4 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 dp 2H J 15 73 | 71 71 m 2H | 69 68 m 2H | 68 67 m 2H | 42 42 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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Cc1cc(C(=O)C=C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1Br
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ir: 3 6 5 6 16 7 5 6 4 5 3 3 3 4 4 2 2 3 5 2 2 3 3 2 2 4 4 3 3 7 11 11 3 14 5 14 3 4 5 6 25 52 8 4 3 3 9 2 3 4 3 2 5 17 18 11 5 5 3 1 3 5 10 5 52 60 25 21 14 16 11 14 8 5 6 6 12 8 9 5 4 3 3 3 6 3 4 5 5 7 82 11 11 6 9 4 27 5 10 10 58 12 0 2 6 3 1 3 4 3 1 5 9 14 5 4 10 15 7 4 5 13 16 11 22 14 21 8 12 16 24 15 5 3 3 4 5 3 3 8 24 7 100 5 4 2 3 5 4 6 26 3 6 6 9 15 29 48 10 3 3 4 3 4 3 2 3 3 3 2 2 4 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 4 3 3 3 2 3 4 3 2 4 6 5 11 23 27 46 82 72 24 14 7 8 4 4 3 3 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 78 78 dd 1H J 22 82 | 78 78 d 1H J 20 | 77 76 d 1H J 83 | 76 76 d 2H J 22 | 74 74 t 1H J 21 | 72 72 q 1H J 20 | 24 24 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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OCc1ccc2ccc3ccc(CO)nc3c2n1
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ir: 2 3 6 8 4 3 1 2 14 5 2 3 1 2 1 1 1 4 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 7 13 17 1 1 2 2 1 3 2 1 0 1 2 1 0 1 2 25 12 2 1 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 5 7 4 14 11 14 8 8 4 3 2 1 2 1 0 0 1 1 1 2 6 2 1 1 2 1 0 0 1 0 0 0 1 0 0 2 2 0 0 1 1 1 3 2 1 0 0 1 1 0 4 4 2 1 1 2 6 5 2 8 1 0 0 1 1 1 2 1 1 2 1 3 15 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 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 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 14 9 0 2 2 0 5 100 66 7 4 2 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 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: 85 84 d 2H J 80 | 78 78 d 2H J 11 | 77 77 dt 2H J 8 80 | 49 49 dd 4H J 9 57 | 34 34 t 2H 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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Fc1ccc(COc2ccc(Cl)cc2CBr)c(F)c1
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ir: 1 1 1 2 3 4 2 0 1 1 1 3 3 3 4 5 3 4 1 1 1 0 0 0 0 0 1 1 4 1 2 1 2 1 1 0 1 3 4 3 1 1 1 1 1 1 3 2 2 4 9 67 34 12 23 20 3 7 4 1 1 1 1 2 4 2 13 27 34 12 2 2 2 1 6 2 1 1 0 1 1 6 8 4 1 2 6 9 5 3 1 2 4 1 2 15 8 5 3 3 7 5 2 3 0 5 4 2 1 1 1 1 0 3 3 4 2 1 2 1 2 2 2 2 4 3 3 2 1 1 1 0 0 1 1 0 0 1 1 0 1 5 38 7 2 1 1 3 13 36 8 7 9 12 2 1 2 2 1 0 4 4 1 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 4 3 1 1 1 1 3 6 7 11 13 30 100 46 41 12 5 2 3 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 72 72 dd 1H J 24 90 | 69 69 m 1H | 69 68 m 1H | 68 68 d 1H J 90 | 52 52 dd 2H J 7 35 | 45 45 d 2H J 7
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O
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ir: 1 2 4 3 10 7 5 4 1 8 15 6 11 17 31 47 32 16 12 27 42 100 90 26 8 3 3 5 4 2 1 3 5 3 2 3 4 2 1 5 4 1 1 3 2 1 1 2 2 1 1 2 3 5 23 18 4 1 3 3 3 4 5 4 3 2 6 17 6 4 5 9 8 7 9 6 4 18 81 61 8 5 3 10 5 5 9 6 6 2 9 15 7 4 6 3 3 3 6 5 3 2 8 3 1 2 2 2 1 4 7 6 6 7 7 8 4 9 14 15 17 20 7 22 23 14 9 11 8 11 14 11 10 7 3 8 7 8 5 4 2 3 6 64 28 2 3 4 18 1 9 43 10 6 2 0 1 2 1 0 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 4 3 2 3 5 4 2 2 7 5 7 7 19 30 10 5 24 11 4 3 2 3 1 1 2 9 16 7 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; 1HNMR: 73 73 d 1H J 79 | 72 72 dt 1H J 9 20 | 71 70 ddt 1H J 9 20 79 | 45 44 tq 1H J 16 84 | 33 32 ddt 1H J 9 86 128 | 31 30 ddt 1H J 8 84 127 | 30 29 d 3H J 14 | 15 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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C=CCN(Cc1ccccc1)c1c(C(=O)N(C)OC)cnn1Cc1ccc(OC)cc1
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ir: 7 11 14 14 6 13 12 2 7 6 18 9 9 7 18 4 3 6 3 6 7 7 8 6 10 8 9 11 6 4 12 17 19 8 8 2 5 12 7 18 19 32 17 7 53 84 18 26 7 8 9 24 5 7 13 26 26 10 9 14 14 3 11 26 11 5 13 17 13 20 10 60 24 17 10 9 9 5 10 6 5 13 17 11 17 22 18 21 7 30 6 13 8 11 14 13 14 14 39 16 5 6 7 6 10 21 8 4 6 2 4 2 1 3 3 6 14 6 5 10 4 14 2 18 4 15 13 9 5 7 8 7 7 4 5 22 6 10 12 18 15 18 6 21 8 7 19 23 72 22 5 7 17 10 10 41 10 13 27 55 16 0 5 3 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 3 8 4 7 7 5 16 9 8 18 26 22 61 100 49 23 7 13 7 7 4 7 4 2 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 s 1H | 73 72 m 8H | 69 69 m 2H | 59 58 ddt 1H J 48 114 170 | 53 52 m 3H | 51 50 ddt 1H J 13 23 167 | 46 45 d 2H J 7 | 40 39 dt 2H J 15 48 | 38 38 s 3H | 36 35 s 3H | 31 31 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC(C#N)(CC1CC1)NC(=O)OCc1ccccc1
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ir: 3 4 6 3 2 2 4 4 2 3 3 2 1 2 3 1 0 2 3 1 1 3 3 1 1 4 10 14 8 24 19 4 4 5 4 1 4 6 8 4 15 7 5 1 5 4 3 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 3 4 3 5 7 10 4 1 2 3 1 1 2 3 2 1 2 3 1 2 3 3 1 1 7 6 1 1 3 3 2 2 4 5 2 3 4 3 1 2 3 3 1 2 3 2 0 2 3 2 0 2 3 2 0 3 4 4 3 3 5 2 2 4 3 2 3 4 4 1 0 7 4 1 0 4 4 4 5 85 100 10 5 5 7 32 13 5 3 2 2 2 2 1 2 3 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 2 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 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 0 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 2 1 2 3 2 2 3 3 2 1 3 6 4 5 10 9 8 30 17 7 5 2 3 2 2 2 3 2 2 1 2 2 2 1 2 2 2 1 3 4 7 38 20 5 4 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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; 1HNMR: 74 73 d 4H J 41 | 73 73 m 1H | 63 62 s 1H | 50 50 s 2H | 21 20 dd 1H J 49 130 | 18 17 dd 1H J 49 130 | 17 17 s 2H | 14 13 p 1H J 46 | 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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Cc1nnc(CCO)nn1
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ir: 1 3 5 8 4 5 8 2 8 21 22 26 12 6 5 7 4 13 18 15 11 4 3 3 1 1 1 2 2 3 20 16 5 3 2 1 2 1 2 1 1 1 1 4 4 6 4 2 3 1 1 1 2 2 6 4 6 4 2 4 2 1 3 3 5 7 4 2 3 4 6 4 3 1 2 1 1 2 2 2 1 2 2 3 5 5 50 50 28 35 47 24 26 54 25 17 12 5 2 1 3 1 0 14 4 6 5 4 29 19 8 5 4 7 4 7 3 2 0 4 6 6 6 4 4 5 2 4 9 10 25 32 11 3 4 3 2 1 0 1 3 6 34 26 28 15 1 2 1 1 0 1 0 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 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 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 3 5 5 2 2 5 4 3 4 7 6 8 7 6 16 25 13 19 5 7 7 3 6 4 11 56 100 89 57 14 8 6 4 1 4 3 2 2 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 0 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; 1HNMR: 42 42 q 2H J 66 | 40 39 t 1H J 68 | 32 31 t 2H J 64 | 29 29 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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C1=CCCCCCCC=C1
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ir: 4 1 1 0 0 1 3 1 1 1 8 6 1 1 1 3 1 2 3 1 2 3 6 6 3 3 2 4 5 14 48 100 72 11 4 4 6 12 19 33 19 9 4 2 1 1 3 7 3 2 1 1 1 1 0 0 0 1 1 0 1 2 0 0 1 1 0 0 1 1 2 7 2 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 5 1 0 0 1 2 4 3 1 2 2 2 1 1 2 1 2 4 10 18 11 18 23 16 10 8 14 4 6 15 19 31 27 14 7 5 8 8 11 36 63 41 3 2 2 1 3 3 45 35 6 2 2 2 2 2 2 1 4 9 1 5 1 0 0 0 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 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 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 1 1 1 2 1 2 4 9 13 15 9 6 4 7 15 11 18 54 86 47 15 8 4 4 2 3 3 1 1 1 0 1 0 2 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; 1HNMR: 58 58 m 2H | 56 56 m 2H | 21 21 tdt 4H J 14 57 82 | 15 14 m 4H | 14 14 s 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(Nc1nc2ccccc2s1)c1ccc(N(Cc2ccc(F)cc2)C(=O)[C@H]2O[C@@H]2C(=O)O)cc1
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ir: 2 3 3 5 5 3 4 5 4 4 4 5 5 6 10 15 16 10 20 31 26 16 7 10 6 2 5 3 3 5 4 2 5 3 11 6 7 5 10 5 5 13 45 9 5 10 19 25 76 56 20 28 13 8 5 12 9 19 7 6 2 1 3 3 8 2 2 3 6 12 2 1 2 2 3 7 7 12 34 24 12 7 12 8 4 13 16 3 4 2 2 1 2 2 2 3 5 4 3 2 3 3 2 2 3 8 4 7 1 2 5 3 1 1 2 2 1 3 2 2 2 3 5 3 4 5 4 15 3 2 2 2 3 2 2 2 5 3 4 3 10 12 27 43 15 44 22 13 41 30 13 30 19 4 3 1 2 5 4 4 4 4 1 6 1 1 1 1 1 2 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 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 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 0 2 3 3 1 11 17 22 100 23 12 10 3 3 6 6 3 74 96 9 9 2 0 3 3 2 4 4 3 1 2 2 12 23 39 6 4 2 1 2 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 77 77 dd 1H J 14 69 | 77 76 dd 1H J 14 74 | 75 74 m 4H | 73 72 td 1H J 14 74 | 71 70 m 3H | 50 49 m 2H | 43 43 d 1H J 75 | 38 37 d 1H 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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C=C(C)C(=O)Oc1ccc(S(=O)(=O)NC)cc1
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ir: 4 5 4 3 1 4 2 3 2 4 6 6 20 32 6 5 11 100 12 3 1 4 6 1 1 4 3 1 0 2 8 2 2 4 3 1 2 5 7 7 3 7 5 2 3 11 12 3 13 12 67 12 40 32 8 51 15 6 6 4 4 5 13 27 10 3 10 7 6 6 2 1 4 6 8 12 13 5 9 5 2 4 26 12 35 36 10 4 9 9 10 10 90 8 3 3 8 6 8 6 7 4 8 13 18 51 91 51 12 16 20 5 4 5 2 3 4 6 5 8 6 3 5 6 4 16 2 4 7 8 4 2 2 2 2 2 2 2 1 1 1 2 2 7 6 23 22 32 12 27 3 4 17 1 2 3 3 1 2 3 2 14 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 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 2 1 1 2 1 1 2 3 3 1 3 3 3 4 6 4 20 28 8 6 10 18 5 3 3 3 4 3 1 2 3 4 5 2 5 18 13 17 69 50 16 12 22 7 5 4 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 m 2H | 73 72 m 2H | 63 62 dq 1H J 9 19 | 61 60 dq 1H J 15 29 | 54 54 q 1H J 68 | 27 27 d 3H J 66 | 20 20 dd 3H J 7 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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O=C(CCC1CCCC1)c1ccc(Cl)cc1
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ir: 1 2 3 2 2 3 6 5 4 12 10 7 14 3 3 2 4 2 3 5 6 9 26 4 4 3 2 2 2 3 3 2 1 4 9 8 29 40 14 4 7 4 9 14 7 7 3 2 4 10 19 10 18 10 15 39 34 11 3 4 4 4 2 2 3 4 2 2 3 10 4 2 3 3 2 1 2 2 1 1 1 2 1 1 2 2 4 2 4 3 2 2 7 3 2 2 6 7 5 2 2 3 2 2 5 9 11 19 16 10 10 12 6 6 3 9 6 6 17 9 19 6 4 16 10 21 6 19 18 10 6 3 7 4 4 7 8 7 5 11 44 86 17 9 5 4 12 8 6 44 24 5 4 1 1 4 2 1 1 2 2 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 2 1 3 4 6 5 6 7 7 3 6 10 7 0 57 18 90 100 33 13 5 8 10 3 4 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 75 74 m 2H | 30 29 t 2H J 85 | 17 14 m 9H | 13 12 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCCC1
