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DeerEyeRain
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CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(F)c(Cl)c1Cl
ir: 6 12 4 2 2 2 3 3 3 8 5 3 3 1 1 3 1 1 3 1 1 1 0 1 2 2 1 1 1 1 1 3 1 0 1 1 1 2 1 1 5 3 1 1 1 0 0 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 6 3 1 1 1 3 3 7 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 1 2 1 2 2 1 1 0 1 2 1 1 4 4 1 2 2 13 11 9 4 12 4 4 5 2 1 1 1 4 1 1 1 1 1 2 8 0 5 100 29 5 2 2 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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 1 1 1 1 1 0 1 1 1 1 1 4 4 5 2 6 6 1 1 2 12 2 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 77 77 dd 1H J 48 123 | 52 51 s 1H | 43 41 m 4H | 13 12 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(C#CCCCO)cc1
ir: 18 9 16 14 18 10 13 15 4 25 49 12 0 36 8 7 4 9 8 6 4 5 6 4 4 6 6 5 11 17 9 8 5 6 8 13 15 7 8 6 7 7 6 13 6 8 5 6 7 11 12 8 8 9 13 17 30 37 8 5 9 8 7 8 23 59 19 12 6 10 6 5 7 7 7 6 7 7 7 8 8 16 89 28 73 79 10 39 25 66 69 17 18 15 6 6 15 19 20 17 7 7 5 6 7 8 34 16 10 6 7 7 11 7 4 6 8 12 14 15 25 24 12 11 24 13 8 6 7 5 5 12 11 4 4 5 5 4 4 5 6 5 5 6 5 13 50 41 9 10 7 8 8 13 5 5 5 4 5 8 39 4 5 6 5 3 5 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 4 3 5 5 5 15 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 3 4 5 5 3 4 5 5 3 4 5 5 4 4 6 5 4 4 5 5 3 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 5 6 6 5 6 6 6 9 8 7 7 9 11 7 13 10 8 6 8 14 28 13 20 58 84 18 18 19 11 11 20 100 85 43 26 13 7 8 9 6 9 8 9 5 6 7 7 5 5 6 7 10 5 7 6 5 5 6 6 4 5 6 6 4 4 6 5 3 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 78 78 m 2H | 76 76 m 2H | 37 36 td 2H J 47 56 | 33 32 s 2H | 28 28 t 1H J 48 | 25 25 t 2H J 61 | 18 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cccc(-c2cnc(N3CCC(C(=O)O)CC3)nc2)c1)C(=O)CNC(=O)OC(C)(C)C
ir: 1 5 3 8 10 5 8 7 5 6 8 10 8 5 10 8 11 7 11 18 37 46 45 11 12 8 4 3 12 10 10 54 18 11 14 9 22 53 7 4 8 4 2 2 2 0 2 2 9 5 1 0 2 2 2 1 3 6 1 1 2 8 3 2 2 2 2 3 2 3 2 3 2 8 6 9 14 24 1 25 8 6 5 5 6 6 5 4 4 3 2 5 3 2 2 5 3 3 3 9 4 2 3 2 1 4 5 2 2 3 5 13 11 8 2 4 3 8 9 11 7 8 7 18 9 10 30 27 8 13 16 13 20 17 11 4 4 8 6 18 14 8 8 10 5 58 100 26 8 37 10 9 28 4 14 1 2 6 7 3 1 1 1 6 13 3 2 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 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 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 1 1 1 0 1 2 1 1 2 2 7 2 2 2 3 3 3 5 19 17 12 4 22 9 6 1 1 1 1 1 1 1 3 1 1 1 2 1 0 0 1 1 1 1 2 4 6 22 20 4 3 2 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 2H | 76 75 m 2H | 75 74 t 1H J 79 | 74 73 ddt 1H J 11 21 81 | 57 56 t 1H J 56 | 45 44 d 2H J 9 | 41 40 d 2H J 55 | 38 37 ddd 2H J 68 94 155 | 35 34 ddd 2H J 68 95 154 | 29 29 s 3H | 26 25 p 1H J 57 | 24 23 dddd 2H J 57 68 95 125 | 22 21 dddd 2H J 58 68 95 125 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCNCC2)c2cc(Cl)ccc21
ir: 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 2 6 1 2 2 2 1 3 3 2 1 1 2 2 1 0 1 1 0 0 1 1 0 0 2 2 0 1 1 2 2 2 2 2 4 13 2 3 12 5 3 6 4 1 2 1 2 6 1 1 0 1 3 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 3 1 1 1 1 1 0 1 2 1 0 0 1 1 1 1 1 2 5 4 6 11 20 3 3 1 0 2 4 4 1 2 1 4 5 2 2 2 2 1 1 2 1 2 3 1 1 1 1 3 7 1 2 8 7 9 1 2 2 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 1 1 1 1 1 1 1 1 2 2 0 6 15 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 100 5 1 2 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 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; 1HNMR: 75 74 m 2H | 74 74 m 2H | 73 72 m 3H | 37 37 s 2H | 35 35 m 4H | 32 31 t 2H J 75 | 29 29 m 4H | 27 26 t 2H J 74 | 22 21 p 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OC12CCC(CO)(CC1)C2)c1cc(F)cc(F)c1
ir: 32 18 32 5 5 3 1 6 4 8 4 6 2 2 13 3 4 5 15 15 12 3 2 1 1 1 1 3 1 8 8 7 1 1 1 1 1 8 4 2 2 6 3 0 8 2 1 1 4 4 14 22 5 5 2 1 1 1 8 10 3 1 5 5 4 6 37 100 13 19 5 4 3 3 2 3 5 4 2 6 14 9 8 46 48 53 45 44 67 33 31 27 11 12 7 8 13 9 2 2 4 4 4 2 1 6 6 2 1 2 3 2 2 3 21 7 0 3 89 11 4 8 10 11 5 16 73 21 10 4 2 1 1 2 3 3 4 1 0 1 1 0 1 3 5 48 75 10 1 3 2 7 8 3 1 0 1 1 4 7 5 10 2 0 0 1 1 0 1 1 0 0 1 1 0 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 1 0 1 1 0 1 1 1 0 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 1 1 1 0 1 1 1 0 1 1 2 1 4 13 8 7 3 2 3 5 2 14 27 21 34 80 18 9 3 5 6 3 26 11 17 1 1 1 1 1 1 2 2 1 1 1 0 0 1 1 0 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 ddd 2H J 11 23 115 | 71 70 tt 1H J 22 121 | 36 35 d 2H J 53 | 28 27 t 1H J 53 | 20 19 m 2H | 19 18 ddd 2H J 33 51 139 | 18 17 ddd 2H J 31 51 133 | 17 16 ddd 2H J 31 51 139 | 16 15 ddd 2H J 32 50 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(n1)c(C=O)c1n2C(=O)c2ccccc2-1
ir: 5 1 1 15 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 3 8 0 3 2 0 1 7 11 100 6 1 3 2 27 13 4 17 11 5 12 2 1 2 2 2 2 1 2 3 41 13 4 0 1 1 1 3 2 2 13 14 2 1 2 14 1 3 4 3 2 4 1 1 1 1 1 1 1 2 1 1 2 3 12 9 2 2 1 1 1 1 1 1 1 11 1 1 2 10 2 46 3 1 2 1 1 11 2 1 1 1 1 1 2 1 1 1 1 1 1 10 1 2 49 2 1 6 2 2 3 8 27 4 66 49 5 1 1 1 1 1 1 6 1 0 32 20 30 2 5 4 11 70 11 46 1 6 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 1 1 1 2 1 1 1 2 3 3 4 7 51 30 5 11 12 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dd 1H J 15 74 | 83 83 dd 1H J 12 70 | 82 82 d 1H J 79 | 79 78 ddd 1H J 13 69 81 | 74 73 td 1H J 12 74 | 70 69 d 1H J 77 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl
ir: 4 7 4 15 1 9 5 3 9 8 7 3 3 4 3 5 2 6 1 10 4 1 1 1 3 1 3 2 2 3 4 6 2 9 10 9 2 4 3 9 18 7 13 10 8 2 2 6 2 2 2 1 4 6 14 21 7 2 1 1 1 3 1 2 4 30 4 7 10 3 4 2 7 1 3 3 1 2 3 13 2 3 3 3 50 6 13 3 20 17 3 14 3 2 2 3 4 4 3 3 1 7 11 10 2 4 4 4 0 1 2 1 0 1 2 2 0 11 8 2 3 2 6 13 7 2 4 5 3 3 4 9 2 2 3 18 11 1 2 0 0 2 26 13 7 18 5 6 19 5 7 5 5 9 22 8 3 15 2 0 1 2 1 5 1 1 1 0 1 1 0 0 0 1 0 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 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 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 2 12 7 16 100 17 4 2 2 2 1 2 5 5 1 1 1 1 0 1 1 1 1 1 2 1 2 7 12 4 8 4 2 1 1 1 1 0 0 1 1 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 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 dd 1H J 16 41 | 81 80 m 2H | 80 80 d 1H J 22 | 79 78 dd 1H J 22 95 | 78 76 m 3H | 75 75 d 1H J 80 | 74 73 m 6H | 72 72 ddd 1H J 18 40 68 | 52 51 m 1H | 44 44 d 1H J 66 | 37 36 m 1H | 35 34 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C=O)cc3)nc12