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ir: 2 5 12 8 6 3 4 3 2 5 10 9 3 17 0 2 9 24 9 10 6 3 2 2 1 2 2 1 2 2 2 2 1 2 8 3 1 4 3 3 9 6 3 2 4 3 5 4 2 2 4 16 12 80 32 19 13 15 10 19 12 4 10 11 6 14 22 3 10 3 3 7 8 6 8 24 23 22 6 5 4 5 4 19 37 28 30 43 14 8 6 5 12 8 8 9 4 3 8 8 9 4 1 2 7 5 5 9 3 24 52 13 12 7 8 21 8 7 5 8 12 3 3 5 9 9 4 4 5 16 6 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 13 11 5 2 5 4 2 2 1 0 1 1 2 3 25 6 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 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 2 1 1 1 2 1 1 1 2 3 2 2 5 2 1 3 3 2 0 6 4 19 100 4 3 3 1 2 3 1 1 2 2 1 1 2 2 2 2 5 5 36 38 3 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H | 70 69 m 2H | 33 33 m 4H | 32 31 dq 4H J 27 48 | 30 29 m 4H | 20 19 p 1H J 33 | 18 16 tdd 4H J 24 45 83
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(OC(C)C)c2Cl)c(=O)[nH]1
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ir: 2 5 1 3 1 5 8 2 5 6 7 7 5 1 2 2 3 4 17 3 2 3 5 8 15 21 19 10 7 7 7 2 4 5 15 23 8 4 2 8 19 40 31 67 14 4 7 8 100 38 11 24 16 3 3 3 3 1 5 8 3 2 7 3 3 7 7 46 8 5 3 2 3 4 7 29 12 12 3 5 4 0 3 3 1 1 9 2 1 3 2 1 0 1 7 10 63 32 3 1 5 2 1 2 3 16 4 3 2 2 0 2 1 1 3 5 23 10 4 11 9 17 5 7 8 6 4 6 4 9 4 4 11 5 3 4 10 5 1 2 1 9 11 15 29 13 22 30 7 8 13 16 4 2 1 3 10 7 30 18 28 30 7 3 3 1 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 4 2 2 3 4 4 7 6 9 31 7 5 39 32 29 6 3 2 1 2 2 1 1 2 2 0 1 1 4 3 2 4 8 9 15 17 40 95 75 14 7 6 4 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; 1HNMR: 98 97 s 1H | 83 82 t 1H J 58 | 76 76 d 1H J 22 | 70 70 d 1H J 20 | 60 59 h 1H J 11 | 47 46 hept 1H J 57 | 43 42 d 2H J 59 | 24 23 dd 6H J 13 64 | 14 13 d 6H J 56
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Nc1c(O)ccc(C(=O)O)c1C(=O)O
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ir: 7 5 7 3 6 5 8 13 6 5 7 6 9 10 5 13 10 11 22 41 11 16 17 7 9 21 7 8 5 4 3 3 4 3 3 3 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 4 5 4 8 5 2 2 2 2 2 2 3 2 2 3 2 2 2 2 3 3 3 3 4 3 5 9 14 21 18 11 9 4 3 3 5 5 5 3 3 2 2 2 3 4 3 10 6 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 5 8 6 2 2 8 3 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 8 5 2 2 7 16 8 3 3 3 3 3 4 3 4 12 23 3 3 6 34 10 3 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 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 8 3 2 2 3 2 1 5 33 100 85 17 0 4 4 2 1 2 14 28 4 3 3 2 2 2 2 2 1 3 9 46 45 5 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 100 100 s 1H | 74 73 d 1H J 90 | 70 69 d 1H J 90 | 65 65 s 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1Cc2c(cc(Oc3ccc(S(C)(=O)=O)cc3)cc2C(=O)Nc2ccccn2)O1
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ir: 4 6 9 22 11 6 8 6 5 17 10 17 19 11 9 14 20 11 5 6 3 5 5 3 3 6 7 4 5 5 4 8 4 17 13 8 21 15 14 5 12 11 43 60 34 18 12 3 5 7 5 1 9 10 46 82 19 7 5 3 4 3 4 7 25 56 4 17 22 18 13 5 6 9 5 4 10 16 4 5 13 24 38 11 90 9 9 25 20 11 6 5 14 38 5 6 6 9 5 7 12 5 3 4 4 17 6 7 5 4 6 3 4 4 5 4 5 6 9 7 7 16 4 14 20 14 8 6 6 5 4 3 7 4 4 9 24 6 3 6 5 3 4 26 14 4 13 100 3 53 10 12 33 9 39 8 6 3 51 13 5 11 10 5 3 3 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3 4 3 4 4 3 2 5 5 4 8 7 81 12 0 46 86 89 33 10 2 6 7 4 2 4 5 4 2 3 4 3 2 4 4 4 3 4 4 9 8 11 29 15 4 5 4 3 3 4 3 2 2 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 96 96 s 1H | 86 86 dd 1H J 16 43 | 84 83 dd 1H J 14 77 | 79 79 m 1H | 78 78 m 2H | 72 72 ddd 1H J 15 44 71 | 72 71 m 2H | 70 70 d 1H J 16 | 66 65 d 1H J 16 | 49 48 h 1H J 50 | 35 34 dd 1H J 48 164 | 33 32 dd 1H J 49 164 | 32 32 s 2H | 16 16 d 3H J 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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BrCc1ccco1
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ir: 6 4 9 34 13 5 5 6 5 3 3 4 5 3 2 4 5 3 2 4 5 3 3 6 4 3 2 5 5 2 3 5 7 5 6 5 6 9 21 8 5 9 9 5 4 2 3 5 4 2 4 5 7 4 4 5 3 2 3 5 3 2 4 4 4 3 8 21 34 5 7 4 5 58 2 11 2 1 5 6 3 52 27 8 2 5 8 9 2 16 10 12 2 3 5 4 2 5 13 6 2 3 5 4 2 3 6 5 18 14 9 6 2 3 6 3 1 3 6 4 5 7 9 6 6 59 19 15 8 8 6 3 2 4 5 3 3 5 6 5 22 13 9 2 2 5 6 11 9 10 11 10 21 4 5 3 4 5 4 2 3 5 4 2 4 5 3 2 3 5 3 2 4 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 3 5 14 7 5 4 6 4 2 7 12 11 0 4 11 36 100 92 21 5 5 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 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 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 73 73 t 1H J 15 | 64 64 dd 1H J 16 47 | 64 63 ddt 1H J 9 18 48 | 44 44 d 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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NC(=O)C1(c2ccccc2CCc2nc(Nc3ccccc3)ncc2Cl)CC1
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ir: 13 14 14 14 15 15 17 15 16 19 14 14 17 18 30 17 17 19 18 17 16 18 21 21 24 22 26 27 17 18 22 20 25 29 33 27 19 22 26 45 26 34 34 30 17 25 19 14 14 16 14 14 15 14 14 14 14 14 14 13 14 14 14 13 15 14 18 18 15 21 16 15 14 15 16 15 15 13 15 17 14 14 14 15 14 14 14 15 17 15 16 17 16 16 22 15 15 18 23 20 15 14 18 19 23 19 14 14 14 14 14 15 16 15 14 14 13 14 14 14 14 14 14 14 14 16 17 16 17 15 14 14 15 15 38 47 12 22 16 14 15 18 19 14 21 25 28 66 100 26 31 17 23 34 22 0 79 18 31 18 16 15 47 17 16 14 14 15 14 13 14 14 13 13 14 14 13 13 14 14 13 13 13 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 14 13 14 14 13 13 13 13 13 14 14 13 13 14 13 13 13 13 13 13 13 13 14 13 13 14 14 14 13 14 14 14 14 15 14 14 14 16 15 16 18 17 25 43 24 18 16 14 16 14 14 14 14 14 14 14 14 14 14 15 16 17 15 15 15 15 21 22 57 49 21 18 15 16 32 18 15 14 14 13 14 14 13 14 14 14 13 13 14 14 13 13 13 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13; 1HNMR: 86 85 s 1H | 80 79 s 1H | 78 77 m 2H | 73 72 m 5H | 71 71 m 1H | 69 68 tt 1H J 11 68 | 68 67 s 2H | 33 32 t 2H J 72 | 30 29 td 2H J 8 72 | 16 15 m 2H | 14 13 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1ccc(Cn2c(=O)n(CCN(C)C)c3cc(C(=O)c4ccccc4)ccc32)cc1
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ir: 2 3 4 6 2 3 4 2 3 2 2 3 4 1 2 2 2 1 2 2 2 3 3 1 1 2 2 1 1 2 1 2 3 6 35 7 10 22 9 5 4 4 12 6 11 3 12 4 6 2 2 2 4 4 7 47 9 4 3 3 2 3 2 6 9 4 4 6 10 11 5 2 2 5 1 2 2 5 2 1 1 1 2 2 2 21 4 2 2 6 2 2 2 9 3 3 3 4 9 4 7 3 1 1 2 1 1 1 2 1 1 5 5 2 2 3 5 7 3 8 10 10 8 6 3 6 4 5 3 6 3 2 5 4 14 3 4 2 19 10 82 5 7 6 4 7 5 3 29 4 3 3 8 4 10 6 100 4 3 0 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 1 1 1 1 1 1 1 1 3 4 2 1 1 1 2 3 3 7 11 14 26 75 17 10 7 5 3 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 21 | 78 78 m 2H | 77 77 dd 1H J 21 83 | 76 75 m 2H | 75 75 ddt 2H J 14 64 82 | 72 71 dp 2H J 10 82 | 69 68 m 2H | 53 52 t 2H J 9 | 40 39 t 2H J 64 | 38 38 s 2H | 30 29 t 2H J 64 | 25 24 s 5H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Nc1cc(Br)ccc1OC(CCC(F)(F)F)c1ccccc1Cl
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ir: 1 2 2 5 7 4 1 4 3 2 2 2 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 9 2 1 1 1 1 1 1 1 1 3 4 3 2 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 2 1 1 3 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 3 3 6 1 1 1 1 1 1 1 2 3 2 1 2 3 4 2 1 1 1 1 1 1 1 1 2 3 2 2 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 1 6 8 1 1 1 1 1 3 11 7 2 1 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 2 1 1 1 2 1 1 1 3 2 1 4 21 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 23 2 1 0 1 1 0 0 2 2 2 1 100 1 4 2 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 1H | 74 73 m 1H | 73 72 m 2H | 72 71 dd 1H J 22 90 | 69 69 d 1H J 21 | 69 68 d 1H J 90 | 55 54 m 1H | 46 45 s 2H | 27 23 m 3H | 22 21 m 1H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC1c2nc(-c3cccnc3F)cn2CCN1C(=O)c1cc2ncc(Br)cn2n1
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ir: 4 5 7 6 16 46 15 8 4 6 7 9 8 6 9 5 10 18 11 22 16 15 9 8 4 8 6 6 15 8 14 5 6 6 7 14 62 89 23 6 5 6 6 7 6 10 7 16 11 24 14 10 7 7 4 3 5 6 5 6 8 6 27 9 25 19 13 10 14 8 5 5 10 8 28 18 7 7 8 57 10 9 15 6 7 7 7 9 6 6 5 6 5 7 22 8 7 6 8 26 22 44 11 6 6 5 9 5 5 5 4 4 5 5 5 12 11 9 14 14 22 37 23 26 13 19 25 8 24 100 1 9 8 20 45 8 10 27 31 22 8 7 6 9 9 13 6 5 8 12 6 17 68 30 14 41 10 0 5 13 10 17 7 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 4 3 5 5 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 4 3 5 5 4 4 5 4 4 4 5 5 4 4 5 6 4 5 5 6 5 5 7 6 7 10 10 7 11 27 10 8 16 19 70 39 13 9 7 11 7 5 6 4 3 4 5 4 3 4 5 4 4 4 5 4 3 4 5 4 4 5 5 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 99 98 d 1H J 13 | 88 88 d 1H J 13 | 84 84 ddd 1H J 22 38 56 | 82 82 ddd 1H J 21 38 95 | 75 75 dt 1H J 9 20 | 75 74 dd 1H J 53 96 | 70 69 s 1H | 51 50 q 1H J 62 | 43 42 m 2H | 41 40 ddd 1H J 22 43 115 | 40 39 ddd 1H J 22 41 115 | 16 15 d 3H 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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C#CCOC/C(C)=C/Cc1cc(Br)ccc1O
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ir: 3 4 9 10 11 5 5 4 5 5 1 1 3 1 3 1 2 3 1 2 1 1 1 2 2 2 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 2 5 10 3 3 3 4 0 2 2 2 0 12 37 17 11 6 9 4 10 3 4 3 2 5 5 21 22 2 2 11 23 2 1 2 1 5 27 19 6 1 3 3 3 5 2 2 1 1 1 4 5 1 1 1 1 1 1 1 1 2 1 1 2 4 6 2 5 2 2 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 22 4 1 1 1 1 2 4 2 2 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 2 2 1 5 5 18 17 16 37 9 2 0 4 21 100 58 7 2 1 2 2 1 4 13 22 3 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 s 1H | 74 74 dt 1H J 9 20 | 73 72 dd 1H J 24 81 | 68 68 d 1H J 81 | 54 54 tq 1H J 13 68 | 42 41 d 2H J 26 | 39 39 q 2H J 10 | 34 33 ddt 2H J 10 20 68 | 25 24 t 1H J 25 | 18 17 q 3H J 11
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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)CCCN(c1ccc(F)c(Cl)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