ir: 2 1 2 1 1 2 3 3 0 2 2 2 0 2 4 7 4 3 2 20 3 3 1 4 1 13 2 1 1 5 13 2 3 41 19 10 3 7 3 2 2 3 6 2 1 2 4 26 12 2 2 4 8 18 10 2 2 2 1 1 1 2 8 1 2 2 1 4 6 3 4 1 2 2 1 1 3 5 2 1 1 1 2 1 1 2 2 1 1 2 19 3 58 5 2 2 7 3 3 1 3 4 6 9 3 3 1 1 2 1 0 1 2 1 0 1 2 2 1 2 33 3 3 7 13 5 3 6 84 3 1 2 3 5 15 2 2 2 11 17 13 2 1 8 39 7 15 5 2 3 2 8 16 2 2 4 19 100 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 4 0 1 1 1 1 1 1 1 1 1 2 1 2 5 8 26 44 30 8 12 18 4 4 1 0 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 100 s 1H | 88 87 t 1H J 20 | 86 86 s 1H | 79 79 m 2H | 78 78 m 2H | 75 74 m 1H | 73 72 m 2H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1C(=O)C(CC(=O)O)SC1c1ccccc1
ir: 1 0 1 1 0 4 2 2 4 5 5 9 6 4 6 4 4 6 6 21 23 11 5 5 4 3 2 1 5 3 2 2 4 0 1 1 10 5 3 17 2 1 3 4 9 4 1 0 1 1 1 1 1 1 1 1 2 3 1 0 0 1 1 1 1 1 1 0 1 3 0 0 2 1 4 1 3 7 10 42 6 3 3 3 7 9 1 1 5 5 3 2 1 1 1 1 5 1 2 1 1 1 2 3 1 2 2 4 4 1 1 1 1 0 2 3 1 3 5 3 6 2 1 3 11 8 1 2 3 2 5 3 2 6 0 5 2 1 0 2 3 1 9 30 3 3 3 1 43 3 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 2 1 1 2 5 1 4 4 15 6 5 20 9 6 1 0 2 1 1 1 4 100 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 74 m 5H | 60 60 s 1H | 43 42 t 1H J 62 | 41 40 hept 1H J 66 | 31 30 dd 1H J 62 158 | 29 28 dd 1H J 62 156 | 14 13 d 3H J 66 | 13 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCn1c(=O)cnc2ncc(Br)cc21
ir: 13 34 8 8 17 17 10 9 7 4 6 7 9 10 7 26 21 16 31 25 19 38 7 44 11 10 4 20 7 2 3 8 11 50 18 33 15 45 3 6 5 7 5 9 6 96 9 70 14 9 7 5 8 40 10 26 15 5 7 8 8 5 6 7 7 8 22 19 25 25 6 8 5 5 5 5 3 2 4 4 3 3 4 4 3 5 10 6 3 4 5 6 20 22 22 21 11 13 75 19 88 11 7 18 59 6 8 5 4 5 14 15 6 12 9 4 4 13 11 43 9 26 12 14 12 7 4 4 4 5 4 5 6 4 2 6 9 1 30 85 100 34 14 2 1 9 9 11 18 56 13 55 16 36 37 42 3 8 13 17 7 6 5 2 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 5 6 5 4 6 10 5 5 4 6 4 4 5 6 50 5 19 21 20 14 15 7 8 1 4 6 3 1 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 1; 1HNMR: 98 98 t 1H J 44 | 85 85 d 1H J 16 | 84 84 d 1H J 16 | 81 80 s 1H | 49 48 d 2H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(N2CCOCC2)c1N
ir: 3 3 4 6 3 3 6 9 11 4 4 1 3 4 4 6 4 6 5 5 6 2 1 1 1 1 1 2 2 2 4 8 2 1 1 1 2 1 18 14 2 3 3 1 2 2 5 12 3 3 11 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 8 2 1 0 1 2 1 0 1 1 0 1 1 2 15 14 1 1 1 1 2 1 1 3 4 4 7 3 2 1 1 2 1 3 14 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 14 1 1 1 1 0 0 1 1 3 1 3 21 19 14 3 3 7 1 2 4 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 0 2 4 3 2 6 13 10 3 1 0 1 1 1 0 0 0 0 0 0 0 0 1 1 6 2 2 1 0 0 0 0 0 0 1 0 2 100 4 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: 69 68 m 2H | 67 67 dd 1H J 19 63 | 46 46 s 2H | 38 38 m 4H | 34 33 m 4H | 23 22 d 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1ncc2c(CO)cccc21
ir: 3 2 2 2 6 7 2 3 2 2 1 1 3 7 5 4 5 6 2 1 2 4 1 1 1 1 2 5 2 1 1 1 3 5 2 1 1 1 1 1 2 2 1 1 2 3 11 24 9 2 1 2 1 2 1 2 1 1 2 2 2 2 2 2 2 1 2 2 1 2 1 1 2 2 4 5 3 2 1 3 6 6 3 5 7 18 27 38 7 4 6 8 3 4 7 2 3 6 9 4 1 1 2 2 2 2 2 2 2 2 4 2 0 3 4 2 2 3 3 2 2 2 2 2 2 4 5 5 2 2 2 1 1 9 5 2 4 1 1 2 2 9 1 1 1 8 3 1 1 1 1 1 1 2 2 1 1 14 2 0 2 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 8 5 2 3 3 2 2 2 9 11 2 6 25 25 2 3 4 1 1 14 100 41 7 1 0 2 2 1 0 1 1 1 1 1 2 2 2 2 2 2 2 4 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 74 73 m 1H | 73 72 m 2H | 49 49 dd 2H J 6 57 | 41 41 m 3H | 22 21 dtt 1H J 46 70 141 | 10 10 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(-c2ccnc3[nH]cc(C#N)c23)c1
ir: 1 1 0 1 3 2 0 0 1 1 1 1 1 2 1 2 1 0 0 3 1 0 0 1 1 0 3 100 11 5 7 1 8 1 1 8 1 0 0 1 1 1 4 1 2 5 15 11 4 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 3 4 3 1 8 10 4 5 6 2 1 1 1 1 1 0 1 6 1 2 2 1 0 0 1 5 1 1 1 1 5 4 3 1 0 0 1 1 1 2 4 1 0 0 0 1 1 5 3 2 3 1 1 1 0 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 0 2 8 23 14 1 1 5 0 1 1 0 1 1 3 12 3 3 11 5 3 7 1 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 4 1 1 5 43 10 14 11 10 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 2 4 22 11 10 2 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 d 1H J 68 | 85 85 d 1H J 44 | 77 77 d 1H J 68 | 76 75 m 2H | 75 75 dt 1H J 18 79 | 75 74 t 1H J 75 | 72 72 dddd 1H J 9 18 28 79 | 28 27 qt 2H J 9 72 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(O)nc1)N1CCOc2ccncc21
ir: 12 14 9 16 3 16 30 20 16 12 11 7 4 3 6 6 4 5 9 5 3 6 16 10 6 7 9 4 3 4 3 4 5 7 6 11 18 16 15 10 16 16 5 4 4 9 6 2 3 3 4 3 4 23 20 10 8 5 4 2 3 4 3 1 5 7 10 8 4 12 14 28 51 77 15 12 5 2 6 3 3 3 3 2 4 2 1 2 3 5 7 3 4 2 1 2 6 11 2 3 3 2 0 1 2 1 1 1 2 2 8 5 7 11 17 19 2 2 3 5 6 12 21 4 4 3 4 6 18 16 12 12 10 3 1 5 23 14 5 4 3 4 8 9 3 4 8 11 8 11 11 6 6 10 6 6 4 3 2 5 26 9 11 6 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 0 1 4 2 4 4 9 5 23 18 9 5 4 3 6 4 0 100 54 44 7 3 2 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 85 d 1H J 14 | 83 83 d 1H J 18 | 83 83 dd 1H J 13 51 | 80 80 dd 1H J 18 88 | 69 69 d 1H J 53 | 67 67 d 1H J 88 | 44 43 dd 2H J 47 56 | 42 41 dd 2H J 47 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)coc12
ir: 25 12 6 7 6 5 3 3 1 3 7 4 4 3 2 2 1 1 4 6 12 2 1 2 1 0 1 2 3 7 5 4 6 9 5 2 3 3 4 5 18 3 35 19 6 16 10 8 7 3 5 3 4 5 10 3 11 0 1 5 3 0 3 3 3 5 4 8 6 10 8 8 3 1 4 3 2 2 7 2 2 13 5 8 7 26 13 5 15 7 6 27 9 10 2 3 3 15 7 3 1 2 2 6 4 3 6 4 6 23 42 10 8 13 7 11 12 11 27 19 8 10 7 14 5 7 1 2 3 3 3 4 2 1 2 3 25 8 2 5 4 10 7 16 34 10 5 7 37 1 2 3 15 3 1 0 0 1 27 3 6 0 0 0 0 0 1 1 9 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 1 2 3 1 2 13 16 9 7 7 8 11 9 14 100 61 38 34 34 34 9 4 6 3 1 4 6 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 76 75 d 1H J 84 | 75 74 m 4H | 74 73 m 1H | 73 73 dt 1H J 9 19 | 72 72 d 1H J 83 | 72 71 ddt 1H J 9 21 82 | 67 67 d 1H J 82 | 41 41 t 2H J 57 | 36 36 t 2H J 9 | 31 31 t 2H J 66 | 29 29 t 2H J 64 | 20 19 m 2H | 16 15 qt 2H J 63 74 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(N2CCC(c3ccc(F)cc3)CC2)ncn2c(CC(C)(C)C)nnc12
ir: 25 21 20 13 19 31 16 7 8 7 13 15 32 33 19 7 13 5 8 7 6 5 9 5 10 9 5 7 6 4 14 14 33 29 12 17 11 7 6 4 3 3 3 4 4 7 4 4 8 7 5 7 7 23 95 84 23 6 8 14 16 12 24 11 6 10 5 5 9 19 5 4 3 3 4 5 5 7 5 6 22 41 31 17 23 9 9 17 14 9 20 90 6 12 8 15 34 8 6 9 6 22 22 17 13 17 27 12 11 11 22 91 8 5 8 9 9 15 22 17 22 20 23 14 5 48 6 22 19 7 21 22 21 31 73 15 10 13 11 64 11 8 4 7 21 7 10 37 43 10 10 2 14 48 2 7 5 0 3 24 100 14 4 1 3 4 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 3 4 3 3 3 5 7 7 5 6 6 11 9 7 8 7 7 15 6 13 68 28 42 93 49 7 9 8 8 5 5 4 2 1 3 3 2 2 2 3 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 s 1H | 72 72 m 2H | 71 70 ddt 2H J 17 86 100 | 40 40 m 2H | 40 40 s 4H | 37 37 ddd 2H J 54 82 114 | 28 27 m 1H | 28 28 s 2H | 23 22 ddt 2H J 55 82 130 | 20 19 ddt 2H J 55 82 130 | 10 10 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(nc1-c1cc3nc(O)cc(O)n3n1)CCCO2
ir: 37 8 8 9 23 20 10 12 5 11 21 18 14 11 7 6 25 23 20 16 6 9 13 16 15 23 18 6 5 9 9 7 10 32 21 9 11 8 6 6 7 6 6 6 6 6 10 7 6 8 6 7 7 9 8 7 7 10 6 9 9 7 7 9 9 10 20 9 9 14 24 15 8 10 13 6 9 19 100 20 12 6 29 8 7 16 9 16 6 8 17 12 6 6 5 7 10 13 10 9 8 7 6 11 6 6 8 9 6 7 9 13 7 8 7 9 11 18 10 12 6 10 18 51 9 18 5 8 6 6 7 9 6 9 9 4 67 7 7 4 3 77 3 8 7 6 6 18 8 10 6 5 13 7 6 2 6 33 3 9 6 3 5 7 6 4 5 6 5 5 6 6 5 4 6 6 5 5 6 6 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 6 5 5 6 5 6 6 5 5 6 6 6 6 5 6 8 8 6 6 6 6 5 5 5 5 6 5 5 6 6 6 7 6 7 9 6 7 8 6 6 8 11 15 25 9 16 10 4 6 11 7 0 9 37 52 74 9 1 7 9 4 3 6 7 4 4 6 6 4 4 6 6 4 5 6 6 4 5 6 6 4 5 6 5 4 5 6 5 4 5 6 6 6 6 6 6 5 5 6 5 4 5 6 5 6 5 6 5 5 5 6 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 6 5 5 5 6; 1HNMR: 71 71 s 1H | 58 58 s 1H | 44 43 m 3H | 29 28 m 3H | 28 28 s 3H | 23 22 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2
ir: 8 4 1 5 17 20 5 11 16 12 6 9 16 7 9 12 12 20 10 20 12 14 40 8 10 4 1 10 17 6 18 46 11 3 4 24 31 70 47 7 7 8 15 92 7 7 7 4 5 6 26 16 9 2 15 18 18 4 5 5 8 3 5 6 4 4 5 5 19 25 12 10 16 14 9 10 5 5 6 6 3 2 6 6 3 3 6 5 3 4 7 5 4 8 6 5 3 5 5 12 8 4 7 5 2 9 16 93 26 8 17 8 7 13 10 5 1 7 15 33 50 20 10 17 10 6 4 69 11 9 9 7 22 20 11 9 49 11 9 17 35 42 10 47 42 9 14 10 36 11 45 0 3 12 19 29 100 11 9 11 7 5 5 2 61 8 3 4 4 4 4 3 3 4 4 3 4 5 4 3 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 4 6 4 3 5 8 6 3 4 6 5 8 8 12 32 30 17 81 63 4 9 9 9 2 6 6 5 3 4 6 4 3 4 6 4 2 11 12 6 3 27 89 53 37 25 6 3 3 8 7 4 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 3 3 5 4 2 3 5 4 2; 1HNMR: 97 97 s 1H | 83 83 d 1H J 21 | 81 80 dd 1H J 21 85 | 76 75 m 3H | 73 73 td 1H J 14 84 | 73 72 ddd 1H J 14 79 102 | 44 44 s 2H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(Cl)c(-c3ccc(OC(C)C)cc3)nc2c1
ir: 2 2 4 2 2 1 3 2 2 4 3 2 2 1 1 1 2 21 29 4 5 2 4 2 2 3 1 1 1 3 1 0 3 2 5 9 3 5 1 0 0 1 1 0 1 4 3 1 5 5 1 2 1 3 13 41 100 1 3 4 9 0 3 3 9 0 4 9 22 18 2 2 2 1 3 2 1 3 4 4 2 2 2 2 1 2 28 2 3 3 1 3 1 1 1 5 1 1 3 13 6 2 2 1 4 3 50 4 2 2 1 1 2 1 1 2 4 5 4 20 5 5 2 1 3 3 2 4 2 3 3 1 1 0 0 1 1 2 5 1 0 0 7 1 1 0 2 2 14 6 10 6 31 5 2 13 12 2 0 1 1 0 15 1 1 5 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 0 1 1 0 0 1 1 0 2 5 3 7 12 14 18 53 82 7 6 3 2 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 0 0 0 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: 79 79 dd 3H J 18 88 | 73 73 d 1H J 22 | 72 72 dd 1H J 22 88 | 71 70 m 2H | 47 47 p 1H J 57 | 38 38 s 2H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCN(NC(=O)[C@H](CC(C)C)[C@H](C/C=C/c1ccccc1)C(=O)NO)S(C)(=O)=O
ir: 20 5 6 2 3 7 5 11 7 10 6 4 5 4 2 3 2 3 5 3 3 7 5 3 3 8 7 8 9 5 12 13 5 6 9 6 3 14 13 6 31 36 38 31 12 11 9 4 8 7 8 5 4 6 2 6 3 6 6 3 4 2 2 2 2 3 3 6 10 44 6 12 6 8 7 7 20 11 4 6 4 3 6 6 16 10 11 17 42 12 8 5 7 15 16 21 15 12 4 9 21 41 8 26 11 15 15 13 8 7 6 7 5 4 3 2 2 4 7 7 11 16 9 7 8 4 2 4 5 12 1 4 3 3 4 11 8 6 12 8 7 4 14 25 7 28 24 8 10 41 100 5 5 3 2 1 1 1 1 1 2 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 2 8 3 3 5 6 5 5 5 4 6 13 11 12 44 32 16 34 100 22 13 14 12 6 5 12 25 13 10 3 8 6 6 2 2 1 3 2 2 4 7 16 76 44 6 3 1 3 4 2 1 2 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 90 d 1H J 35 | 90 90 d 1H J 33 | 83 83 s 1H | 74 72 m 5H | 65 65 dt 1H J 10 149 | 61 60 dtd 1H J 17 70 156 | 58 57 m 1H | 52 51 m 1H | 50 49 ddt 1H J 13 24 172 | 31 30 t 2H J 78 | 30 29 m 2H | 28 27 s 2H | 26 25 dtd 1H J 13 70 161 | 24 23 dtd 1H J 13 70 161 | 21 21 qt 2H J 14 78 | 18 16 m 4H | 15 14 ddd 1H J 73 82 141 | 10 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1n(O)c2ccccc2[n+]1[O-]
ir: 6 5 6 3 2 4 5 2 0 2 4 2 1 3 3 2 1 3 4 2 2 3 3 2 1 4 3 2 2 4 3 3 2 4 4 2 2 3 3 1 2 10 7 9 3 4 3 1 2 3 2 1 2 3 3 1 3 4 2 1 3 3 2 1 2 3 2 2 3 13 15 5 30 11 15 13 11 6 4 1 3 3 4 11 5 11 9 52 34 73 8 18 23 18 9 3 6 5 2 4 15 11 14 5 4 2 1 2 4 3 1 3 8 6 1 3 6 4 9 4 10 8 12 8 5 19 7 8 4 2 1 3 3 1 1 3 3 12 8 9 2 3 5 9 10 0 1 3 3 3 4 4 3 1 1 3 3 1 2 3 4 1 3 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 4 3 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 2 3 4 3 1 3 4 4 5 9 8 45 23 34 12 9 3 3 4 45 14 100 5 3 2 3 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 1 3 2 1 2 3 2 1 2 3; 1HNMR: 97 97 s 1H | 38 38 dd 1H J 16 61 | 31 30 dd 1H J 16 55 | 28 27 ddd 1H J 16 47 62 | 27 26 q 2H J 75 | 19 18 ddd 1H J 16 46 55 | 14 13 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1sc2c(c1C(N)=O)CCc1ccccc1-2
ir: 1 2 3 1 2 2 3 2 1 2 2 8 2 5 22 8 6 3 3 7 5 15 5 40 17 45 5 2 2 3 3 1 3 2 3 3 3 4 3 3 4 19 4 10 4 4 12 4 4 10 68 24 15 12 4 9 3 10 3 2 3 3 2 1 2 4 3 1 3 6 23 9 5 3 2 4 6 6 2 1 2 2 2 3 4 2 1 1 5 7 1 4 4 2 1 1 2 3 1 3 6 5 3 2 3 2 3 2 4 2 1 2 6 4 0 3 6 3 1 2 4 2 1 10 4 2 2 4 4 2 1 2 3 1 1 2 3 3 8 5 7 5 2 4 5 5 3 4 36 29 2 7 3 18 18 4 3 2 100 0 2 2 2 1 1 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 4 3 1 1 3 2 2 2 3 2 1 3 4 3 4 4 6 8 32 20 4 2 1 2 2 2 1 2 2 3 1 2 3 3 2 22 13 3 3 4 9 49 39 7 5 4 3 3 7 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 1H | 73 72 m 4H | 70 70 s 2H | 31 30 m 2H | 29 28 m 2H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(CO)cc(OC)c(OC)c2OC)c(CO)c1
ir: 10 21 9 4 9 5 7 5 12 17 7 5 12 7 8 23 4 11 7 6 4 5 3 6 11 10 4 3 4 2 2 3 4 4 5 4 3 3 2 4 3 2 1 3 3 2 3 3 2 1 2 5 5 18 20 9 9 7 3 8 5 4 7 9 9 8 10 10 13 21 4 5 6 5 6 4 1 3 4 5 4 2 6 8 8 12 19 32 26 87 100 92 17 16 15 20 22 4 4 4 2 2 0 2 2 3 3 3 2 1 0 1 1 2 1 1 1 1 3 3 3 2 3 7 5 3 4 4 2 1 1 1 1 0 0 1 4 3 3 1 1 0 1 1 1 1 3 2 7 4 1 2 3 4 3 0 1 1 1 23 21 3 3 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 1 0 0 1 0 1 0 0 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 0 1 0 1 1 2 1 1 2 2 3 2 1 1 1 2 4 2 4 9 5 13 32 31 4 6 5 13 29 19 14 33 19 3 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 1H | 69 68 m 3H | 45 44 ddd 4H J 9 58 140 | 39 38 d 6H J 31 | 38 38 t 1H J 57 | 38 38 s 3H | 38 37 s 2H | 37 36 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(Cc2ccccc2)C(=O)c2ccccc21