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ir: 4 5 4 4 9 11 9 11 17 11 100 5 4 5 2 7 4 3 2 2 5 9 4 2 1 0 1 1 1 0 0 1 3 3 4 5 1 1 12 4 1 2 1 5 2 1 1 2 2 2 8 8 5 4 45 15 11 3 1 2 2 15 4 3 6 1 3 7 10 10 11 5 9 1 8 7 5 9 8 4 2 0 2 3 2 2 11 17 6 7 18 38 9 6 2 11 4 13 13 9 4 3 2 2 2 3 1 4 3 11 6 10 5 9 6 14 6 6 15 3 5 9 4 6 8 5 6 9 4 7 16 17 16 14 5 4 3 1 2 12 5 1 1 1 0 0 1 1 5 10 7 94 6 7 2 1 1 1 0 0 0 2 22 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 2 1 1 2 2 3 2 3 2 5 3 6 10 27 16 12 58 16 6 3 2 1 0 1 1 0 0 1 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 0 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: 71 70 dd 1H J 83 102 | 70 70 dd 1H J 22 33 | 68 68 ddd 1H J 22 37 84 | 39 38 dd 1H J 29 104 | 37 35 m 3H | 35 34 dddd 1H J 17 48 66 120 | 34 33 dt 1H J 60 121 | 33 32 m 1H | 28 27 t 2H J 61 | 23 23 s 5H | 23 22 m 1H | 21 20 ddt 1H J 49 66 125 | 18 17 ddt 2H J 59 119 131 | 15 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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CC(CN1CCCc2cc(NC(=N)c3cccs3)ccc21)N1CCCC1
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ir: 5 6 5 5 5 5 3 7 7 6 5 5 4 6 4 6 11 30 5 4 7 7 17 22 10 11 9 10 4 3 3 2 2 3 3 5 4 4 20 18 10 7 6 2 4 3 2 1 1 1 2 2 2 2 3 9 18 3 14 4 2 2 2 2 2 3 10 5 3 3 8 3 2 6 2 3 3 4 11 28 11 12 6 7 7 5 2 2 4 8 2 9 4 11 3 4 4 2 2 5 4 2 2 3 16 3 6 6 18 2 2 6 3 2 2 2 2 5 8 3 3 2 2 3 3 4 3 2 2 3 6 9 10 2 2 2 2 2 2 2 2 2 2 17 8 8 40 33 17 6 7 2 4 10 13 14 38 3 2 2 2 1 2 2 5 3 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 1 1 2 2 2 2 2 2 1 2 3 2 2 3 2 3 2 2 7 9 4 11 13 9 14 15 16 6 2 3 3 1 1 2 3 2 1 5 100 49 8 3 0 5 5 5 2 91 21 4 2 2 3 2 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 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; 1HNMR: 81 80 dd 1H J 16 53 | 80 80 dd 1H J 17 61 | 76 76 s 1H | 74 73 dd 1H J 53 60 | 73 73 s 1H | 71 70 dd 1H J 22 90 | 69 68 dt 1H J 9 20 | 66 65 d 1H J 90 | 36 35 dd 1H J 53 108 | 34 33 m 2H | 33 32 dd 1H J 53 108 | 30 29 qt 1H J 53 74 | 29 27 m 4H | 26 26 m 2H | 20 19 tt 2H J 54 72 | 18 17 m 4H | 12 11 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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C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ncc(Cl)cc1Cl
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ir: 7 8 7 7 3 3 7 6 6 5 8 4 2 1 2 1 1 6 1 1 1 1 1 1 1 1 3 3 35 13 15 15 82 10 11 3 7 14 3 4 3 24 2 3 1 1 0 0 0 1 1 0 1 1 1 0 2 8 1 1 1 5 2 0 2 10 14 2 3 0 1 1 1 7 1 1 0 0 1 1 0 0 2 3 2 16 1 0 0 1 1 0 0 1 1 1 2 2 7 3 6 2 1 1 0 1 2 2 19 6 4 2 0 2 3 1 3 5 6 22 13 11 16 4 6 11 12 5 3 30 10 9 3 4 2 2 1 1 1 2 2 1 24 4 4 100 5 4 8 31 12 0 15 2 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 0 0 0 0 0 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 4 3 2 1 1 0 1 0 2 4 5 5 3 16 38 5 4 6 13 4 1 1 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 1 1 3 8 15 14 7 3 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; 1HNMR: 86 86 d 1H J 16 | 78 78 d 1H J 18 | 61 61 d 1H J 82 | 50 49 dq 1H J 66 81 | 15 14 d 3H J 66 | 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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COC(=O)c1ccc(C=CCCc2ccccc2)cc1
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ir: 3 4 6 6 3 2 2 3 3 1 3 6 10 14 5 13 10 2 1 1 2 2 1 1 1 1 1 1 5 7 7 4 3 8 7 11 7 1 3 3 15 4 8 3 2 2 2 1 1 1 1 1 1 1 3 1 6 4 14 6 1 0 1 1 1 1 1 2 8 7 4 2 1 1 1 4 1 3 6 2 1 1 1 1 1 1 2 3 6 4 5 3 2 1 1 1 1 2 1 1 2 2 8 6 1 1 2 1 0 1 1 2 3 5 7 14 11 4 5 10 5 3 2 6 7 17 2 2 2 1 1 1 1 1 3 11 4 3 1 1 3 5 14 40 19 3 3 2 8 10 15 12 2 2 1 2 4 2 5 5 1 1 1 1 2 1 1 1 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 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 0 1 1 1 1 1 2 3 2 3 3 3 3 4 10 11 21 100 23 32 7 2 2 3 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 75 74 m 2H | 73 72 m 3H | 71 71 m 2H | 66 65 dq 1H J 9 144 | 60 59 dtt 1H J 9 55 149 | 39 39 s 2H | 27 27 ddp 2H J 9 75 84 | 26 25 tdt 2H J 12 55 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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COc1cc2c(c(Cl)c1Cl)CCC2
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ir: 0 6 12 6 4 11 13 19 8 8 12 6 2 8 10 4 2 8 10 4 2 9 10 4 3 14 14 5 3 11 10 3 3 10 8 4 6 12 10 4 6 14 10 5 7 11 8 1 5 12 7 1 6 12 6 7 10 27 7 2 8 11 8 5 33 35 10 13 20 22 7 5 13 21 10 6 10 12 4 3 8 9 4 4 9 8 4 4 9 9 4 8 23 11 5 8 6 35 19 4 12 8 0 6 12 11 17 10 12 8 6 9 31 47 8 9 11 9 4 8 16 6 2 9 13 8 11 13 12 5 2 8 10 7 6 12 11 4 3 8 9 3 3 9 9 5 4 9 12 5 4 10 8 2 4 10 8 3 21 61 56 7 6 9 7 2 6 10 6 2 6 10 6 1 6 10 6 2 7 10 5 2 7 10 5 2 7 9 4 3 7 9 4 3 8 9 4 3 8 8 3 4 8 8 3 4 9 8 3 4 9 7 3 5 9 7 2 5 10 7 2 5 10 6 2 5 10 6 1 6 10 6 2 6 10 5 2 6 10 5 2 7 9 5 3 7 9 4 3 7 8 4 4 8 8 4 4 8 8 4 4 8 8 3 5 9 7 4 5 10 8 5 7 9 8 11 17 15 9 7 8 11 20 7 100 13 47 21 15 17 8 4 8 10 6 2 7 10 5 3 8 9 5 3 7 9 4 3 7 8 4 4 8 8 4 4 8 8 4 4 8 7 3 4 9 7 3 5 9 7 3 5 9 7 3 5 9 6 2 6 10 6 2 6 9 6 2 6 9 5 3 6 9 5 3 7 9 5 3 7 8 5 4 7 8 4 4 7 8 4 4 8 8 4 4 8 7 4 5 8 7 4 5 8 7 3 5 9 7 3 5 9 6 3 6 9 6 3 6 9; 1HNMR: 67 67 d 1H J 9 | 39 39 s 2H | 30 28 m 5H | 23 21 pd 2H J 11 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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O=CCCF
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ir: 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 6 4 5 9 7 3 1 4 4 2 1 3 3 1 1 4 3 1 1 3 3 1 2 15 4 14 2 5 3 0 2 4 2 0 2 4 2 0 2 4 2 3 5 6 4 2 15 10 8 2 5 5 3 1 4 4 2 1 3 4 1 1 3 3 1 1 3 4 1 2 4 3 1 1 4 4 1 2 7 5 4 3 6 19 10 13 28 9 1 4 10 22 40 20 6 4 2 4 7 8 5 6 6 5 2 4 5 2 0 3 16 16 23 16 7 2 1 3 4 2 1 4 4 2 1 4 4 6 26 100 41 43 3 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 3 3 2 4 5 5 5 8 8 7 7 4 7 5 3 5 11 13 18 14 25 5 2 3 4 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 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 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 97 96 tdt 1H J 9 36 55 | 48 48 td 1H J 9 46 | 47 47 td 1H J 9 46 | 26 25 ddt 2H J 46 57 245
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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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CSSC(CN=[N+]=[N-])C[C@H](NC(=O)OC(C)(C)C)C(=O)O
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ir: 5 12 6 5 2 4 4 6 5 9 6 5 8 13 11 6 2 9 13 6 11 100 32 15 19 13 30 17 12 26 20 25 15 18 7 7 4 9 2 3 3 2 2 3 5 3 2 2 2 3 3 5 2 3 3 3 3 3 6 4 4 9 5 4 3 2 2 3 2 3 4 6 7 2 4 7 4 14 36 57 8 3 4 5 4 3 5 6 3 3 3 4 3 2 12 4 4 4 4 6 3 3 3 5 6 8 25 11 9 21 6 5 7 4 6 5 5 15 5 5 8 14 9 18 5 4 3 3 4 4 8 6 3 4 3 4 2 4 4 4 4 11 69 31 7 14 7 9 10 90 18 5 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 1 1 1 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 2 1 2 2 2 2 1 2 2 1 2 2 1 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 1 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 4 6 3 3 3 4 10 4 5 9 16 8 4 2 2 3 2 1 2 3 2 0 30 25 5 4 2 1 2 3 1 1 2 3 2 3 12 26 30 7 4 2 2 1 2 2 2 2 1 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 75 s 1H | 68 68 d 1H J 82 | 44 43 dt 1H J 55 81 | 37 37 dd 1H J 37 97 | 37 36 tt 1H J 38 64 | 35 34 dd 1H J 38 97 | 24 23 ddd 1H J 53 62 132 | 23 23 s 3H | 22 21 ddd 1H J 55 63 132 | 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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COc1cc(C#N)c(N)cc1OCCCCl
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ir: 9 15 28 25 19 23 5 14 5 6 8 3 4 3 3 3 3 4 4 5 4 3 1 4 2 2 1 2 1 1 1 2 2 3 4 12 4 4 2 7 10 21 13 4 2 2 2 3 2 2 4 5 2 1 1 2 1 1 1 1 2 2 6 2 3 5 10 13 12 18 14 6 2 2 2 2 1 1 10 4 1 0 1 2 2 3 8 3 1 1 2 1 1 0 2 1 1 1 6 4 1 2 3 3 2 2 3 2 1 2 4 1 2 4 3 3 2 4 3 2 0 1 2 2 2 2 3 2 0 1 2 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 4 2 1 2 7 9 4 15 77 20 14 2 1 5 34 12 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 6 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 1 1 1 1 1 2 1 1 0 1 1 0 1 1 1 1 1 3 2 5 3 3 2 2 2 2 2 2 1 5 7 4 2 17 6 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 38 100 5 2 1 1 1 1 1 1 3 8 46 26 4 1 2 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 3 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 71 71 s 1H | 63 63 s 1H | 47 47 s 2H | 42 41 t 2H J 50 | 39 38 s 3H | 38 37 t 2H J 38 | 22 21 tt 2H J 37 50
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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(Cl)nc(NCc2ccccc2)c1
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ir: 46 23 21 10 11 7 4 3 9 5 5 4 5 14 36 17 7 6 6 3 3 4 5 2 2 4 6 4 7 10 8 20 22 19 11 4 4 5 4 6 8 6 3 4 3 3 3 3 2 2 2 2 2 2 3 3 2 3 3 4 5 7 6 6 7 14 21 23 7 3 2 12 12 6 3 3 3 3 4 2 2 2 2 2 2 2 2 2 3 4 3 2 3 7 16 6 5 7 4 4 8 7 3 2 2 2 3 8 4 2 2 2 3 2 2 2 3 4 5 4 7 6 2 4 3 6 8 15 4 5 3 4 4 5 5 5 7 4 4 51 39 12 15 33 13 15 11 6 6 4 3 7 6 43 27 5 3 0 6 15 65 41 4 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 2 2 3 2 3 3 3 3 3 5 7 7 36 39 33 10 10 2 7 5 3 3 3 2 2 2 2 2 2 3 3 4 4 5 7 9 27 16 44 100 20 15 6 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; 1HNMR: 74 73 dq 2H J 8 72 | 73 72 m 3H | 71 70 d 1H J 20 | 66 66 m 2H | 46 46 dt 2H J 10 54 | 24 24 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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C#C[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
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ir: 3 2 4 2 2 3 3 4 1 4 7 2 1 1 3 2 1 4 3 2 1 2 3 1 4 6 6 11 7 5 6 6 6 5 3 3 6 10 15 13 7 4 1 2 1 2 3 0 1 2 1 0 1 1 1 0 1 2 2 0 3 3 2 2 2 1 2 0 4 3 5 3 3 3 3 2 3 4 3 4 4 3 2 1 1 1 1 1 2 2 1 2 2 6 2 2 2 3 3 5 14 5 3 1 5 6 1 1 3 2 1 3 2 1 1 2 3 3 2 13 8 5 7 10 7 4 2 4 2 2 3 3 3 2 1 1 2 1 1 4 3 1 1 7 6 3 5 8 24 30 5 2 4 2 2 5 8 100 10 1 1 1 1 0 1 0 1 1 1 0 0 1 1 0 0 1 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 4 2 3 2 3 4 4 8 5 3 2 1 1 1 1 0 1 1 1 0 1 1 1 6 6 1 3 2 4 4 16 18 21 14 8 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 0 0 0 1; 1HNMR: 84 83 s 1H | 83 82 d 1H J 7 | 80 79 t 1H J 51 | 73 72 m 3H | 73 73 s 2H | 65 65 ddt 1H J 8 16 53 | 60 60 ddd 1H J 7 38 50 | 56 56 ddd 1H J 8 33 39 | 51 50 tt 1H J 10 32 | 37 37 td 2H J 51 77 | 29 29 m 2H | 24 24 d 1H J 29 | 21 20 d 6H J 38
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](C(=O)NN)CC2)CC1