ir: 2 1 2 2 2 4 6 2 1 2 2 2 1 1 2 8 2 2 1 1 2 3 1 2 1 1 2 3 10 6 13 5 13 6 2 8 29 28 8 4 6 8 5 2 9 4 3 1 1 3 6 1 1 2 3 1 2 2 2 1 2 3 6 0 2 5 9 13 16 5 3 2 3 2 2 2 4 6 3 2 2 2 5 2 2 2 1 3 2 8 3 4 2 2 1 2 2 9 8 3 2 2 1 2 3 7 3 2 3 2 1 41 4 3 2 2 2 3 5 38 3 4 8 4 5 10 15 9 2 2 2 2 1 4 8 22 2 6 15 2 2 3 41 73 14 3 7 84 7 7 35 8 2 3 3 2 2 1 1 2 5 2 9 2 1 1 1 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 4 3 1 2 2 3 1 5 9 8 21 59 100 57 44 14 1 4 6 3 2 4 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 78 77 m 2H | 73 72 m 5H | 67 66 t 1H J 8 | 37 37 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CSC1c1cccnc1
ir: 4 4 7 10 15 7 5 4 4 4 4 4 3 4 4 4 4 7 18 23 10 6 6 18 11 4 7 5 4 5 9 7 12 35 20 6 6 6 4 6 10 14 9 4 14 13 4 4 5 7 11 0 13 5 5 8 26 6 4 4 4 5 5 6 9 9 6 5 6 8 17 5 6 5 5 7 6 6 7 5 4 5 5 5 4 4 5 6 6 4 8 10 5 4 3 4 6 6 3 3 4 3 3 3 4 4 3 4 4 3 5 17 22 5 3 16 17 12 14 8 12 24 34 12 12 8 54 8 5 4 4 7 8 6 3 4 5 4 8 10 7 3 3 5 6 1 0 100 47 7 5 7 6 9 10 3 5 8 15 20 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 4 3 3 5 9 7 4 5 4 5 6 6 6 5 17 7 8 15 36 6 5 5 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 87 86 td 1H J 6 18 | 85 85 dt 1H J 18 48 | 78 77 m 1H | 74 73 dd 1H J 48 76 | 62 61 dt 1H J 11 24 | 37 37 d 1H J 148 | 36 35 d 1H J 148 | 30 30 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(Cl)C=CCCCCCCCCCOc1ccc(Cl)cc1
ir: 2 4 2 2 1 1 2 2 1 3 9 9 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 7 4 3 4 7 15 16 22 15 5 4 3 1 2 2 2 2 3 3 3 7 10 13 28 32 10 1 2 1 1 4 2 2 2 5 7 8 4 10 6 2 2 3 1 1 1 1 1 1 1 2 2 1 2 7 12 6 3 9 7 4 3 6 3 4 4 100 5 3 2 4 4 7 29 18 11 5 10 7 5 5 2 3 3 3 8 7 10 17 8 5 10 6 7 4 4 4 2 3 3 3 2 2 3 8 7 9 15 22 8 4 4 3 8 7 53 18 3 2 3 4 15 5 2 3 6 29 3 3 2 2 1 2 1 1 1 1 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 7 13 4 5 5 3 4 3 1 3 18 41 42 57 69 19 17 6 1 5 5 2 0 2 3 2 0 2 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 69 69 m 2H | 60 58 m 2H | 40 40 t 2H J 63 | 22 21 tdd 2H J 15 48 71 | 18 17 tt 2H J 63 75 | 15 14 m 4H | 13 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(/C=C/C(=O)O)c(F)c1
ir: 1 2 2 2 1 2 3 1 7 2 2 2 2 2 2 1 2 3 3 2 1 5 100 9 6 1 0 2 3 1 2 2 3 1 1 3 2 1 2 2 2 1 1 3 2 1 1 2 2 1 2 2 2 2 4 3 2 1 2 2 2 1 2 2 2 1 2 2 5 2 2 2 1 1 2 2 2 4 7 6 3 4 5 2 1 1 2 2 4 3 2 2 1 1 2 2 3 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 3 7 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 5 3 2 2 2 1 2 2 1 22 2 1 3 2 1 2 3 2 1 1 2 2 2 1 2 2 1 2 2 2 3 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 4 5 3 19 3 1 2 3 1 0 2 5 6 59 4 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 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: 100 99 s 1H | 78 77 m 2H | 76 76 dd 1H J 22 93 | 75 75 dd 1H J 22 121 | 65 65 d 1H J 163
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Cc2cc(OC)c(OS(=O)(=O)C(F)(F)F)cc2N=C(N)C1
ir: 22 5 9 9 5 7 11 22 22 10 20 12 21 18 10 3 0 9 7 3 3 4 14 22 8 15 19 15 17 7 22 15 20 20 16 16 14 10 8 8 6 9 13 6 5 9 8 7 3 5 4 7 22 13 9 14 4 4 7 6 4 5 15 4 4 3 3 4 12 14 16 10 9 7 10 2 6 10 2 1 5 8 0 1 10 61 31 6 6 7 3 2 3 4 2 1 8 20 6 7 25 13 5 2 4 2 2 3 2 2 8 20 4 4 3 7 3 6 3 5 3 2 14 3 8 11 9 8 6 5 4 6 11 11 6 8 4 6 10 14 53 43 19 9 3 26 100 49 21 26 13 35 55 3 3 3 5 9 2 2 1 2 1 2 2 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 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 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 3 1 2 2 2 2 4 3 2 1 1 2 2 12 13 10 4 25 7 4 2 2 2 2 1 1 1 2 2 1 2 2 2 1 3 5 27 4 4 2 1 2 2 2 2 3 7 65 5 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 q 1H J 7 | 69 69 s 1H | 69 69 s 1H | 54 54 s 2H | 43 42 q 2H J 71 | 39 38 s 3H | 34 34 d 2H J 9 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2nc(C)c3c(Oc4cc(Cl)c(N)cc4C)ccnc32)cc1
ir: 6 19 18 29 4 12 7 14 9 10 4 7 5 7 3 2 4 1 2 6 4 2 2 3 5 2 1 3 2 2 2 2 2 2 0 4 6 5 11 40 2 3 4 5 5 5 9 13 10 2 4 2 4 2 7 6 5 1 2 2 2 4 4 4 2 6 4 15 18 9 5 4 7 2 7 3 2 3 7 1 2 6 6 17 4 1 3 4 3 1 1 1 4 5 1 1 5 6 10 6 8 6 2 1 1 1 4 1 1 1 1 1 2 4 4 5 6 9 3 3 2 3 7 3 1 3 3 2 1 2 2 1 0 1 1 2 2 2 5 1 1 1 1 1 1 2 3 13 10 8 11 3 12 6 21 28 84 17 28 60 5 5 35 6 2 2 0 1 1 1 0 0 0 1 1 0 0 1 0 1 0 0 0 0 1 0 0 0 1 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 0 1 0 1 1 1 2 1 1 2 2 2 2 1 1 1 2 3 4 4 10 5 10 100 13 12 3 3 1 2 1 1 1 1 1 1 2 1 1 1 1 17 27 2 1 1 1 1 1 1 1 3 9 14 72 14 3 3 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 42 | 73 72 dp 2H J 9 71 | 69 69 m 2H | 68 68 s 1H | 67 67 m 2H | 55 55 t 2H J 9 | 44 43 s 2H | 38 38 s 3H | 26 26 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC1c1ccc(Cl)cc1
ir: 3 4 1 2 3 2 4 23 9 27 4 8 3 3 6 10 29 9 2 3 4 6 2 2 2 2 2 3 2 2 4 3 4 5 2 3 2 1 1 2 2 3 4 3 6 4 5 4 6 10 11 12 6 24 51 13 17 34 5 6 5 2 2 8 8 1 4 3 5 11 2 10 2 1 1 2 1 1 1 2 1 1 3 3 1 2 14 3 2 3 10 6 4 24 22 6 8 4 2 7 13 7 3 2 2 2 1 2 2 4 6 5 6 25 33 10 5 9 6 11 29 5 10 10 7 6 4 4 3 2 1 2 2 1 1 3 2 1 2 3 4 3 7 43 100 14 19 73 34 10 8 0 19 7 3 1 2 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 1 2 1 1 2 2 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 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 3 3 11 8 4 4 4 8 6 9 7 25 38 36 90 73 26 20 15 25 7 3 3 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 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 m 4H | 35 35 tt 1H J 7 48 | 25 24 ddd 1H J 50 69 146 | 23 22 ddd 1H J 51 67 147 | 22 21 m 1H | 20 18 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC(=O)CC(CC)N1C(=O)OC(C)C
ir: 2 4 4 2 7 4 5 2 2 6 4 4 3 8 5 8 4 7 3 3 5 5 2 2 1 1 1 1 1 1 2 1 1 1 0 1 0 0 0 1 1 1 0 1 3 2 1 1 2 0 0 1 1 0 1 1 2 6 1 2 1 7 2 1 2 1 3 1 4 2 2 2 1 1 1 4 3 5 3 2 4 1 1 1 17 4 2 1 1 1 1 1 1 2 2 2 0 1 2 3 4 3 2 5 16 5 3 9 5 8 4 3 2 11 5 8 5 12 5 15 7 21 45 27 11 6 9 7 8 12 10 3 2 2 3 2 2 1 3 4 5 3 2 2 17 34 10 3 2 3 100 5 2 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 2 5 2 2 2 6 6 7 4 5 4 5 4 5 12 29 18 5 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 51 50 hept 1H J 60 | 40 39 ttq 2H J 15 62 79 | 29 28 dd 2H J 76 151 | 26 25 dd 2H J 76 151 | 18 17 dqd 2H J 63 74 121 | 16 15 dqd 2H J 62 74 123 | 13 13 dd 6H J 29 60 | 9 9 td 6H J 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=C(C(C)=O)C(=O)OCCC(C)C)cc(C(C)C)c1O
ir: 4 8 2 7 7 6 6 6 39 100 50 27 0 8 10 4 0 4 4 6 7 4 4 2 1 4 3 4 3 3 3 4 4 3 2 1 5 8 39 22 12 7 6 2 4 4 2 2 3 6 4 1 2 2 2 3 9 4 3 2 7 8 6 9 10 6 15 11 9 23 11 4 8 4 10 8 22 9 15 13 17 5 2 3 5 28 7 3 2 2 2 3 8 18 6 3 6 51 8 4 5 3 2 6 4 11 4 4 5 5 8 3 4 5 4 6 12 4 5 8 8 5 6 4 6 19 11 12 18 11 9 3 3 2 2 2 2 2 5 12 7 13 5 6 3 1 3 6 20 99 7 3 2 3 2 3 6 5 12 2 1 2 2 1 2 3 2 2 2 2 1 2 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 2 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 2 2 4 9 2 2 4 3 2 3 2 3 3 4 13 13 12 19 15 17 32 19 9 3 5 2 3 5 60 49 6 3 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 79 79 s 1H | 73 73 s 1H | 71 71 d 1H J 23 | 71 70 dd 1H J 9 22 | 42 41 t 2H J 68 | 39 38 s 3H | 33 32 pd 1H J 9 69 | 25 24 s 3H | 18 17 dp 1H J 66 132 | 16 15 q 2H J 67 | 12 12 d 7H J 68 | 9 9 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccccc2)cn1C
ir: 1 4 7 8 23 24 12 7 5 11 9 6 2 4 6 2 1 4 4 2 1 4 5 2 8 13 16 6 3 11 30 18 11 9 6 2 3 6 5 7 72 53 60 5 5 6 3 0 2 5 4 2 3 5 3 0 3 5 3 0 3 5 4 22 11 48 5 3 6 17 4 3 6 7 12 15 13 19 9 5 5 5 2 1 4 4 1 2 4 5 3 5 6 6 3 5 4 3 1 3 5 4 3 11 18 7 3 3 5 3 2 3 7 5 4 7 8 7 6 11 6 6 7 16 43 9 7 6 8 9 7 20 10 5 3 4 8 11 3 5 5 5 14 32 6 4 3 5 8 52 8 54 7 11 15 6 5 2 2 4 3 1 2 5 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 4 2 2 5 5 3 3 4 3 2 4 5 4 1 4 6 8 16 13 14 18 100 65 29 23 22 29 10 5 3 5 4 3 2 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 79 78 d 1H J 18 | 76 76 m 2H | 75 74 m 3H | 74 73 ddt 1H J 15 70 80 | 43 42 q 2H J 64 | 39 38 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(OC)C(C)C(NC(=O)OCc1ccccc1)C(=O)O
ir: 9 10 7 8 2 5 9 10 10 13 14 35 14 4 7 7 5 8 2 8 65 39 22 3 19 8 5 11 16 27 27 23 9 7 7 7 10 3 5 26 16 7 9 4 9 3 10 12 4 4 4 3 2 1 1 1 3 5 7 4 4 2 2 3 5 7 9 58 15 10 35 16 7 9 11 9 5 11 17 34 42 100 9 12 6 5 5 5 24 9 3 2 1 1 1 2 2 5 7 5 6 3 4 11 3 11 8 14 8 13 11 8 5 7 4 3 22 6 9 3 3 5 3 6 2 2 3 2 0 2 3 2 2 5 8 9 4 4 4 2 7 42 18 19 31 17 10 42 10 36 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 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 1 1 1 1 0 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 2 1 1 1 2 2 3 3 2 4 9 6 6 8 15 12 8 29 20 6 5 3 2 3 1 3 23 57 15 6 1 0 1 2 1 0 1 2 1 3 4 65 31 5 5 2 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 6H | 69 68 d 1H J 99 | 51 51 s 2H | 45 44 tq 1H J 15 97 | 37 36 d 5H J 108 | 26 25 ddq 1H J 77 97 115 | 13 12 dd 3H J 15 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1
ir: 1 1 1 2 1 1 1 1 2 2 1 1 0 0 2 4 3 5 9 2 1 1 1 0 4 3 3 3 2 2 2 2 1 2 2 3 6 3 1 1 2 4 2 0 1 1 1 3 3 1 1 4 7 2 5 10 15 3 3 5 1 1 0 2 6 2 3 2 2 5 4 11 13 2 1 1 2 1 0 1 1 0 0 0 6 5 0 1 4 1 1 100 3 2 1 1 0 1 2 3 2 1 21 6 5 12 3 7 4 6 19 5 2 3 3 4 4 5 5 3 2 6 3 7 7 8 3 6 5 3 2 7 9 1 4 2 5 2 1 0 0 1 8 1 1 0 0 1 1 0 1 4 4 23 2 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 2 3 40 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 4 4 3 2 1 6 2 3 2 1 4 4 2 8 13 33 17 18 32 11 46 30 3 2 1 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 0 0 0 0 0 0; 1HNMR: 81 81 s 1H | 78 78 m 2H | 69 68 m 2H | 58 57 q 1H J 13 | 39 38 m 4H | 32 32 m 4H | 24 24 s 2H | 24 24 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCOC(=O)C=Cc1ccccc1
ir: 0 2 3 2 0 3 4 4 2 3 7 2 1 2 4 4 2 8 11 3 1 3 3 1 2 4 4 2 4 4 10 12 9 6 6 4 9 31 11 6 19 13 12 13 23 27 39 14 16 8 6 7 4 5 10 4 10 10 5 5 7 6 4 1 3 2 5 2 13 29 15 45 18 48 10 16 13 8 5 3 4 29 25 13 7 3 6 31 9 4 0 1 4 5 2 2 4 3 1 4 4 7 7 18 5 3 12 21 8 8 0 5 7 3 2 2 5 3 3 9 8 11 16 7 9 3 4 4 5 8 14 24 68 62 64 28 18 11 2 4 9 3 2 8 21 16 13 6 3 1 4 18 8 3 2 4 7 11 4 3 2 1 6 25 3 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 4 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 2 2 1 1 3 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 3 2 1 1 2 2 1 2 3 3 2 3 5 4 1 3 3 3 4 3 3 5 6 17 12 28 27 58 11 9 3 3 4 2 1 4 8 4 10 10 19 29 36 15 12 9 7 8 73 100 46 4 3 5 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 1H | 76 75 ddt 2H J 16 45 64 | 74 73 m 3H | 63 63 d 1H J 161 | 42 41 t 2H J 60 | 30 29 m 2H | 22 21 t 2H J 64 | 19 19 p 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(C)(C)N2c3c(cccc31)C1CNCCC12
ir: 2 1 2 4 8 2 8 5 3 3 1 2 9 5 3 3 8 10 36 12 6 6 17 6 2 12 5 7 12 9 7 8 3 6 18 14 4 1 3 99 65 11 4 0 4 4 4 10 18 9 9 4 19 7 4 2 4 4 2 4 5 3 3 2 4 4 4 13 7 4 6 7 3 3 3 2 3 2 4 4 4 2 2 2 6 3 3 7 5 3 2 3 11 24 21 7 2 3 2 3 5 2 2 4 6 3 3 2 3 2 5 7 10 7 11 29 100 56 16 9 8 7 7 16 16 10 6 9 10 51 6 11 4 9 10 5 3 2 1 3 10 17 13 3 2 3 3 3 3 1 2 2 1 1 1 1 1 2 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 3 3 2 2 3 3 2 5 4 6 5 10 10 7 10 15 5 5 2 3 2 2 1 2 2 3 4 4 3 5 3 4 6 32 37 50 18 4 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 dt 1H J 9 89 | 70 69 dd 1H J 77 88 | 68 67 dd 1H J 11 77 | 39 38 q 1H J 45 | 37 37 d 1H J 110 | 36 36 d 1H J 112 | 34 33 ddd 1H J 25 52 124 | 32 31 ddd 1H J 21 28 49 | 31 30 m 2H | 30 30 s 3H | 29 28 dddd 1H J 24 43 49 132 | 27 26 tt 1H J 43 53 | 22 21 m 1H | 19 19 dddd 1H J 24 44 51 126 | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nccs1)c1ccccc1O
ir: 2 3 6 2 1 4 6 3 0 4 5 3 1 4 7 4 2 4 5 3 3 5 6 3 2 8 5 2 1 6 11 4 11 12 8 9 4 9 5 6 21 26 26 38 17 10 8 11 7 11 8 6 5 6 4 2 5 7 3 2 4 5 3 1 3 5 4 1 3 6 2 0 3 5 2 5 6 8 10 13 13 9 12 8 9 28 5 3 4 5 1 2 4 5 4 4 5 3 1 2 5 5 3 2 5 3 0 2 5 4 2 3 5 3 0 3 5 2 0 3 5 4 1 3 5 3 3 5 5 2 1 3 4 2 2 4 8 13 9 6 5 3 3 7 8 10 15 18 23 11 4 7 6 3 10 11 7 13 2 9 10 3 2 4 3 0 2 5 3 0 2 5 2 0 2 5 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 4 1 3 4 5 4 2 5 3 1 2 4 3 1 3 4 3 1 2 4 3 1 3 5 3 4 5 5 26 17 21 10 4 1 7 10 61 87 50 100 5 3 4 4 3 2 3 4 2 1 4 5 7 8 18 21 9 7 5 3 1 2 4 4 2 2 4 3 1 2 5 5 2 3 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 79 79 dd 1H J 16 79 | 75 75 d 1H J 44 | 74 74 td 1H J 15 81 | 73 73 d 1H J 44 | 70 69 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C[C@@H](C#CC#C[C@H](O)CCC)OC(C)=O
ir: 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 2 2 1 1 2 2 4 5 2 2 2 2 1 2 1 1 2 1 2 1 2 3 2 2 1 1 1 1 1 2 1 1 2 1 1 1 3 2 1 1 2 2 1 2 2 4 2 2 4 8 4 6 6 5 3 3 5 8 3 2 4 2 4 2 4 5 14 22 14 9 9 5 3 3 2 1 1 1 1 1 3 9 6 2 2 2 2 1 1 2 2 1 2 2 3 2 3 2 2 5 4 4 2 4 4 7 3 4 2 2 1 1 1 2 3 1 3 9 6 6 2 2 2 1 3 30 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 5 6 9 7 5 6 7 2 6 3 2 2 4 5 2 0 5 100 11 4 1 0 2 2 1 1 1 2 1 1 1 3 3 2 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 59 58 m 2H | 55 54 m 2H | 45 44 td 1H J 47 58 | 31 31 d 1H J 48 | 21 21 s 2H | 17 16 m 1H | 16 13 m 3H | 10 9 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(Cn2cnc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CN1Cc1ccccc1