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ir: 2 1 1 0 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 3 5 5 5 9 12 18 7 10 14 19 44 35 32 18 6 8 9 4 2 2 1 3 4 1 3 2 3 3 4 3 2 2 1 2 5 8 9 52 45 67 24 19 15 29 8 1 1 2 2 3 1 3 3 1 2 3 5 7 26 10 8 5 3 2 2 3 1 3 3 4 2 2 2 2 1 3 10 5 5 4 2 6 11 12 14 8 5 19 6 9 1 5 3 3 5 2 4 7 5 3 2 5 4 8 7 15 46 100 71 16 10 2 0 1 2 0 1 0 3 25 8 5 4 15 29 9 6 7 2 1 1 1 1 0 0 1 0 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 0 0 0 0 1 1 1 1 1 1 0 1 0 2 0 2 2 6 4 3 3 3 6 6 6 3 9 11 6 2 0 3 1 1 1 1 1 1 0 1 1 1 1 7 21 46 41 5 3 8 8 16 45 47 30 32 15 2 3 1 1 1 1 0 0 1 1 1 2 0 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; 1HNMR: 71 70 t 1H J 43 | 40 40 d 2H J 42 | 24 23 tt 1H J 48 75 | 19 18 dddd 2H J 48 60 87 137 | 16 11 m 21H | 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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O=C(CCc1ccccc1)Nc1ccc(C(=O)O)c(O)c1
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ir: 3 1 2 1 1 1 2 2 4 2 2 3 2 7 2 3 2 2 5 3 4 3 2 9 24 75 16 17 9 4 5 4 4 5 3 4 5 6 4 2 6 7 5 1 2 2 1 1 2 4 1 2 1 5 7 7 7 2 1 1 1 1 1 2 2 3 8 13 7 3 1 1 1 3 2 2 2 4 13 9 8 7 8 12 4 2 2 2 3 2 1 2 3 3 5 4 3 5 7 2 4 2 1 1 1 1 4 4 1 1 1 1 1 1 2 1 1 1 2 1 2 6 5 4 2 2 4 4 1 1 1 1 1 1 2 7 1 2 1 1 1 2 7 7 6 6 10 4 2 3 12 6 19 24 8 11 4 1 1 2 1 0 1 13 1 2 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 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 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 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 9 17 12 13 3 15 80 100 2 0 2 13 23 2 1 2 1 0 1 2 1 1 4 2 27 13 5 3 2 2 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 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: 94 93 s 1H | 78 77 d 1H J 83 | 75 75 d 1H J 22 | 73 72 m 3H | 72 71 ddt 2H J 8 14 75 | 71 71 dd 1H J 22 82 | 29 28 tq 2H J 9 82 | 27 26 td 2H J 7 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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Cc1cc(C)c(CNc2nc(F)nc3c2ncn3C(C)C)cn1
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ir: 1 1 1 2 2 3 4 4 2 2 1 2 4 4 4 5 3 2 1 2 4 8 11 2 2 1 1 1 2 1 1 1 4 1 3 2 4 1 1 1 4 6 10 6 2 1 5 4 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 6 2 1 1 1 2 3 2 1 1 3 2 1 1 2 1 2 2 3 2 4 2 2 5 3 6 3 5 21 13 2 1 2 2 2 1 1 2 3 2 11 4 2 7 4 2 1 2 11 1 3 0 0 1 1 0 0 6 100 6 5 60 4 2 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 3 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 2 1 3 5 19 33 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 t 1H J 69 | 82 81 d 1H J 9 | 79 78 s 1H | 68 68 s 1H | 50 49 dd 2H J 9 68 | 49 48 pd 1H J 7 53 | 24 24 s 3H | 23 23 s 3H | 16 16 d 6H J 54
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(NCC(c1ccncc1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl
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ir: 0 3 4 5 5 9 5 4 1 9 6 2 4 16 6 3 2 6 6 5 4 3 4 5 6 5 3 2 3 10 10 10 6 5 6 4 5 11 18 10 51 37 19 11 8 9 3 1 2 4 3 0 6 10 22 7 4 4 3 0 3 4 2 6 3 4 6 26 7 7 7 18 26 13 7 2 4 4 3 2 4 4 2 2 3 4 1 6 10 15 7 4 7 5 2 2 5 9 9 10 11 9 41 15 7 3 2 2 3 5 2 11 3 2 1 2 10 3 2 4 6 5 5 9 10 8 4 12 11 12 5 5 4 2 8 5 8 34 3 3 4 4 8 6 8 49 57 36 30 8 10 22 5 2 3 9 3 2 2 15 30 4 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 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 2 2 1 1 3 2 1 1 2 2 1 1 4 4 1 2 3 3 1 3 4 3 1 5 13 21 100 21 20 7 4 5 4 3 1 3 3 1 2 2 2 2 1 3 3 4 6 11 5 10 22 20 25 13 9 4 3 3 3 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 86 85 m 2H | 84 84 q 1H J 10 | 77 77 m 1H | 76 75 t 2H J 12 | 75 74 m 3H | 73 73 t 1H J 59 | 72 72 dt 2H J 8 38 | 44 44 ddd 1H J 10 47 55 | 40 40 m 1H | 38 37 m 1H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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N#CCN1c2ccccc2C=Cc2ccccc21
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ir: 1 11 1 1 2 4 15 12 2 1 3 1 1 2 3 3 3 4 0 1 1 1 1 2 2 1 1 2 8 5 1 7 6 1 1 1 3 3 2 3 10 48 9 94 68 3 3 4 1 1 1 1 1 1 2 3 5 20 2 5 1 1 2 2 1 0 1 2 3 5 4 4 2 3 3 18 9 1 1 2 0 0 2 3 9 2 1 1 1 0 1 1 1 2 10 6 3 2 3 10 4 3 4 1 2 5 4 1 0 1 1 1 1 1 3 1 1 1 2 1 1 2 2 1 1 1 1 3 2 1 1 3 3 4 4 38 13 4 2 1 1 1 2 10 10 9 28 3 10 11 2 11 15 2 2 2 5 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 4 2 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 1 2 1 2 4 4 8 7 61 63 100 41 24 3 2 1 1 2 2 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 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 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 4H | 73 73 td 2H J 17 73 | 72 71 m 4H | 45 45 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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CN(c1ccc([C@H]2CNCCO2)cc1)c1ccccn1
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ir: 1 1 4 4 11 2 1 2 2 2 4 2 1 1 1 1 2 0 1 4 6 1 1 1 1 1 3 2 4 1 2 2 5 6 2 5 3 2 13 49 7 4 3 1 1 1 2 1 4 3 9 6 5 19 36 55 59 43 16 13 21 14 5 5 5 4 2 3 1 7 9 11 3 4 4 5 3 1 3 7 3 7 10 2 1 0 1 3 5 4 5 3 2 2 1 1 1 5 2 1 1 0 0 1 1 1 1 2 2 2 17 41 10 13 18 4 7 3 5 1 6 3 3 4 3 2 2 5 14 3 1 2 1 2 3 3 9 12 3 39 3 1 1 1 2 1 2 2 4 9 33 3 3 10 5 2 1 0 56 5 1 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 2 2 2 3 3 4 5 16 45 21 7 2 0 2 2 1 2 0 1 1 2 1 2 3 3 6 5 13 100 10 7 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; 1HNMR: 84 83 dd 1H J 17 44 | 76 75 td 1H J 16 71 | 72 72 m 2H | 71 71 ddd 1H J 14 45 73 | 71 70 m 3H | 47 46 m 1H | 39 38 ddd 1H J 19 39 114 | 38 37 ddd 1H J 19 39 114 | 35 34 s 2H | 33 33 ddd 1H J 11 50 132 | 32 31 tt 1H J 39 49 | 31 30 ddd 1H J 38 49 132 | 31 29 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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CC1CC(C)(C)CC(N)(OO)C1
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ir: 1 1 1 1 1 1 1 1 1 2 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 2 2 13 0 3 5 9 16 3 2 2 1 1 1 1 1 1 1 1 1 1 2 3 11 5 1 3 7 8 31 4 5 2 2 1 1 2 1 2 2 2 2 1 2 3 2 3 1 1 1 1 1 1 1 2 2 1 2 2 2 2 4 6 16 17 5 3 3 2 2 4 2 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 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 2 3 5 1 1 1 1 1 1 1 1 0 6 100 13 3 2 2 2 2 2 1 2 20 8 3 1 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H | 30 30 s 2H | 19 18 m 4H | 17 16 m 2H | 14 13 dd 1H J 61 127 | 12 12 dd 1H J 60 128 | 11 10 s 3H | 10 9 s 3H | 9 9 d 3H 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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COc1cc(OC)nc(N)n1
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ir: 3 2 3 3 2 2 2 2 3 3 2 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 6 8 8 14 7 7 4 4 3 3 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 7 12 3 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 4 4 3 3 7 43 37 15 4 3 2 2 2 2 2 0 35 89 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 5 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 9 3 2 3 2 2 2 2 2 2 2 7 100 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 2 2 2 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: 63 63 s 2H | 54 54 s 1H | 38 38 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(CN1CCOCC1)NC1(c2ccc(OCCCN3CCCCC3)cc2)CC1
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ir: 13 14 9 10 11 5 3 13 5 5 7 7 7 3 5 6 21 16 8 3 4 3 16 13 10 24 12 19 9 18 12 11 6 4 6 7 10 11 21 20 23 33 67 13 8 4 5 5 8 23 28 13 12 28 20 44 27 10 9 5 5 5 4 3 5 5 6 10 17 19 12 15 30 38 6 5 5 3 4 15 52 38 44 30 10 13 21 7 14 19 12 4 7 3 7 6 7 10 16 8 6 21 7 8 4 2 5 4 5 9 8 11 8 5 5 15 12 11 9 4 3 3 10 8 11 11 6 5 3 4 4 3 3 7 6 4 9 7 5 4 3 5 6 21 60 49 67 39 30 27 20 10 17 5 4 3 3 3 4 3 2 3 5 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 2 1 1 3 3 2 2 5 4 4 6 7 5 2 3 12 15 15 29 52 20 100 13 13 10 19 10 0 2 4 2 1 2 2 1 2 2 6 5 7 8 9 18 8 23 87 18 8 8 7 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 73 72 m 2H | 69 68 m 2H | 40 40 m 2H | 37 36 m 4H | 33 33 s 2H | 27 27 m 4H | 26 25 m 2H | 25 25 m 4H | 20 19 m 2H | 19 18 p 2H J 65 | 18 17 m 2H | 16 16 m 4H | 15 14 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COCCN1CCN(C(=O)CCCC(=O)O)CC1
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ir: 14 5 8 9 4 3 6 4 1 7 8 8 9 15 10 6 8 23 41 50 32 55 78 56 30 22 18 3 9 9 2 4 3 1 2 3 2 2 2 4 1 4 5 8 8 4 6 9 8 14 17 3 5 4 5 4 5 10 5 1 2 5 4 7 4 3 4 8 8 4 3 3 9 4 5 4 12 30 24 22 12 23 5 15 27 9 9 4 5 7 2 2 3 3 5 3 7 4 3 8 6 13 13 3 4 6 5 5 11 5 9 9 16 18 7 7 8 5 7 8 22 29 10 15 4 2 1 5 5 6 7 3 4 4 7 13 11 16 23 10 13 15 43 100 45 21 19 41 11 2 4 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 3 4 5 5 3 4 4 3 4 2 4 2 7 13 30 3 1 1 2 1 1 1 1 1 0 12 5 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 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: 35 34 m 7H | 33 33 s 3H | 27 26 m 6H | 25 24 m 4H | 19 18 tt 2H J 79 93
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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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Clc1cnc(N[C@@H]2CC[C@@H](N3CCCC3)CC2)cc1-c1cnc(Cl)c(NCC2CCOCC2)n1
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ir: 22 13 6 23 23 15 10 12 17 14 14 17 9 43 33 24 16 28 53 33 12 6 3 6 20 9 4 6 5 2 3 10 5 4 4 4 6 4 4 4 14 4 3 4 5 3 4 3 4 5 5 5 3 5 3 5 7 5 4 6 4 5 11 10 5 3 26 20 18 6 5 2 4 7 8 8 15 2 5 4 5 6 16 7 8 4 4 13 27 6 8 5 7 6 5 9 4 3 5 2 4 3 3 23 14 19 9 21 27 11 13 20 19 6 5 5 3 9 8 6 9 6 5 12 24 19 31 37 18 11 17 37 40 7 14 29 22 10 6 4 5 12 14 22 11 19 22 3 3 5 4 18 94 12 4 5 47 15 3 0 2 12 39 5 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 3 3 4 5 4 10 4 6 5 5 3 6 18 42 8 4 18 4 3 2 3 2 3 2 4 3 2 2 2 3 3 4 5 6 3 9 10 25 11 29 45 100 27 15 7 5 5 3 4 3 2 3 3 2 2 2 2 2 3 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 85 s 1H | 84 84 s 1H | 72 71 s 1H | 67 67 d 1H J 82 | 63 63 t 1H J 64 | 37 37 ddd 2H J 29 57 110 | 36 34 m 5H | 27 26 m 3H | 26 25 m 2H | 20 18 m 5H | 18 17 m 6H | 16 14 m 6H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C