ir: 7 6 8 23 11 16 5 16 10 20 15 23 12 4 3 3 2 2 3 3 3 7 6 10 7 23 12 1 2 2 4 9 1 4 8 6 3 8 16 66 20 10 13 3 3 6 5 10 17 0 32 9 10 20 96 5 3 6 6 8 4 7 12 26 20 32 18 25 50 9 13 15 16 4 11 8 11 15 78 17 4 10 37 7 7 2 3 14 22 29 11 36 7 7 4 6 2 18 48 24 22 42 19 9 7 9 7 3 9 8 39 7 10 10 32 14 9 44 19 14 13 8 5 5 4 5 7 8 10 30 18 21 13 12 11 100 22 1 1 3 4 4 13 27 41 23 15 5 5 3 51 14 7 7 17 10 1 1 1 1 1 1 1 0 1 2 2 0 0 1 1 0 1 1 1 1 0 0 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 2 9 4 7 6 4 6 6 8 3 5 37 32 34 64 78 90 49 14 19 5 2 17 4 4 2 2 1 1 1 1 1 0 1 0 0 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H | 80 80 t 1H J 8 | 80 79 dd 1H J 7 18 | 79 79 d 1H J 7 | 77 77 m 2H | 73 72 m 2H | 73 73 s 3H | 58 58 td 1H J 7 24 | 43 42 ddd 1H J 8 53 139 | 40 39 ddd 1H J 8 53 139 | 39 38 ddd 1H J 32 49 104 | 38 37 m 2H | 36 35 d 1H J 124 | 31 30 dd 1H J 33 104 | 29 28 qt 1H J 44 55 | 27 26 dd 1H J 33 104 | 24 23 dddd 1H J 23 55 80 147 | 21 20 dddd 1H J 23 54 79 147 | 20 19 ddtd 2H J 53 66 82 104 | 18 15 m 6H | 11 11 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(=O)[nH]n1
ir: 4 3 1 3 5 3 2 3 4 3 1 3 4 3 2 6 16 6 8 9 3 2 2 3 3 2 2 3 3 2 2 4 3 3 4 3 5 3 4 4 3 3 3 3 3 3 5 11 10 30 33 14 100 0 3 6 3 2 3 6 6 1 3 5 3 1 3 5 3 2 3 6 3 3 5 7 10 1 11 5 2 1 4 4 1 2 6 7 2 26 8 9 46 4 2 3 3 3 3 3 2 3 4 3 2 8 6 3 4 6 7 6 3 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 3 4 3 2 4 4 3 2 4 6 4 4 7 4 1 3 3 3 2 3 3 3 12 4 6 19 3 7 4 3 3 3 2 6 3 2 9 3 0 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 4 2 3 4 3 2 3 4 3 3 3 5 4 3 4 5 7 4 15 9 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 4 3 3 5 6 7 6 5 6 3 2 4 3 2 2 3 3 2 2 3 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 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 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 71 71 p 1H J 11 | 22 22 d 3H J 11 | 21 21 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C2CCC3(CC2)OCCO3)c(C)c1I
ir: 27 11 12 3 2 2 1 1 2 1 2 2 8 11 7 8 10 1 5 9 1 1 1 0 0 1 4 1 1 1 1 1 1 1 1 1 1 3 2 2 1 3 4 5 3 2 1 1 1 2 5 2 3 4 4 3 6 2 6 3 13 9 13 21 6 4 10 8 3 2 1 0 1 1 1 2 2 3 5 4 3 2 5 12 2 1 1 1 2 2 1 2 2 3 2 2 5 7 12 16 2 4 3 3 6 3 24 56 9 15 12 24 46 37 45 25 1 9 34 16 9 13 17 6 19 10 8 20 48 36 11 2 3 6 5 3 2 1 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 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 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 0 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 2 2 2 1 2 6 11 7 7 4 30 18 13 9 16 14 13 14 19 36 100 24 12 7 3 3 2 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1; 1HNMR: 45 45 p 1H J 33 | 39 39 s 3H | 24 24 s 3H | 23 23 s 3H | 21 20 m 3H | 19 18 m 3H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2n(c1-c1ccccc1)CCc1ccccc1C2O
ir: 4 6 5 4 3 4 6 6 6 4 5 4 5 5 4 5 4 4 4 3 4 5 5 4 4 4 5 6 7 8 7 6 11 11 6 5 4 6 7 7 24 100 46 53 8 0 7 8 8 4 5 5 3 3 5 11 10 4 5 7 5 2 4 5 4 4 8 10 12 8 7 8 5 5 6 6 9 5 8 7 4 3 6 4 10 13 16 43 37 5 6 9 4 5 6 5 4 4 5 7 3 3 4 3 4 4 6 5 6 6 4 4 5 5 6 7 8 8 6 11 11 14 19 12 6 7 5 9 4 6 6 4 3 6 15 8 18 15 11 9 5 14 22 13 7 9 9 3 45 49 5 9 5 8 4 4 3 3 3 6 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 5 7 8 6 10 5 7 13 8 10 12 23 20 71 41 54 57 44 12 5 5 3 8 11 6 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 75 74 m 2H | 74 73 m 4H | 73 72 dtd 2H J 18 75 198 | 71 71 ddt 1H J 8 19 78 | 63 62 m 1H | 43 42 m 2H | 41 40 d 1H J 55 | 31 30 m 2H | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cnn(C2CCCCO2)c1
ir: 1 14 24 13 5 16 26 12 2 17 23 10 4 17 26 21 9 21 34 52 28 22 24 14 7 21 21 6 7 20 24 15 36 24 21 13 8 19 17 5 11 20 16 9 11 21 16 5 11 21 17 10 13 30 18 14 15 28 24 12 31 35 25 28 50 54 30 8 18 32 19 11 22 23 11 10 35 35 25 13 23 20 7 6 18 19 8 11 17 53 36 14 26 19 7 11 20 15 8 11 25 38 29 43 69 47 0 15 32 21 6 19 41 33 9 29 28 14 3 14 21 11 6 18 27 38 44 21 23 16 5 18 22 10 7 17 19 8 5 17 18 7 6 21 22 10 68 100 24 14 26 38 17 5 10 19 16 6 10 20 14 27 13 22 13 2 10 21 12 1 12 22 11 1 12 21 10 2 13 20 10 3 14 19 9 4 14 19 8 5 15 18 8 5 15 17 7 6 16 16 6 7 17 16 6 8 17 15 5 8 18 14 4 9 18 14 4 10 19 13 3 10 20 12 3 11 20 12 2 12 20 11 3 12 20 10 3 13 19 10 4 13 18 9 5 14 17 8 6 15 17 8 7 15 17 7 7 16 16 6 8 17 15 6 9 17 15 6 9 19 15 7 10 21 19 7 14 23 16 6 21 31 21 8 19 24 12 3 16 89 74 58 15 20 19 10 18 19 10 6 13 17 9 6 14 16 9 7 14 16 8 7 15 15 7 8 16 15 7 8 16 14 6 9 16 14 6 9 17 13 5 10 17 13 5 10 18 12 5 11 18 12 4 11 18 11 5 12 18 10 5 13 17 10 6 13 17 9 6 13 16 9 7 14 16 9 7 14 15 8 8 15 15 8 8 15 14 7 9 16 14 7 9 16 13 6 10 17 13 6 10 17 12 5 11 17 12 5 11 18; 1HNMR: 99 99 s 1H | 80 79 s 1H | 79 79 s 1H | 58 57 m 1H | 39 38 ddd 1H J 33 49 104 | 37 37 ddd 1H J 32 49 104 | 24 23 dddd 1H J 24 55 80 147 | 21 19 m 2H | 18 17 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)[C@H]2CC[C@]1(C)c1[nH]n(-c3ccc(F)cc3F)c(=O)c12
ir: 5 7 9 6 8 17 7 8 8 16 21 21 6 8 17 9 3 3 3 6 9 12 7 5 5 3 3 3 2 4 2 2 8 10 3 6 9 6 8 5 2 14 18 6 1 2 6 1 2 2 1 2 2 0 6 22 11 11 2 11 3 2 1 1 2 4 7 8 9 3 3 3 1 1 0 1 1 4 6 1 2 2 2 1 9 4 5 2 2 2 4 5 6 3 6 25 10 3 4 2 2 1 0 1 1 2 0 1 36 10 4 3 1 14 50 30 26 10 9 11 9 7 4 3 4 2 3 3 4 5 1 1 2 2 11 21 17 1 1 2 1 1 5 4 53 7 5 38 24 10 16 5 17 6 3 21 69 2 2 1 1 7 2 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 3 1 1 2 2 2 3 4 1 1 3 3 7 7 19 7 23 85 21 0 1 3 2 1 1 1 1 1 1 1 1 1 2 2 1 1 8 8 15 12 16 16 16 20 40 100 39 15 4 5 2 2 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 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 0 0 0 1 0 0 0 1; 1HNMR: 78 78 dt 1H J 47 80 | 70 69 m 2H | 69 69 s 1H | 30 29 dd 1H J 40 60 | 20 18 m 2H | 18 17 ddd 1H J 59 77 134 | 17 16 dddd 1H J 40 58 75 131 | 11 11 s 3H | 10 9 d 5H J 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCCCc1cc2cc(C(=O)O)ccc2c(=O)n1-c1ccc(F)cc1
ir: 1 5 24 5 2 4 5 5 5 7 3 3 5 2 4 4 4 2 5 6 8 70 55 8 4 3 2 1 2 2 1 1 17 1 1 2 1 4 9 4 3 2 1 2 1 11 13 2 1 2 7 8 11 4 5 12 22 3 1 1 2 2 3 0 1 2 1 0 11 10 1 2 3 3 2 11 3 13 100 6 1 0 2 5 2 1 3 4 1 1 2 2 1 1 2 1 3 2 3 2 1 6 18 11 3 3 3 11 7 2 3 1 2 2 2 3 12 8 6 11 5 4 2 3 4 5 4 7 5 21 10 5 3 2 2 2 1 2 2 2 11 2 6 21 13 4 7 10 19 6 3 11 18 2 1 13 6 2 13 1 1 1 1 0 1 4 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 2 2 3 2 2 2 1 1 2 2 3 9 10 9 16 50 34 36 3 3 2 1 2 2 1 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 d 1H J 20 | 80 79 dd 1H J 21 85 | 79 78 d 1H J 86 | 74 74 m 2H | 72 71 m 2H | 62 62 t 1H J 14 | 30 30 td 2H J 13 69 | 24 23 t 2H J 75 | 18 16 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(COC2CCCCO2)occ1OCCCBr