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ir: 8 6 7 8 7 18 50 41 45 9 11 6 14 14 23 19 32 15 19 11 37 82 19 12 7 10 1 3 3 1 8 10 6 4 1 10 5 8 8 7 7 5 2 5 7 8 20 100 9 8 7 3 28 43 33 18 6 11 4 2 3 2 7 18 16 22 23 10 22 11 11 5 7 5 6 4 13 11 22 80 45 13 5 4 3 5 1 1 4 2 1 1 5 4 2 2 1 3 5 14 6 7 6 3 11 3 2 10 11 4 1 4 3 9 8 8 9 12 16 27 13 31 19 14 14 7 6 6 8 4 6 5 5 5 3 2 4 17 39 10 27 20 22 37 53 14 8 10 4 12 45 8 8 9 26 6 5 1 28 2 11 1 1 1 1 1 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 0 1 1 1 1 1 3 1 2 2 2 3 3 5 3 2 3 6 5 8 14 14 7 19 100 56 6 11 7 3 2 5 8 51 18 8 1 2 2 1 1 1 4 3 2 3 5 21 31 94 49 22 9 5 4 2 2 1 1 1 1 1 1 1 1 1 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 1 1 0 1 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; 1HNMR: 75 75 dt 1H J 9 18 | 74 73 m 3H | 72 71 ddd 1H J 15 28 123 | 71 70 m 1H | 69 69 dd 1H J 89 102 | 66 65 m 2H | 47 46 dd 2H J 8 52 | 46 46 s 2H | 39 38 s 3H | 22 22 s 3H | 20 19 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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CCN1CCC(Oc2ccc(N)cc2Cl)CC1
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ir: 11 11 21 11 12 5 7 4 7 7 2 2 1 3 2 2 4 4 2 1 1 2 2 1 1 2 2 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 1 5 3 2 2 1 2 2 1 1 2 2 12 4 3 3 1 1 1 2 2 1 2 2 10 12 1 1 2 2 1 1 2 4 2 2 3 6 9 2 6 3 8 2 1 1 1 1 3 1 1 1 1 1 1 1 3 3 2 2 1 1 1 1 1 4 2 2 1 1 1 2 2 3 2 1 2 2 1 1 1 1 2 1 1 2 2 4 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 6 9 17 49 13 4 3 2 1 7 6 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 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 2 3 9 4 6 14 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 9 22 3 2 1 1 1 2 2 0 0 6 55 100 9 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 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; 1HNMR: 68 68 d 1H J 86 | 68 68 d 1H J 21 | 67 66 dd 1H J 22 86 | 45 45 p 1H J 45 | 36 35 s 2H | 29 28 ddd 2H J 53 80 121 | 27 26 ddd 2H J 52 80 119 | 26 25 q 2H J 70 | 22 21 m 2H | 19 18 dddd 2H J 44 51 79 130 | 11 10 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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CCCC=CCC(O)C(=O)OC
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ir: 0 3 3 2 3 5 10 7 8 5 3 1 2 2 2 1 2 2 2 3 2 2 2 1 1 1 2 3 3 3 3 2 1 2 2 1 9 12 3 3 2 1 2 2 2 2 1 3 3 2 3 1 1 1 1 0 1 3 4 5 2 5 2 2 1 1 1 1 4 4 2 4 3 2 2 2 2 1 1 1 1 2 1 2 3 2 6 18 100 41 12 4 6 6 7 7 2 2 1 2 1 2 1 1 2 2 3 5 14 9 2 2 1 1 1 1 2 3 3 7 8 5 4 6 6 5 5 2 2 3 3 6 3 1 1 1 1 1 1 4 2 1 3 2 23 1 2 1 1 0 1 1 1 0 1 1 1 2 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 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 2 1 1 1 2 3 2 1 1 1 9 13 4 3 7 14 12 4 1 1 1 3 4 2 41 67 5 9 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 0 1 1 1 0 1 1; 1HNMR: 56 55 dtq 1H J 15 71 156 | 55 54 m 1H | 42 41 tdd 1H J 18 59 74 | 39 39 d 1H J 59 | 37 37 s 2H | 27 26 dtq 1H J 11 72 156 | 24 23 dtq 1H J 12 73 156 | 20 19 m 2H | 14 13 m 2H | 10 9 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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CC(C)c1ccc(-c2nn(NC(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1
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ir: 3 2 4 2 1 1 3 2 1 2 4 4 3 4 8 16 20 4 4 3 2 4 6 2 3 13 13 4 20 10 11 8 9 11 28 4 6 3 4 6 5 2 14 23 7 3 3 4 3 2 4 2 5 16 9 44 24 5 6 3 2 1 3 3 3 7 2 1 3 10 2 1 1 2 4 2 2 2 1 1 1 1 3 3 1 1 3 1 1 1 1 16 5 7 6 2 1 2 1 1 4 2 1 1 1 2 2 1 1 1 2 4 2 3 2 5 4 4 2 8 4 16 12 23 14 6 7 3 8 35 8 6 2 2 1 9 2 1 1 1 100 7 2 2 5 8 19 33 6 29 27 8 9 10 2 4 2 0 24 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 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 3 3 1 1 1 2 2 3 4 6 8 7 32 50 31 14 5 3 3 2 1 3 1 2 1 1 1 1 1 1 1 1 1 3 10 6 14 18 10 6 1 1 2 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 dd 1H J 16 83 | 78 78 m 2H | 77 76 m 3H | 74 73 m 2H | 73 72 s 4H | 36 36 s 2H | 30 29 m 1H | 13 12 d 6H 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](CCO)OC
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ir: 2 5 10 8 5 9 5 7 10 9 5 5 3 10 7 4 7 9 4 5 6 1 3 2 2 1 4 9 4 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 0 3 3 1 2 2 1 0 3 7 2 2 2 6 5 2 2 2 2 2 1 1 1 1 4 6 2 2 1 2 2 3 1 3 6 6 11 6 13 20 5 6 9 11 3 2 1 2 1 3 5 3 2 1 1 1 1 1 1 1 2 2 3 2 2 3 1 2 2 3 2 1 1 2 1 2 12 5 1 0 0 1 1 1 0 1 1 2 24 1 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 2 2 1 1 1 1 2 1 2 2 2 5 5 2 0 6 7 3 5 59 100 18 7 5 1 3 2 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 41 40 tq 1H J 15 70 | 39 38 dq 1H J 60 121 | 37 36 m 4H | 34 33 d 3H J 16 | 32 31 t 1H J 59 | 22 21 ddt 1H J 63 71 143 | 20 19 ddt 1H J 61 72 145
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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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CCN(CC)CCn1cc([C@@H]2CC[C@@](C(=O)O)(c3cccc(F)c3C)C2)cn1
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ir: 2 2 2 2 2 1 2 3 4 3 2 4 6 9 13 4 3 7 17 8 29 100 66 16 4 2 0 4 2 1 0 2 2 0 1 2 3 2 1 2 1 0 1 1 2 2 8 21 6 4 1 1 2 1 1 1 1 1 2 2 1 1 2 3 3 3 4 7 5 2 6 3 3 3 1 2 12 28 12 14 4 8 5 8 2 2 6 7 4 4 9 15 8 4 9 4 2 2 2 3 2 2 2 2 2 2 3 3 3 2 10 4 7 1 3 1 2 3 10 2 3 3 3 2 2 2 4 2 2 5 2 4 2 3 2 1 1 3 5 11 2 2 6 3 22 8 2 2 1 2 4 2 1 1 1 1 4 2 1 1 4 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 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 1 1 1 0 1 1 1 1 2 3 2 1 2 1 2 2 2 6 5 2 5 11 11 14 5 10 8 14 2 4 25 43 8 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 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 t 1H J 6 | 73 72 td 1H J 51 75 | 71 70 m 3H | 41 40 td 2H J 8 37 | 33 32 m 1H | 29 28 t 2H J 38 | 26 26 q 4H J 69 | 25 24 m 1H | 23 22 m 5H | 22 21 m 2H | 20 19 m 1H | 11 10 t 6H J 69
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(Nc1cc(CCC2CCCCC2)ccc1C(=O)O)c1ccccc1
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ir: 1 1 1 1 1 1 2 2 3 2 1 1 1 2 3 3 2 1 2 4 3 3 3 6 7 6 2 2 2 2 3 2 2 2 6 5 5 3 4 7 10 15 4 3 2 4 11 8 3 3 2 2 2 2 4 3 2 1 1 1 1 1 1 1 1 1 2 2 3 8 3 2 1 2 2 2 1 2 6 6 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 3 1 1 2 1 1 1 2 3 11 2 2 4 3 2 1 1 1 2 2 2 2 3 2 2 1 1 1 1 1 3 4 6 6 1 1 1 1 1 2 5 3 2 3 4 6 3 3 2 1 1 2 5 3 3 8 4 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 1 7 8 10 2 2 2 1 1 2 3 3 100 6 0 2 2 1 1 3 2 1 1 2 2 3 3 10 5 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; 1HNMR: 80 79 m 2H | 79 78 d 1H J 81 | 77 77 dt 1H J 9 20 | 75 75 m 1H | 75 74 m 2H | 70 69 ddt 1H J 9 20 82 | 27 26 tt 2H J 9 81 | 16 14 m 7H | 15 14 m 3H | 14 13 m 2H | 12 11 ddt 2H J 59 84 130
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)c1c(Nc2ccc(Br)cc2N)sc2ccccc12
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ir: 3 6 21 43 24 9 8 7 6 4 8 6 15 2 0 4 9 52 12 3 4 3 4 4 5 2 2 2 3 7 4 5 3 3 10 11 8 3 6 9 4 4 8 47 6 6 2 2 2 2 2 3 3 3 12 8 3 4 3 3 4 2 2 2 2 5 6 2 3 3 4 2 4 2 5 8 9 5 2 3 2 2 2 2 2 11 3 3 2 3 8 2 2 2 2 14 3 2 1 2 3 4 2 2 5 6 1 3 3 2 1 1 2 2 5 7 3 7 2 2 2 2 1 7 3 2 4 11 15 7 4 2 2 2 2 2 13 4 2 2 2 2 7 6 2 4 2 4 16 12 9 18 6 4 8 23 6 10 14 41 9 41 3 6 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 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 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 4 7 14 18 23 12 3 3 2 1 2 2 1 2 2 2 2 2 2 1 3 8 20 4 5 4 8 9 17 30 38 8 6 100 65 5 6 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 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; 1HNMR: 97 97 s 1H | 81 80 dd 1H J 14 74 | 78 78 dd 1H J 16 65 | 76 75 td 1H J 14 73 | 75 74 m 1H | 72 72 dd 1H J 22 82 | 71 71 d 1H J 84 | 68 67 d 1H J 22 | 50 49 s 2H | 42 41 q 2H J 64 | 14 14 t 3H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(OCc1ccccc1)N1CCC(CCCBr)CC1
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ir: 4 9 8 11 11 16 26 13 17 5 2 3 5 2 5 6 2 1 1 2 2 2 2 1 1 1 1 2 6 6 3 3 2 1 1 3 5 20 14 23 42 17 13 2 2 1 3 2 1 1 1 1 1 0 1 3 3 3 2 2 1 1 1 1 2 0 4 8 5 4 3 2 1 0 1 2 2 3 4 1 1 0 1 1 0 1 2 2 5 5 2 2 0 1 2 1 1 6 3 4 1 2 4 3 7 8 5 11 8 5 3 2 5 11 9 5 10 6 17 10 13 10 7 5 5 2 3 4 2 5 3 3 4 9 23 10 19 8 9 12 3 4 12 13 14 6 9 2 2 7 65 100 8 3 2 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 1 1 0 0 1 1 0 1 1 2 4 6 12 4 5 3 4 3 3 4 12 15 30 22 57 41 10 5 3 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 74 73 m 5H | 52 51 s 2H | 37 36 ddd 2H J 58 85 121 | 34 33 m 3H | 34 33 m 1H | 19 18 ddt 2H J 58 86 126 | 18 18 tt 2H J 48 77 | 17 16 ddt 2H J 57 84 124 | 16 15 hept 1H J 58 | 14 13 td 2H J 62 78
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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Fc1ccc(SC(c2cc(F)ccc2F)c2cc(Cl)ncc2Cl)cc1
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ir: 2 1 1 3 3 3 1 2 2 5 8 8 4 1 1 5 14 3 3 2 2 1 1 3 8 7 6 2 1 2 1 3 4 1 2 25 10 2 1 2 1 1 3 2 2 0 1 2 1 1 5 7 5 16 70 50 6 3 2 2 3 1 9 8 2 4 10 16 23 5 8 2 2 1 2 2 1 1 1 3 12 9 10 5 3 4 7 3 5 3 2 1 1 3 6 7 5 5 11 3 1 10 3 2 2 5 3 3 0 1 2 1 1 2 3 2 3 2 2 2 4 2 3 2 3 2 1 1 0 1 2 2 8 3 2 1 0 1 2 1 3 5 6 14 8 48 86 3 5 11 4 5 16 4 2 0 1 5 11 50 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 2 1 0 1 1 1 0 1 2 1 0 1 3 1 2 3 5 6 7 38 100 37 14 10 8 13 2 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 s 1H | 74 73 m 3H | 73 72 m 2H | 72 71 dddd 1H J 22 37 88 101 | 71 70 m 2H | 57 57 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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NN1C(=O)CCCC1c1ccc(F)cc1
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ir: 0 3 5 2 2 2 3 2 1 5 7 4 2 4 4 5 2 3 3 2 5 8 5 4 6 14 14 3 2 3 4 2 2 6 8 7 10 7 4 6 6 5 3 2 3 4 6 11 13 10 5 6 11 20 29 8 18 21 6 8 25 64 43 21 11 51 42 29 9 6 6 7 8 3 3 5 4 6 6 7 13 11 32 6 7 15 16 11 4 3 5 7 4 7 7 13 11 3 3 2 2 6 4 3 3 5 4 4 5 2 4 7 14 10 5 6 2 4 6 7 7 7 7 15 16 28 33 36 9 6 9 14 14 6 3 6 3 2 4 13 11 3 2 4 7 6 12 16 20 35 27 8 7 3 2 2 2 2 2 2 2 4 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 2 2 2 2 2 2 2 2 2 3 3 2 3 4 5 4 3 5 4 3 3 4 5 5 13 16 80 100 7 5 5 22 10 8 2 2 5 4 3 3 3 14 21 48 45 13 5 3 6 58 63 11 3 2 4 4 2 2 2 2 2 3 3 3 2 2 1 3 14 10 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 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; 1HNMR: 73 72 m 2H | 72 71 m 2H | 48 48 m 1H | 42 41 s 2H | 26 24 m 2H | 22 21 m 2H | 19 18 ddt 1H J 55 105 111 | 18 17 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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CCOC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(=O)NC(C)C)n2)cc1