ir: 6 4 6 3 2 10 22 8 2 12 11 11 5 6 7 3 3 4 6 4 4 26 7 4 4 16 9 5 2 4 4 2 2 5 4 4 6 9 9 10 8 13 21 64 8 14 8 5 26 15 6 5 5 10 14 19 55 27 10 14 8 17 30 42 50 64 39 100 30 20 6 10 13 12 37 58 40 22 5 43 62 31 6 3 5 7 3 6 5 9 9 8 16 9 8 8 13 9 4 4 8 10 4 6 8 14 8 8 9 12 11 10 27 18 9 17 13 11 5 14 7 15 16 10 10 4 0 10 14 12 13 10 8 5 2 4 5 2 2 4 6 8 31 9 5 3 3 4 6 4 92 18 6 3 4 8 4 2 3 5 6 6 6 6 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 3 5 2 1 3 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 4 5 5 3 7 9 17 18 16 10 4 4 4 9 13 33 41 28 11 6 14 65 96 22 8 4 5 4 4 4 3 3 3 3 3 2 4 4 3 3 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 73 72 s 1H | 63 62 t 1H J 14 | 48 47 t 1H J 33 | 47 46 dd 1H J 15 145 | 45 45 dd 1H J 14 144 | 43 42 t 2H J 58 | 39 38 m 1H | 36 35 m 1H | 35 34 t 2H J 52 | 23 22 m 2H | 18 17 m 2H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)CCCN1Cc1ccc2nc(N3CCN(C4CC4)CC3)sc2c1
ir: 10 6 2 10 15 9 4 25 18 21 18 4 3 9 5 4 3 3 3 12 4 2 3 3 2 3 10 23 3 3 3 1 1 5 5 2 4 40 10 5 30 20 23 11 20 6 7 3 3 11 4 2 10 7 14 9 21 26 10 4 6 4 4 9 11 14 28 34 21 5 4 4 3 3 2 1 3 15 4 6 16 100 26 64 62 30 11 19 8 99 22 8 3 10 13 9 27 19 32 25 71 17 5 10 13 3 2 3 4 3 2 22 14 6 8 2 13 21 59 16 17 11 15 11 12 8 6 11 13 10 18 17 12 11 5 4 3 5 24 29 5 5 4 4 44 6 2 2 2 5 48 10 8 3 1 2 2 1 1 3 3 9 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 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 2 1 1 2 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 5 8 25 5 5 4 2 3 12 11 17 30 13 15 89 31 4 9 9 10 7 3 1 2 3 1 0 2 2 1 1 2 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 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 0 1 1 1 1 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; 1HNMR: 78 77 dq 1H J 8 22 | 77 76 d 1H J 79 | 73 73 ddt 1H J 8 19 79 | 43 42 t 2H J 8 | 37 36 m 4H | 33 32 m 4H | 29 28 t 4H J 48 | 25 25 p 1H J 57 | 21 20 m 2H | 11 10 m 2H | 8 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)cc(F)c3C)c(F)c12
ir: 2 4 4 2 1 1 1 1 2 2 3 3 7 5 6 8 4 8 4 6 15 36 20 17 3 6 6 3 4 9 2 3 7 8 3 10 3 2 3 3 7 2 2 2 2 2 2 1 2 18 9 3 5 11 15 66 7 2 2 2 1 1 2 1 1 1 3 40 11 9 4 3 2 2 1 3 3 38 7 6 17 3 4 2 6 3 4 2 5 1 1 2 1 2 2 3 1 1 1 1 1 2 1 1 1 1 4 1 2 1 1 1 2 1 0 26 6 21 5 1 1 4 3 7 4 27 12 4 4 8 2 2 1 1 2 2 14 2 1 6 2 3 9 17 8 31 54 4 3 4 3 2 10 3 4 5 40 4 2 1 4 3 2 6 3 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 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 2 1 1 2 1 1 1 1 1 1 2 2 2 4 7 10 12 100 9 20 20 9 3 3 2 2 78 89 5 3 1 1 1 1 1 1 1 2 1 2 4 11 24 7 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 77 | 81 80 t 1H J 21 | 79 78 dd 1H J 48 78 | 78 77 m 3H | 77 76 q 1H J 49 | 72 71 m 2H | 29 29 d 3H J 49 | 25 25 d 3H J 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-n2nc3c4ccccc4n(Cc4ccc(-n5cccn5)cc4)nc-3c2=O)c1C
ir: 2 2 3 1 3 1 2 2 2 3 4 1 2 2 6 3 1 3 1 1 1 0 0 1 1 0 1 6 1 2 1 1 1 1 1 2 1 2 2 14 20 4 10 19 5 9 11 4 3 4 4 12 1 2 3 3 2 2 6 2 1 1 0 1 1 1 2 3 2 4 1 1 3 2 1 4 1 3 3 1 1 1 1 4 2 1 0 5 9 20 5 6 5 2 4 1 1 0 2 7 0 0 2 4 1 0 2 3 0 1 1 1 0 4 1 1 0 1 0 2 2 1 1 1 5 1 2 1 2 6 2 3 13 12 5 2 2 1 1 8 10 36 14 2 3 1 2 1 10 10 4 2 3 3 11 2 11 2 7 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 1 1 1 2 1 1 2 2 7 6 5 10 100 33 12 24 15 7 5 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 m 1H | 80 79 d 1H J 26 | 77 77 d 1H J 18 | 77 77 m 2H | 75 74 m 8H | 71 71 ddt 1H J 8 15 70 | 65 65 dd 1H J 18 26 | 50 50 d 2H J 9 | 23 22 s 2H | 22 22 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CSc1ccccc1C(=O)O
ir: 0 0 1 0 1 0 2 2 3 2 2 1 5 3 1 1 1 4 5 4 9 16 21 10 5 4 1 2 1 0 0 1 1 0 1 1 1 1 1 1 1 1 18 3 3 2 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 5 3 12 12 14 5 3 2 1 2 2 2 1 2 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 5 2 0 1 1 1 1 2 3 1 1 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 1 2 7 14 20 8 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 1 1 1 1 0 0 1 2 3 1 4 12 5 2 1 1 0 0 2 2 40 100 9 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 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; 1HNMR: 79 79 dd 1H J 15 75 | 75 75 dd 1H J 19 71 | 75 74 td 1H J 15 71 | 74 73 td 1H J 19 74 | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc2c(C#N)cc(Br)cc21
ir: 9 6 2 6 15 17 3 6 8 8 12 9 57 43 0 8 15 20 28 7 8 4 3 7 11 4 5 8 9 3 3 8 7 3 5 12 6 3 5 10 8 2 6 10 6 2 5 9 6 2 5 9 6 1 6 12 6 1 10 15 5 1 6 11 6 12 24 17 16 15 7 9 5 3 7 8 4 3 7 8 4 4 7 7 3 3 8 8 5 5 7 7 3 5 8 19 23 6 27 42 4 5 10 7 2 5 9 6 1 5 9 6 1 5 12 9 1 7 13 12 2 6 9 5 2 6 10 9 7 20 16 5 3 7 22 24 2 8 8 3 3 7 7 3 5 14 8 3 3 8 7 2 11 15 13 48 15 8 6 1 19 15 6 4 5 7 5 3 5 8 5 2 6 8 5 3 6 8 5 4 6 5 39 11 6 8 4 3 6 8 4 3 6 7 4 3 7 7 4 3 7 7 3 4 7 7 3 4 7 6 3 4 8 6 3 4 8 6 2 5 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 6 8 5 3 6 8 5 3 6 8 4 3 6 7 4 3 6 7 4 3 7 7 4 4 7 7 3 4 7 6 3 4 7 6 3 6 8 6 3 5 9 6 4 6 9 6 3 7 13 9 6 13 100 72 9 7 12 8 5 7 8 6 3 6 7 5 3 6 7 4 3 6 7 4 4 6 7 4 4 7 7 4 4 7 6 4 4 7 6 3 4 7 6 3 5 7 6 3 5 8 6 3 5 8 5 3 5 8 5 3 5 8 5 3 6 7 5 3 6 7 5 3 6 7 5 4 6 7 4 4 6 7 4 4 6 6 4 4 7 6 4 4 7 6 4 4 7 6 4 5 7 6 3 5 7 6 3 5 7 5 3 5 7 5 3; 1HNMR: 82 82 s 1H | 80 80 d 1H J 22 | 78 78 d 1H J 24 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(CN3CCC[C@H]3C(=O)O)cc3cc4c(cc3c2c1)OCO4
ir: 1 1 2 1 1 7 3 3 2 1 2 1 3 8 21 9 2 3 7 9 94 45 8 9 3 7 2 3 3 2 2 1 1 2 2 1 1 2 2 2 3 3 2 1 1 3 2 1 1 3 2 1 1 0 2 2 20 3 5 2 3 5 4 4 4 32 14 1 4 33 2 27 11 15 7 5 4 17 100 21 56 7 9 3 3 13 1 13 11 6 3 3 4 2 1 4 7 3 2 2 2 1 2 4 18 8 4 4 3 5 5 4 3 1 3 2 2 2 2 1 3 1 3 4 3 2 1 2 1 1 2 3 1 1 1 2 2 2 1 1 1 2 4 63 3 1 1 5 1 1 2 3 1 2 10 9 5 5 1 1 1 2 2 3 2 0 3 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 2 5 3 2 11 7 12 20 19 6 11 7 5 1 1 2 18 40 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 86 | 78 78 d 1H J 27 | 78 78 s 1H | 76 75 m 1H | 72 71 d 1H J 23 | 70 70 dd 1H J 28 85 | 61 60 m 2H | 41 41 dd 1H J 9 137 | 39 39 m 1H | 39 38 s 2H | 38 37 ddt 1H J 18 35 53 | 31 30 m 1H | 30 29 m 1H | 21 20 m 1H | 19 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC(=O)OC(C)(C)C)C(=O)Cl
ir: 2 15 15 7 3 7 15 6 7 16 1 4 5 4 3 5 6 3 2 2 2 3 5 8 18 100 48 22 4 3 3 2 5 3 5 5 3 7 19 3 1 4 2 1 2 4 2 1 3 4 5 4 4 3 1 0 2 5 3 2 2 7 9 4 3 3 1 0 2 2 2 1 2 3 2 3 11 10 8 9 6 5 3 1 3 5 4 8 5 5 7 7 8 5 3 6 6 7 4 5 7 3 4 2 2 10 6 6 7 4 5 25 55 100 5 37 23 19 33 71 48 10 3 9 6 4 4 18 16 22 32 19 7 13 9 7 8 2 4 3 5 7 32 46 30 75 15 5 2 3 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 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 8 14 4 4 6 6 6 5 5 8 10 12 8 11 67 13 9 3 2 5 2 1 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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: 40 40 s 2H | 31 31 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)NCc4ccccc4)cc3c2)CC1