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ir: 5 5 1 1 2 4 3 5 2 3 6 2 6 5 7 10 2 3 5 6 1 4 8 9 2 5 2 3 2 3 2 1 10 7 7 4 4 2 4 3 5 2 7 24 10 9 10 17 10 9 9 12 32 34 20 16 28 15 4 3 6 4 2 0 2 2 1 1 1 1 2 1 2 2 2 2 1 2 3 4 1 1 1 1 2 2 2 2 2 1 1 2 1 1 2 2 2 6 2 2 3 2 2 5 8 7 2 1 3 2 1 3 7 12 6 4 11 8 4 3 4 3 1 3 2 2 4 5 2 10 1 2 2 1 2 6 6 4 1 3 21 5 5 8 16 8 16 17 6 3 4 1 61 17 17 11 3 23 41 17 3 0 3 24 27 2 1 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 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 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 4 6 10 7 12 14 9 1 1 2 1 2 1 1 1 1 1 1 1 3 2 3 2 2 3 7 4 30 26 100 48 22 8 3 2 2 2 2 1 1 1 1 1 0 1 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 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 0 1 0 0 0 1; 1HNMR: 93 92 d 1H J 35 | 88 88 s 1H | 80 80 d 1H J 139 | 79 79 m 2H | 79 78 m 1H | 75 74 m 2H | 74 73 m 3H | 69 69 d 1H J 79 | 44 43 q 2H J 64 | 41 40 dp 1H J 56 79 | 14 14 t 3H J 64 | 12 12 d 6H 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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CCOC(=O)Cc1cccc2c(C(C)C)nccc12
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ir: 4 9 11 5 9 7 4 6 10 6 13 8 6 6 5 10 8 5 5 5 3 1 3 9 24 9 31 7 12 25 17 5 4 9 6 2 3 5 4 0 4 38 36 25 5 59 79 12 7 4 2 4 4 5 6 5 5 5 7 5 5 7 5 20 5 6 5 5 4 8 2 8 16 26 40 47 27 15 11 10 7 5 9 28 16 8 9 21 14 9 12 11 7 3 6 6 17 30 8 14 18 8 6 4 13 23 30 17 18 11 13 5 6 17 5 7 5 10 20 18 28 50 62 50 14 10 10 9 15 16 24 7 13 9 47 30 26 12 13 11 10 11 38 99 91 72 17 19 19 14 48 71 11 2 3 5 7 30 36 23 4 5 4 2 3 12 45 52 3 0 2 3 2 0 2 3 1 1 2 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 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 2 2 1 1 2 2 1 2 2 2 2 2 2 3 2 2 5 7 3 4 3 4 7 15 11 8 6 9 9 24 48 36 66 38 78 97 100 23 15 6 3 3 3 3 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 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 2; 1HNMR: 84 84 d 1H J 51 | 83 82 dd 1H J 16 91 | 78 78 d 1H J 53 | 75 74 m 1H | 74 73 dd 1H J 79 91 | 42 41 q 2H J 66 | 38 37 d 2H J 9 | 32 31 hept 1H J 68 | 13 12 t 3H J 66 | 12 12 d 6H 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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O=C1NCCN1C(=O)Oc1ccccc1
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ir: 9 8 14 18 19 19 20 20 10 9 11 8 7 12 10 7 6 8 9 6 6 8 8 7 7 8 8 7 9 9 9 6 7 8 8 10 8 13 22 16 21 23 10 7 9 9 10 7 8 12 11 8 7 9 8 5 7 10 8 7 9 11 8 7 8 9 11 8 12 14 7 5 8 9 7 6 7 9 8 7 8 8 6 6 8 9 7 6 8 8 6 7 9 8 6 6 8 7 6 7 8 7 6 10 10 7 5 7 9 9 7 8 9 8 7 8 9 7 7 10 10 12 9 10 9 9 6 8 10 15 12 11 9 7 10 11 25 22 28 15 10 8 19 33 21 9 8 8 8 10 12 15 11 11 9 4 8 44 28 100 20 0 5 12 8 3 7 11 7 3 7 10 7 4 7 10 7 4 7 9 6 5 7 9 6 5 7 9 6 5 8 8 6 5 8 8 6 6 8 8 6 6 8 8 6 6 8 8 5 6 8 7 5 6 8 7 5 6 8 7 5 7 9 7 5 7 9 7 5 7 9 7 5 7 8 7 5 7 8 6 5 7 8 6 5 7 8 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 7 6 7 9 8 6 7 9 7 5 7 9 8 8 10 14 15 21 17 11 10 8 8 9 7 6 7 8 8 6 9 8 8 6 8 9 7 7 8 10 23 18 14 34 16 9 8 9 7 7 9 8 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 5 7 8 7 5 7 8 7 5 7 8 7 6 7 8 6 6 7 8 6 6 7 8 6 6 7 8 6 6 8 8 6 6 8 7 6 6 8 7 6 6 8 7 6 6 8 7 6 6 8 7 6 7 8 7 6 7 8 7 6 7 8; 1HNMR: 77 77 t 1H J 26 | 76 75 m 1H | 75 74 m 2H | 73 72 m 2H | 38 37 m 2H | 34 33 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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C[C@@H]1CC[C@@H](Cn2c(N3CCOCC3)nc3nc(C#N)nc(-c4cccc(Cl)c4)c32)CC1
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ir: 9 4 1 5 9 5 0 6 9 5 2 6 10 5 7 6 7 3 4 9 9 4 3 9 8 3 4 7 8 7 6 10 11 9 4 8 6 3 5 12 11 7 24 30 10 4 8 21 9 2 4 9 5 2 4 8 6 1 5 9 4 1 5 9 4 4 9 12 4 2 8 8 12 9 6 7 4 2 6 7 3 3 8 8 3 7 7 7 2 3 7 6 3 5 8 6 3 4 11 7 2 4 9 7 2 6 10 7 1 6 10 8 3 7 10 5 3 12 9 6 4 9 9 7 3 7 12 12 3 6 8 4 2 7 7 4 4 10 13 18 17 7 9 48 8 19 26 3 3 6 23 9 14 100 5 20 4 6 5 2 5 7 5 2 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 4 7 4 2 5 6 3 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 4 6 5 3 5 8 6 3 5 8 5 4 6 7 11 5 10 34 14 6 6 7 4 3 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 77 77 ddd 1H J 15 22 86 | 76 76 t 1H J 21 | 74 74 dd 1H J 79 86 | 74 73 ddd 1H J 14 21 79 | 43 43 dd 1H J 69 150 | 42 41 dd 1H J 70 150 | 38 37 dd 4H J 43 51 | 33 33 m 4H | 18 16 m 3H | 15 13 m 5H | 12 11 dddd 2H J 49 73 82 119 | 9 9 m 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COC(=O)[C@@H](O)Cn1c(=O)[nH]c(=Nc2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
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ir: 4 8 6 4 8 5 4 8 7 6 5 13 11 8 5 5 5 8 7 4 2 1 2 2 2 2 2 3 3 3 2 4 4 5 5 5 3 3 2 3 2 2 3 3 4 3 8 10 5 5 4 12 100 23 15 27 18 7 13 12 5 1 3 3 3 4 4 3 3 8 6 5 2 5 3 4 3 4 5 15 4 2 2 3 2 2 4 8 8 7 17 24 12 13 21 6 5 8 3 7 4 3 4 3 3 2 3 6 10 4 3 3 4 2 2 2 3 4 6 5 4 5 2 6 9 9 14 6 3 3 3 3 3 2 2 2 2 2 2 2 2 2 3 6 7 3 6 6 3 2 4 4 8 5 2 3 3 28 23 9 11 13 10 38 2 3 2 0 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 1 1 1 1 1 1 1 1 1 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 2 2 1 2 2 2 1 1 2 1 1 2 1 2 1 2 2 2 2 2 3 2 3 2 3 4 3 3 4 3 3 4 5 9 7 18 29 29 10 10 20 22 46 45 83 37 12 5 4 2 2 2 2 3 2 2 2 2 2 3 16 53 11 7 3 2 2 2 2 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 s 1H | 74 73 m 4H | 72 72 d 1H J 19 | 69 68 m 2H | 51 50 t 2H J 8 | 48 47 q 1H J 63 | 46 45 hept 1H J 57 | 44 43 dd 1H J 62 130 | 41 41 dd 1H J 61 131 | 40 39 d 1H J 64 | 37 37 s 2H | 23 23 s 3H | 14 13 d 6H J 56
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCOC(=O)c1oc2cccc(CC)c2c1C
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ir: 18 4 3 14 36 25 6 3 6 11 77 18 7 19 13 9 3 3 2 1 3 7 2 1 2 1 2 4 10 30 12 1 1 2 1 2 2 3 7 39 6 7 2 2 2 1 26 100 30 12 5 1 1 5 3 2 2 4 7 2 2 6 8 0 2 3 2 10 10 4 5 2 8 5 7 4 28 7 17 5 4 8 3 2 2 1 1 1 2 4 3 9 57 18 26 18 2 2 1 2 2 3 1 2 2 2 1 19 15 3 1 7 7 9 30 14 35 18 17 38 20 20 14 8 9 7 19 10 3 17 11 6 6 6 4 3 2 3 4 65 11 33 56 7 0 28 2 2 2 6 39 16 15 1 1 1 1 55 14 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 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 2 3 8 5 3 6 3 2 7 7 7 4 4 5 6 17 86 19 17 84 37 11 4 6 3 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 dd 1H J 12 70 | 72 72 m 1H | 71 70 dq 1H J 10 77 | 44 43 q 2H J 64 | 29 28 qd 2H J 9 73 | 26 26 s 2H | 14 14 t 3H J 64 | 13 13 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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Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)O)cc1C(=O)Nc1nccs1
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ir: 0 1 2 4 2 1 1 1 1 3 3 2 3 0 1 2 1 3 4 2 7 38 100 5 5 1 2 1 2 3 1 1 0 1 1 1 1 1 1 2 4 7 8 2 2 1 1 0 1 5 5 11 11 7 3 19 3 0 0 0 0 0 0 0 0 0 1 2 1 2 4 1 1 1 0 7 5 1 9 3 2 1 1 1 1 2 2 3 5 1 1 1 3 1 0 0 1 0 0 0 0 1 0 0 0 0 0 1 2 0 1 2 1 1 2 3 4 2 0 0 1 0 0 0 1 1 2 1 1 2 1 1 12 2 1 3 8 24 10 5 3 2 8 2 1 1 12 9 3 2 9 18 8 2 1 0 3 2 1 0 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 0 0 0 0 0 0 1 1 2 1 1 3 2 3 8 4 18 3 1 0 1 0 0 2 11 6 1 0 0 0 1 0 1 1 1 0 2 10 14 5 8 3 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 22 | 81 80 m 2H | 77 77 d 1H J 86 | 77 76 dd 1H J 22 121 | 75 75 d 1H J 44 | 75 74 d 1H J 73 | 73 73 d 1H J 44 | 31 30 dp 1H J 47 73 | 25 24 d 3H J 37 | 10 9 m 2H | 7 6 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)c1cc2nc(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)c2n1C
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ir: 2 1 1 1 2 2 17 4 2 2 1 2 9 4 7 1 1 2 3 6 2 1 1 2 11 2 2 1 1 2 2 2 15 16 2 1 1 2 1 2 1 4 2 0 1 1 1 1 3 7 1 3 3 2 6 6 30 4 2 1 1 1 1 10 2 1 0 1 6 2 1 4 9 7 9 2 2 2 1 1 1 1 1 1 4 2 1 2 1 1 1 2 1 2 6 4 6 2 1 1 4 4 1 1 1 1 0 1 2 5 1 5 2 2 36 1 2 3 5 6 9 7 8 8 5 4 2 1 1 1 1 1 1 1 1 1 1 15 3 2 1 0 4 8 1 2 28 26 4 5 3 2 5 4 1 1 1 0 1 2 56 5 3 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 2 3 12 8 100 19 13 5 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 m 2H | 78 78 m 2H | 75 75 m 4H | 73 72 s 1H | 72 71 m 4H | 40 40 s 3H | 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(C)c1ccc(CO)c(=O)c(O)c1
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ir: 12 8 12 11 14 24 10 12 10 10 8 9 6 6 5 13 7 6 6 3 4 11 7 28 21 87 94 100 77 16 0 10 9 3 2 7 8 5 2 5 4 1 2 5 4 2 2 7 6 26 22 17 10 7 6 5 6 6 7 28 23 13 10 6 3 3 5 5 5 6 5 4 3 5 14 19 13 12 10 6 4 8 16 16 60 92 85 78 26 44 43 23 12 14 21 22 9 28 11 13 16 6 14 18 36 13 3 5 3 3 3 3 3 4 3 6 11 8 4 4 4 7 9 5 2 4 4 3 3 4 4 3 2 3 3 3 3 3 4 2 3 6 10 55 24 20 2 5 4 2 2 2 6 10 5 3 2 2 2 2 2 9 11 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 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 3 4 3 2 3 4 3 2 3 3 3 3 3 5 10 6 5 3 3 23 22 13 8 10 18 88 53 39 10 3 4 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 89 88 s 1H | 73 72 dp 1H J 13 88 | 70 70 dp 1H J 10 86 | 67 67 dt 1H J 11 20 | 46 46 dt 2H J 12 59 | 42 42 t 1H J 59 | 30 29 m 1H | 13 13 d 6H 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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Nc1nc(SCc2ccccc2)nc2c1ncn2Cc1ccccc1
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ir: 3 2 1 1 2 1 2 6 15 9 5 5 4 3 2 2 2 2 3 3 3 6 3 12 11 9 4 1 4 6 8 3 10 6 2 3 14 2 17 9 5 12 11 39 5 7 5 5 3 2 1 1 1 1 2 1 1 1 1 1 1 0 1 2 1 1 2 9 5 3 2 1 1 1 1 1 1 3 4 1 1 1 2 1 0 1 1 2 6 2 1 1 0 1 1 1 2 2 4 1 1 3 4 2 1 1 1 3 3 1 0 2 3 20 4 1 0 1 1 2 2 4 7 13 3 3 1 1 1 1 2 2 4 7 6 7 2 2 1 1 1 2 14 11 4 5 9 12 3 2 2 4 12 100 92 5 25 3 2 2 2 0 1 1 1 0 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 0 1 1 1 1 3 9 11 10 20 6 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 10 9 1 1 1 1 0 1 1 0 0 3 5 46 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 8 | 74 74 dq 2H J 10 76 | 74 72 m 6H | 72 71 ddq 2H J 8 14 58 | 67 66 s 2H | 55 55 q 2H J 9 | 44 44 t 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.
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O=Cc1ccccc1NC(=O)CC1(c2ccncc2)NC=CS1
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ir: 11 3 5 4 4 7 3 2 2 1 1 2 4 7 5 5 10 3 2 4 8 3 5 3 7 3 3 4 4 4 8 15 8 6 4 8 6 3 6 3 3 4 13 19 13 28 27 14 8 1 2 6 2 1 1 3 3 1 1 2 1 1 3 3 6 2 1 2 1 0 3 7 9 2 8 3 2 1 1 2 1 2 2 1 1 1 1 1 2 1 2 2 3 13 3 2 1 2 1 1 1 3 4 2 0 5 2 1 0 2 3 3 0 1 2 1 0 1 3 3 1 3 3 2 4 5 2 3 1 3 3 9 7 5 3 1 5 5 7 21 42 11 9 3 3 9 27 39 4 2 2 13 5 28 6 3 8 2 1 2 12 8 15 3 1 1 1 0 1 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 6 4 1 1 1 1 0 1 2 5 4 10 41 27 7 3 2 1 1 1 2 0 0 1 1 1 0 1 2 1 1 2 3 7 7 15 100 30 9 2 2 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 m 2H | 81 80 dd 1H J 14 81 | 80 79 dd 1H J 14 80 | 77 77 td 1H J 13 76 | 76 76 m 2H | 74 73 ddd 1H J 13 73 80 | 69 68 dd 1H J 39 56 | 59 59 d 1H J 38 | 56 55 d 1H J 55 | 36 35 d 1H J 172 | 33 32 d 1H J 172
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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(C(=O)O)ccc2c1C(O)C(C)(C)CS2(=O)=O
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ir: 10 13 17 12 10 10 9 5 9 7 5 13 7 14 9 13 14 4 9 3 12 39 100 32 22 5 8 16 5 1 2 1 2 1 5 2 2 2 1 2 5 3 2 6 5 9 3 3 3 1 1 2 3 3 5 2 1 0 1 5 8 0 3 6 8 6 11 20 13 4 3 4 2 4 4 5 5 11 97 14 6 7 78 32 8 10 23 25 17 13 14 7 4 19 22 5 13 6 9 21 11 5 2 4 5 2 3 3 4 10 14 6 5 7 24 18 8 7 2 6 6 4 2 2 3 6 4 3 4 4 5 5 7 4 2 1 2 2 2 4 3 4 15 48 14 3 3 4 4 1 1 1 1 13 5 0 1 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 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 2 3 13 3 1 1 2 3 4 19 16 5 16 18 18 8 6 14 19 19 19 12 26 49 22 4 2 1 1 1 1 0 0 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 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; 1HNMR: 79 78 d 1H J 97 | 78 78 d 1H J 97 | 46 45 dh 1H J 15 60 | 35 35 d 1H J 143 | 33 33 d 1H J 145 | 31 30 d 1H J 53 | 26 26 s 3H | 12 12 d 3H J 14 | 12 11 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(Br)c2c1nc(C(F)(F)F)n2C
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ir: 5 7 3 2 2 3 3 2 2 2 3 2 2 2 2 5 3 2 3 2 8 14 3 3 2 3 7 3 2 2 2 2 2 3 3 2 2 2 2 2 4 3 2 1 2 3 2 1 2 3 2 0 3 12 100 24 4 0 2 4 2 2 2 7 2 3 3 23 2 3 3 3 6 4 2 5 2 2 2 2 2 2 2 2 3 6 3 2 3 3 0 33 4 3 3 3 3 6 14 18 1 4 5 24 8 2 3 4 1 2 2 2 2 2 4 4 2 3 3 4 3 4 3 3 3 7 3 4 2 2 1 4 1 2 2 2 20 3 3 2 2 7 6 2 2 13 2 2 2 7 2 2 2 2 2 4 2 3 2 17 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 6 8 13 24 11 9 6 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 d 1H J 84 | 70 69 d 1H J 82 | 41 41 s 3H | 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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CCCCc1ccc(NC(C)=O)c(Cl)c1
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ir: 0 1 4 12 4 5 2 1 1 2 4 3 2 1 6 5 8 6 10 25 4 2 3 1 2 5 10 5 6 3 5 11 5 9 15 14 24 49 22 14 12 0 7 4 4 9 6 3 5 1 7 11 11 52 45 35 34 8 6 2 4 6 3 7 4 5 9 15 13 16 9 14 11 11 7 4 2 3 2 3 2 2 2 1 2 1 1 1 1 1 1 1 1 3 10 13 9 1 9 60 11 2 1 1 2 1 0 2 4 3 4 3 4 5 4 5 9 16 9 11 8 6 7 5 5 4 5 3 4 2 3 3 4 1 12 20 10 4 3 2 1 2 2 1 4 19 25 7 10 42 96 44 17 60 13 1 1 1 1 0 1 3 2 1 1 1 1 3 1 0 0 1 1 0 1 1 1 0 0 1 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 7 2 3 4 6 5 3 2 4 4 5 6 5 13 22 11 50 62 68 21 6 3 4 6 2 2 2 2 1 0 2 2 1 1 2 4 2 5 3 69 60 100 39 7 5 7 3 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H | 75 74 d 1H J 81 | 72 71 dt 1H J 9 20 | 70 70 ddt 1H J 9 20 81 | 26 26 tt 2H J 9 83 | 21 21 s 2H | 16 15 tt 2H J 67 84 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
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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(-c2nnc3c4ccccc4c(OCc4cn(CCN(C)C)nn4)nn23)no1
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ir: 3 9 0 4 6 3 4 13 12 13 5 4 4 2 1 3 3 3 7 6 4 7 2 7 7 6 30 14 10 3 1 3 4 2 2 7 12 5 13 6 10 9 22 65 19 4 2 6 13 0 2 6 4 9 7 3 12 5 6 14 12 47 18 8 17 35 25 35 8 12 19 12 16 7 19 7 4 8 7 3 13 5 8 12 2 6 26 17 7 7 11 6 9 9 14 8 5 14 5 11 10 7 6 9 19 65 34 22 32 11 10 4 8 7 10 20 33 12 26 39 9 39 41 11 6 9 14 11 7 15 9 42 12 9 2 9 22 5 15 13 10 10 4 4 4 21 64 15 5 7 5 3 25 6 3 1 5 2 2 1 8 4 2 2 1 3 2 1 1 2 2 1 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 2 2 2 1 1 2 6 2 9 8 8 8 11 20 14 17 10 3 11 14 14 63 83 47 37 100 98 15 7 14 8 3 4 2 2 1 2 2 1 1 2 2 1 1 1 2 1 0 3 3 1 1 4 4 3 2 4 3 16 54 9 3 3 3 3 3 4 2 1 2 1 1 2 2 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 dd 1H J 14 80 | 82 82 dd 1H J 17 72 | 78 77 m 2H | 77 76 td 1H J 12 73 | 70 70 s 1H | 56 56 d 2H J 9 | 42 42 td 2H J 9 40 | 28 28 t 2H J 40 | 25 25 s 3H | 23 23 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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O=C(NC[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21
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ir: 1 1 5 2 1 1 1 1 1 1 1 2 2 1 2 6 4 1 3 5 5 29 13 15 14 5 2 6 4 6 2 2 2 3 2 1 0 2 24 3 14 10 21 10 8 1 3 2 2 1 2 3 2 3 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 4 4 2 6 8 6 6 22 24 6 6 7 5 6 5 6 10 29 22 6 3 3 8 3 3 2 2 1 1 1 1 1 0 1 2 2 3 1 1 1 2 1 1 1 3 1 2 1 4 3 2 1 1 1 1 1 4 1 1 1 1 1 1 2 6 3 1 1 20 2 2 5 8 21 32 4 3 9 5 1 0 1 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 2 1 2 1 2 2 2 4 2 36 9 3 2 1 2 4 8 28 100 36 24 7 1 1 1 2 0 0 1 1 1 1 5 12 14 3 1 1 0 0 1 1 0 0 1 0 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 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 78 77 m 2H | 77 76 ddd 2H J 7 14 77 | 76 75 td 2H J 12 77 | 74 74 td 2H J 14 78 | 62 62 t 1H J 74 | 49 49 d 1H J 57 | 44 44 d 2H J 47 | 42 42 ddd 2H J 46 56 106 | 37 36 ddd 1H J 48 73 134 | 35 34 ddd 1H J 49 74 136
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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(S(=O)(=O)NCCCCCCCC(=O)O)cc1
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ir: 5 9 6 3 1 5 3 5 4 4 1 7 1 9 3 3 2 2 3 3 7 8 24 10 4 2 3 1 1 1 1 0 4 2 1 1 1 2 4 8 5 10 2 7 3 7 2 2 1 3 3 16 13 3 18 6 4 2 2 6 3 4 9 1 8 16 5 6 1 6 4 1 2 4 4 4 5 8 17 7 6 2 4 11 7 13 2 4 6 6 1 1 1 2 1 1 3 9 17 5 2 4 9 12 36 12 8 5 2 2 1 1 1 2 1 2 1 1 4 6 5 3 3 3 3 6 4 4 4 1 2 2 3 1 1 1 0 1 1 1 1 2 3 24 4 3 2 4 3 2 3 2 3 0 1 1 0 0 0 0 2 6 1 0 0 0 0 0 0 0 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 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 0 1 1 1 1 1 1 0 1 2 0 2 1 4 5 7 12 9 3 2 2 2 1 1 4 20 100 4 1 1 2 1 1 1 1 0 2 49 8 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 77 77 m 2H | 71 70 m 2H | 59 58 t 1H J 66 | 38 38 s 2H | 28 27 dt 2H J 59 66 | 23 23 t 2H J 89 | 17 16 tt 2H J 76 89 | 15 12 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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CCOC(=O)[C@H](O)C(C)(C)COS(=O)(=O)CCCNC(C)=O
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ir: 5 3 6 12 9 13 15 5 1 5 4 4 9 6 3 3 1 2 3 3 3 4 2 2 3 1 2 3 3 4 7 8 10 13 12 30 18 7 5 6 4 3 3 2 2 1 3 5 2 6 9 11 9 3 4 3 3 3 1 2 2 2 2 4 4 2 10 10 4 12 22 12 6 52 9 3 3 3 2 1 2 2 1 1 3 5 47 53 36 42 51 26 11 4 7 2 4 5 5 3 6 2 4 9 22 7 5 3 4 2 4 3 8 15 10 4 4 4 5 8 10 12 6 9 5 6 8 2 1 6 4 4 4 3 3 2 2 2 2 3 2 2 5 16 34 27 37 14 60 18 13 3 3 2 1 0 1 2 1 0 1 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 3 1 1 2 2 2 5 7 3 2 6 6 7 4 3 5 3 4 5 19 22 15 4 4 1 2 3 3 2 0 27 100 18 5 1 2 1 2 1 1 1 2 2 3 4 6 14 11 6 4 7 5 8 6 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 1 1 1 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: 62 62 t 1H J 53 | 42 41 p 2H J 64 | 41 41 dp 1H J 15 68 | 40 40 d 1H J 121 | 39 38 d 1H J 121 | 35 34 d 1H J 68 | 33 32 td 2H J 52 67 | 32 31 t 2H J 102 | 20 19 m 2H | 20 20 s 3H | 12 12 d 3H J 14 | 12 11 d 3H J 14 | 11 10 t 3H J 64
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CC=CCC1C(=O)c2cc(C)ccc2C1(C)C
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ir: 4 5 33 4 8 63 4 4 2 4 2 2 1 9 12 21 42 3 3 1 2 1 1 1 5 2 2 1 3 17 2 0 1 1 1 2 5 4 14 12 22 5 2 1 1 0 2 3 3 5 2 3 4 21 30 1 6 4 2 1 2 1 5 11 8 13 7 7 5 6 34 17 12 10 14 60 19 12 9 3 2 3 1 1 2 6 1 3 38 21 5 10 4 3 2 3 3 4 10 9 4 6 6 4 4 3 0 3 1 3 5 7 26 25 39 11 16 14 8 25 47 29 19 10 14 4 8 12 20 21 9 10 4 6 7 5 5 17 30 14 3 2 1 2 2 2 19 55 30 4 2 49 3 3 2 1 1 1 1 1 1 6 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 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 2 1 1 1 4 7 5 3 4 3 7 7 8 5 6 6 18 31 72 54 42 100 97 18 17 10 5 6 3 4 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 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 0 0 0 0 0 0 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 1 0 0 0 1; 1HNMR: 76 76 m 1H | 73 72 d 1H J 76 | 72 71 ddd 1H J 8 20 80 | 57 56 dddd 1H J 40 53 66 144 | 54 53 m 1H | 34 33 tdq 1H J 15 31 75 | 26 25 dddt 1H J 11 55 75 152 | 24 24 d 3H J 9 | 23 22 dddt 1H J 12 65 77 153 | 16 16 m 3H | 15 14 d 3H J 15 | 14 14 d 3H J 15
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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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Cn1cnc2c(Nc3ccc(Cl)cc3)nc(NN)nc21
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ir: 6 2 7 6 6 6 7 8 9 15 42 8 3 3 4 4 3 2 2 8 16 8 5 5 2 4 2 4 6 10 11 3 4 4 4 3 2 2 5 12 4 4 5 7 8 4 3 3 4 6 8 6 17 6 22 47 13 12 6 6 2 2 2 4 6 8 2 2 3 14 2 3 4 1 3 3 1 3 6 8 8 9 6 2 2 4 3 3 3 1 2 3 4 10 3 3 5 15 9 3 3 2 1 6 4 40 4 2 2 1 2 2 0 4 6 3 2 4 2 7 3 4 8 12 31 15 10 5 2 5 3 2 2 2 5 8 5 7 7 4 2 3 3 2 5 7 7 3 11 13 10 2 2 8 2 2 2 1 1 1 1 3 2 0 2 3 6 47 7 1 2 3 8 79 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 2 2 5 5 23 30 16 100 18 5 4 3 3 3 2 2 2 2 3 3 4 4 3 10 16 11 7 6 9 15 47 9 4 2 2 1 2 1 1 2 2 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 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; 1HNMR: 91 91 s 1H | 82 82 d 1H J 9 | 81 81 t 1H J 38 | 76 75 m 2H | 74 74 m 2H | 55 54 d 2H J 37 | 36 36 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]cnc2cc(C(F)(F)F)cnc12
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ir: 1 8 5 4 4 2 2 1 0 1 3 12 18 17 3 8 5 20 4 1 1 7 5 11 2 2 11 9 12 7 2 0 1 5 28 41 36 51 4 2 2 2 2 0 1 2 2 4 6 16 32 76 19 2 2 1 2 3 3 1 1 2 1 0 1 2 2 4 5 11 3 1 1 2 1 1 3 4 1 1 3 5 1 5 2 2 1 1 3 2 4 24 18 27 8 5 9 18 6 18 12 4 2 1 2 1 0 1 2 2 4 7 2 15 2 3 4 3 1 2 3 4 3 4 4 33 31 100 29 2 0 3 4 0 0 2 2 2 2 5 6 1 1 3 3 29 27 36 9 7 6 5 2 2 30 15 24 1 3 32 22 32 16 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 0 1 1 1 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 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 4 5 5 11 6 4 1 1 2 1 0 1 2 2 2 2 2 1 1 1 2 1 1 3 19 22 30 40 27 3 1 4 3 8 7 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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; 1HNMR: 87 87 p 1H J 13 | 83 83 d 1H J 80 | 79 79 dq 1H J 9 18
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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(OC(F)(F)F)cc(C(=O)c2cc(Cl)nc(Cl)c2)c1
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ir: 4 4 2 3 2 4 3 2 4 3 2 3 4 3 2 3 2 3 2 5 6 2 3 2 2 2 2 2 3 2 3 3 5 26 6 5 5 13 4 56 7 3 2 2 1 1 1 1 1 2 2 4 2 1 2 1 2 1 1 1 1 1 1 2 2 9 5 20 50 16 18 7 2 4 4 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 5 27 65 22 65 54 55 48 5 6 4 5 3 1 1 1 2 5 1 1 1 1 1 2 2 7 8 9 6 5 12 26 12 7 24 19 2 2 1 2 2 1 0 4 71 4 3 2 13 17 14 3 1 2 1 1 1 2 8 5 3 2 1 0 1 5 13 58 9 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 6 8 100 60 15 6 5 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: 77 77 s 2H | 75 74 t 1H J 23 | 71 71 t 1H J 22 | 69 69 t 1H J 23 | 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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CCCc1cccc2c1CCN1C(=O)CNC(=O)C=C21
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ir: 5 7 4 5 7 4 9 11 8 3 1 3 6 5 9 4 9 20 4 8 12 17 61 12 2 4 5 5 4 2 3 11 40 26 12 31 36 15 15 29 16 9 6 2 3 3 12 21 27 11 9 7 5 7 9 5 3 1 2 4 2 3 3 4 2 1 5 4 2 2 13 5 6 14 28 18 10 3 7 4 2 2 2 3 1 2 4 8 3 4 10 6 2 6 5 4 1 1 4 2 1 2 3 4 3 15 8 5 8 7 7 7 4 8 8 12 11 8 18 21 22 18 16 5 1 12 8 9 30 12 4 2 2 5 10 3 6 5 24 14 20 23 5 5 5 7 51 56 71 100 20 12 3 7 4 0 3 19 16 2 2 4 6 6 12 42 87 13 2 6 2 0 2 3 1 0 2 3 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 2 3 1 0 2 2 1 0 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 2 4 2 1 7 6 8 3 3 4 4 4 7 24 24 27 13 37 33 9 7 7 2 4 3 2 2 2 3 3 2 1 2 2 2 2 3 3 4 16 31 18 41 56 16 7 7 6 4 2 1 1 3 2 1 1 3 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 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 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 73 dd 1H J 13 86 | 72 71 m 1H | 70 70 dq 1H J 10 80 | 67 67 t 1H J 60 | 60 59 s 1H | 42 41 t 2H J 55 | 39 39 d 2H J 60 | 30 29 td 2H J 17 54 | 27 27 td 2H J 9 65 | 17 16 dtd 2H J 65 75 140 | 10 9 t 3H J 75
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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COc1cc(C(=O)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1OC
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ir: 4 3 4 4 3 5 3 4 4 3 3 4 3 4 5 8 15 4 4 3 3 4 4 3 4 3 3 3 6 7 15 13 6 6 3 4 4 7 8 16 73 100 42 18 14 3 4 6 5 0 7 17 64 13 5 3 4 4 3 3 3 4 5 4 7 5 4 5 12 14 10 9 11 13 11 19 6 5 6 14 5 4 3 3 3 3 3 3 3 3 3 4 8 4 5 6 3 3 3 5 3 7 11 5 4 4 4 4 4 8 10 4 3 3 3 4 3 4 6 15 9 6 4 7 15 7 8 19 5 43 9 8 9 8 43 6 4 6 17 14 57 9 6 8 13 36 13 9 6 4 5 4 4 6 4 3 3 5 3 20 3 4 10 36 8 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 4 5 4 13 8 17 30 73 21 12 11 3 7 4 4 4 4 4 3 3 3 4 3 3 3 3 3 3 3 4 4 4 7 10 27 36 9 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 78 77 m 3H | 75 74 m 3H | 74 74 m 1H | 71 71 s 2H | 71 71 s 1H | 39 39 s 6H | 39 38 s 3H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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CCCCCCCCCCc1nnc(-c2ccc(O)c(F)c2)s1
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ir: 48 7 8 5 5 11 27 6 1 2 2 2 1 2 4 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 3 3 3 6 6 9 8 7 10 13 12 8 5 4 4 2 3 4 4 6 6 14 16 5 4 6 5 3 4 4 2 2 2 3 6 14 27 75 9 5 3 2 4 4 4 13 22 22 14 20 26 4 6 4 4 4 11 9 20 20 6 9 0 18 11 9 4 3 5 8 3 2 2 2 6 5 5 18 9 7 4 9 8 8 10 8 8 15 6 4 3 7 5 6 10 3 4 4 3 2 4 2 1 2 2 1 1 2 2 2 5 45 3 1 1 2 3 7 9 2 7 3 2 2 2 1 1 2 1 2 2 2 2 1 2 2 1 2 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 3 2 4 6 8 6 5 5 4 1 3 4 5 11 27 8 11 12 70 5 6 3 2 5 14 100 53 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 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; 1HNMR: 76 75 dd 1H J 22 97 | 74 73 dd 1H J 22 121 | 70 69 dd 1H J 47 97 | 60 59 d 1H J 35 | 29 28 t 2H J 76 | 19 18 p 2H J 78 | 15 14 dtd 2H J 65 74 86 | 14 12 m 12H | 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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Cn1cc(-c2ccc3ccc(F)c(-c4cc5c([nH]4)CCNC5=O)c3n2)cn1
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ir: 4 4 3 3 3 3 4 2 5 3 19 10 2 2 3 2 0 4 3 16 1 6 23 32 24 7 6 4 4 4 2 3 11 6 10 2 2 3 2 2 1 4 3 6 21 31 9 5 5 10 6 16 100 6 6 7 3 13 6 3 12 4 2 1 3 5 3 6 6 4 1 1 6 2 2 2 5 13 5 2 2 2 1 1 2 2 1 1 2 4 56 3 6 13 7 4 6 6 1 2 3 3 10 12 14 3 1 1 6 2 0 1 2 2 1 4 4 5 11 4 3 3 2 17 9 4 5 35 66 2 0 8 9 21 4 5 2 2 2 5 3 5 15 34 9 1 0 14 100 7 13 10 20 5 2 43 5 5 68 4 22 5 14 4 2 7 1 2 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 2 1 1 2 2 1 2 3 2 1 2 3 1 3 4 10 8 25 23 12 13 11 13 3 2 2 3 2 1 1 2 2 1 2 3 3 2 4 4 13 23 8 24 86 21 9 6 4 2 2 3 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 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; 1HNMR: 96 96 s 1H | 86 85 dt 1H J 7 81 | 82 81 m 2H | 79 78 m 1H | 77 76 s 1H | 74 74 dd 1H J 87 103 | 74 73 m 2H | 39 39 s 3H | 36 36 td 2H J 31 39 | 31 30 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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CCCCC=CCCCCOC(C)=O
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ir: 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 17 5 2 3 3 2 10 21 8 3 2 1 1 1 2 1 10 36 39 5 4 1 4 2 3 3 5 2 5 4 5 1 1 2 1 1 1 1 2 3 2 2 1 2 2 3 2 4 3 10 13 21 31 9 9 3 2 2 2 2 1 1 0 1 1 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 1 2 16 16 5 4 3 1 2 3 3 10 15 7 6 10 5 14 13 14 10 8 8 12 41 11 11 5 7 14 9 6 2 9 9 6 2 1 2 3 5 6 6 1 2 9 100 9 9 1 1 3 2 0 0 1 1 0 1 4 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 2 3 4 5 3 3 8 8 7 6 7 6 8 9 15 29 38 30 12 10 4 2 1 2 2 1 0 1 1 1 1 1 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; 1HNMR: 55 53 m 2H | 41 41 t 2H J 58 | 21 20 m 4H | 21 20 s 3H | 17 16 m 2H | 16 15 m 2H | 14 13 m 4H | 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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CCOC(=O)/C=C/C[C@@H](C)CCC=C(C)C
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ir: 11 15 59 62 38 43 44 17 12 20 31 19 11 29 6 7 16 9 9 2 3 1 1 2 4 1 1 1 1 1 5 15 5 21 3 2 3 2 3 7 3 2 1 2 2 1 4 1 2 2 2 1 3 2 3 3 3 2 8 10 7 16 10 13 12 7 19 8 7 9 8 5 9 27 31 10 11 5 6 4 16 24 54 49 24 53 17 2 2 2 3 3 4 4 8 9 12 18 12 6 11 24 24 24 8 16 16 34 12 5 11 9 9 24 12 19 23 47 22 24 64 12 8 32 36 54 35 17 52 23 28 39 12 15 13 33 41 13 13 2 4 3 7 25 71 48 28 90 18 6 3 1 1 2 2 1 6 6 6 4 8 70 8 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 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 2 1 1 1 1 1 1 1 2 2 1 3 2 4 8 6 10 10 7 9 18 13 11 10 17 5 54 18 100 42 58 84 81 18 10 8 5 4 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 70 69 dtd 1H J 18 68 157 | 58 57 dt 1H J 13 159 | 51 50 m 1H | 42 41 q 2H J 61 | 23 22 dtd 1H J 13 68 151 | 21 19 m 3H | 17 16 hept 3H J 12 | 16 15 m 4H | 15 14 dtdd 1H J 9 69 77 125 | 13 12 m 4H | 9 9 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.
|
CS(=O)(=O)OCCCCc1ccsc1
|
ir: 5 2 3 2 1 6 3 2 5 2 1 0 1 1 1 0 1 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 7 1 0 1 1 1 1 5 2 5 7 5 1 1 5 2 1 0 2 1 2 1 1 3 13 2 2 1 1 0 1 1 1 1 12 10 4 1 7 100 10 4 2 0 1 3 1 0 1 1 1 1 1 7 41 9 2 1 1 1 3 5 2 1 4 7 20 9 2 1 1 0 0 0 0 0 0 0 1 2 2 1 2 2 3 5 3 5 5 1 1 1 1 0 1 0 1 1 3 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 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 1 0 1 1 0 0 0 1 7 30 8 9 5 4 7 19 21 2 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; 1HNMR: 72 72 dd 1H J 16 53 | 70 70 tt 1H J 8 17 | 69 69 ddt 1H J 9 17 53 | 41 40 t 2H J 65 | 30 30 s 2H | 26 26 tt 2H J 9 75 | 18 16 m 4H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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O=C(O)c1n[nH]c2c1CCCCC2
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ir: 2 2 2 2 2 1 1 1 2 2 2 2 3 2 2 3 2 4 7 5 8 38 100 41 4 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 5 8 12 10 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 9 7 8 3 4 2 2 2 1 1 2 2 2 4 2 2 1 1 2 2 1 1 2 2 3 9 47 2 2 3 3 2 1 2 2 2 2 2 3 2 1 2 2 1 1 2 2 2 1 2 4 6 0 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 1 1 1 2 4 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 2 2 2 2 1 1 1 2 1 1 2 3 19 14 11 2 1 1 1 2 1 1 2 2 1 1 1 2 2 12 15 5 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1; 1HNMR: 99 99 s 1H | 27 26 td 4H J 11 94 | 20 19 tt 2H J 74 93 | 19 18 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.
|
CC(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1
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ir: 1 4 5 2 4 8 4 1 0 2 2 1 2 3 2 3 7 1 4 4 1 3 6 4 7 15 13 10 11 4 8 5 14 17 23 46 85 53 66 29 14 6 17 11 19 18 21 50 10 11 4 4 5 39 100 87 15 9 4 5 9 7 14 5 11 31 55 40 12 86 96 8 2 5 2 1 3 2 3 2 2 4 5 2 3 6 2 2 6 17 14 2 5 18 4 3 4 3 2 1 2 4 5 15 11 14 15 28 17 3 1 2 2 1 1 3 2 3 4 19 10 4 12 25 16 30 27 10 3 3 1 2 2 2 1 5 5 5 14 71 7 8 32 30 30 89 26 18 55 11 58 78 74 13 11 4 3 1 2 4 3 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 1 0 0 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 2 3 1 1 1 1 1 1 2 3 0 6 57 5 8 30 34 35 73 98 22 24 26 12 6 5 3 4 2 2 2 2 2 2 2 2 2 10 20 14 13 45 70 50 12 10 3 4 6 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 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 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 d 1H J 19 | 83 82 dd 1H J 19 78 | 72 71 m 1H | 70 69 dd 1H J 22 86 | 69 69 d 1H J 21 | 68 67 d 1H J 84 | 59 59 s 2H | 32 31 dtd 1H J 7 66 133 | 17 16 m 2H | 14 14 m 2H | 14 13 d 7H 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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NC(=O)C1(C(N)=O)CCCCC1
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ir: 5 3 3 4 1 1 1 1 1 2 1 6 7 7 11 8 28 14 28 16 5 13 19 8 8 3 5 4 3 36 35 11 15 15 14 31 65 47 39 26 6 8 5 6 1 1 1 2 1 1 0 1 1 1 1 2 2 1 1 1 1 2 1 0 2 1 1 1 1 2 1 1 1 3 2 2 2 2 1 6 3 5 3 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 3 3 3 23 16 21 5 6 5 4 6 3 8 4 4 2 3 2 2 1 2 2 3 1 1 2 2 1 1 1 1 1 1 1 4 7 6 6 5 9 12 1 2 2 1 2 3 3 48 100 27 64 5 4 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 0 1 1 1 1 1 1 2 3 3 2 2 2 2 3 9 3 5 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 49 14 35 18 2 1 1 1 1 1 2 9 7 54 54 28 37 9 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 s 3H | 21 20 m 4H | 16 16 tt 4H J 54 63 | 15 14 m 2H
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You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
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