ir: 14 11 8 14 6 5 8 8 9 13 18 4 1 4 4 2 1 2 5 2 6 17 27 6 5 14 7 6 8 94 100 25 13 8 10 13 11 32 68 32 49 48 30 15 13 10 6 2 9 4 3 1 4 8 6 43 32 5 3 3 6 4 2 1 3 6 10 5 24 19 4 3 7 4 2 6 9 14 7 2 7 13 24 21 16 6 5 3 5 12 10 17 4 5 2 5 6 9 9 9 5 21 34 39 11 5 1 3 4 2 2 9 14 6 5 4 6 9 5 10 13 10 8 13 57 10 2 7 5 6 12 9 11 7 15 25 9 5 8 32 38 98 17 26 13 26 40 50 59 12 5 6 39 10 5 15 4 1 1 3 5 1 1 3 4 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 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 3 1 2 2 5 4 3 5 3 1 3 6 5 8 10 16 43 52 46 18 13 3 2 3 2 2 3 6 3 1 2 3 2 1 3 5 4 5 7 7 12 15 66 60 45 6 8 4 2 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 100 99 s 1H | 84 84 dt 1H J 10 21 | 84 83 t 1H J 56 | 77 76 d 2H J 12 | 74 72 m 3H | 73 73 s 3H | 72 71 d 1H J 23 | 46 46 m 2H | 37 37 m 2H | 35 34 ddd 2H J 45 55 114 | 29 28 ddd 4H J 8 44 53 | 28 27 m 1H | 11 10 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(F)c2[nH]c3c(c2c1)CNCC3
ir: 7 4 2 4 7 4 4 4 7 6 5 5 6 8 3 5 7 4 4 7 9 3 3 5 7 5 7 26 10 57 6 7 7 13 5 11 6 5 12 8 6 3 5 8 7 6 8 7 5 1 4 13 40 29 10 16 10 18 17 17 7 4 9 14 9 0 17 7 26 5 10 6 4 3 9 6 5 4 5 5 4 6 14 10 3 3 5 5 3 3 6 7 3 5 9 6 4 9 8 7 15 10 17 5 4 4 6 13 16 26 91 60 3 7 10 12 18 16 11 5 3 10 15 8 7 5 8 6 19 20 9 7 5 10 6 4 4 5 5 4 4 5 5 4 4 6 7 13 5 6 5 4 6 15 15 4 7 11 24 3 10 10 9 4 4 5 4 3 4 6 4 2 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 4 4 5 5 4 4 5 5 3 5 6 6 4 5 6 5 4 5 8 8 8 15 16 17 6 8 7 5 3 5 6 4 3 5 6 5 4 5 7 4 31 100 21 66 16 9 15 39 41 27 30 5 4 6 6 3 4 5 5 4 4 5 4 3 4 5 5 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 3 3 5 5 3 3 5 5 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; 1HNMR: 95 94 d 1H J 48 | 71 70 td 1H J 22 121 | 70 69 dd 1H J 21 121 | 40 39 d 2H J 44 | 32 31 m 2H | 28 28 m 2H | 27 27 p 1H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)c1ccc(Br)c(F)c1
ir: 2 2 2 3 2 2 2 2 2 2 5 2 2 2 2 2 2 3 4 9 4 3 12 3 3 2 3 14 9 2 3 3 2 3 2 2 2 2 2 4 31 10 5 5 3 6 16 5 3 3 2 2 2 2 11 11 3 2 2 2 1 1 2 2 2 2 4 15 12 3 2 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 3 2 1 8 2 1 2 2 2 17 5 4 2 2 2 4 4 2 1 2 2 2 1 1 2 2 1 11 7 5 4 3 4 3 3 4 17 5 19 38 5 3 3 2 1 4 2 2 1 2 2 2 3 20 4 0 18 100 3 6 3 1 8 7 3 1 2 2 2 1 2 2 1 1 1 2 4 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 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 2 2 2 3 2 3 2 1 2 3 2 7 23 3 54 35 24 23 4 3 2 2 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 21 97 | 77 76 m 2H | 47 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=NN(C)c1cc(-c2ccccc2)nc(C)n1)c1ccc(C)cc1
ir: 1 1 1 1 1 1 5 1 1 1 1 1 0 3 2 8 3 3 3 2 1 1 1 1 0 1 1 1 1 1 23 3 6 2 2 15 49 19 5 0 1 6 3 1 1 2 2 2 1 1 1 0 1 3 11 1 1 1 1 0 0 1 1 1 1 5 3 15 7 10 6 1 2 2 1 1 1 1 2 3 1 0 1 1 11 3 0 1 1 1 3 1 1 0 0 0 1 1 4 3 1 1 1 0 1 0 1 1 1 1 1 2 2 1 0 1 4 1 1 2 2 2 0 1 2 2 2 2 2 2 10 4 4 7 1 4 25 1 1 2 2 6 53 65 32 4 3 9 3 10 3 4 3 3 2 1 3 27 2 1 0 2 11 10 3 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 1 0 0 1 2 2 3 2 1 3 5 6 7 22 100 23 19 4 2 2 2 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; 1HNMR: 80 80 m 2H | 75 75 m 2H | 75 74 m 2H | 74 74 m 1H | 72 72 dq 2H J 8 76 | 71 71 s 1H | 37 37 s 3H | 25 25 s 3H | 24 23 s 3H | 23 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)-n1ccnc1CN=C2c1cccc(C(N)=O)c1
ir: 3 3 4 4 6 6 4 6 7 6 6 5 5 4 4 7 2 2 2 8 3 2 3 2 4 5 2 3 3 3 3 16 13 7 5 9 2 2 3 4 2 8 4 3 3 3 4 13 3 2 2 1 2 1 1 1 1 2 2 1 2 2 2 4 4 4 6 16 33 23 9 9 2 3 3 9 8 3 3 10 3 2 2 3 6 2 2 11 1 1 2 9 2 2 3 7 4 2 1 1 1 2 1 2 6 7 5 1 1 1 2 2 2 1 3 6 4 3 7 9 6 6 4 2 2 4 7 16 10 7 9 2 2 9 4 3 3 2 6 2 6 10 3 2 1 2 6 5 4 5 2 3 14 3 4 17 28 6 4 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 2 1 3 8 6 3 2 2 3 4 2 5 14 18 19 11 100 19 37 17 4 2 1 2 1 1 1 1 1 1 1 1 1 2 4 1 1 2 1 1 2 1 1 6 3 0 61 8 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 m 1H | 80 79 m 1H | 77 76 m 3H | 75 75 d 1H J 42 | 74 74 s 2H | 72 72 s 1H | 70 70 s 1H | 49 49 s 2H | 39 39 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(C)NC(=O)c1cc(C(F)(F)F)cnc1NCC(F)(F)F
ir: 6 2 3 2 2 1 1 3 2 3 2 2 1 1 1 1 1 1 1 1 4 3 4 16 16 12 6 6 8 3 3 2 2 5 4 7 2 1 2 2 2 1 7 16 100 54 16 6 4 4 3 3 5 2 2 1 1 1 1 0 1 8 2 1 1 3 1 2 1 1 1 5 5 5 2 2 3 5 4 3 1 1 1 1 1 1 1 1 1 4 2 2 3 3 7 2 1 1 9 15 5 5 4 1 4 5 3 3 1 1 2 4 12 7 5 2 5 3 3 6 6 4 1 3 4 17 9 34 9 5 6 8 2 3 2 2 2 2 3 3 9 8 2 3 8 31 13 4 4 1 1 2 2 35 15 5 29 76 5 3 3 1 9 14 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 7 4 2 4 3 2 1 1 1 0 1 1 1 1 1 2 3 1 2 2 2 1 2 3 1 8 43 74 42 12 7 3 4 5 3 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 p 1H J 13 | 83 83 p 1H J 13 | 82 81 ddt 1H J 24 55 77 | 72 72 s 1H | 43 41 qd 2H J 55 130 | 23 23 s 1H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CSC2CC(CO)S(=O)(=O)C2)cc1
ir: 10 9 27 9 9 7 18 14 9 10 2 40 30 61 9 11 10 7 5 4 22 31 16 4 4 2 2 3 4 4 5 3 2 5 3 4 2 5 2 5 19 3 2 4 4 6 4 3 3 3 4 4 4 1 4 37 14 4 3 3 8 4 5 4 6 8 6 4 4 9 4 3 2 4 2 2 2 1 3 3 1 2 8 13 11 5 25 22 51 22 16 3 7 13 17 63 52 40 19 8 10 8 10 18 6 4 2 9 3 5 12 15 7 2 2 2 1 2 2 3 2 3 2 9 22 17 11 6 3 2 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 3 29 19 7 5 1 3 3 2 1 1 1 1 0 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 4 27 9 3 2 9 8 9 7 8 7 45 33 100 14 5 6 6 19 35 13 3 2 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 72 71 dp 2H J 9 75 | 69 68 m 2H | 41 40 ddd 1H J 57 68 124 | 39 38 m 1H | 38 38 s 3H | 38 37 dt 1H J 8 137 | 37 36 m 2H | 35 35 t 1H J 67 | 35 34 m 2H | 33 32 dd 1H J 64 132 | 26 25 dt 1H J 69 132 | 23 22 dt 1H J 70 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(Cc1ccccc1)n1ccc(OCc2ccccc2)cc1=O
ir: 11 17 13 4 7 4 5 6 9 30 38 11 12 8 3 5 10 7 3 3 8 5 3 2 1 1 5 5 5 11 12 34 4 8 6 7 14 15 21 17 100 27 23 9 5 3 5 5 4 0 9 13 26 25 6 5 2 3 11 5 4 7 23 6 13 20 23 15 43 27 8 7 7 35 6 4 8 6 7 3 1 1 3 6 2 1 2 5 22 41 3 8 5 3 4 6 4 29 23 4 6 4 7 31 33 5 4 2 6 24 6 6 8 16 5 6 3 8 28 28 17 12 19 20 8 33 10 18 6 32 8 8 4 12 14 63 9 10 5 3 13 40 64 32 52 9 6 14 6 41 8 12 9 2 8 55 51 5 1 3 2 3 5 66 6 1 1 2 1 0 1 1 1 0 1 1 0 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 1 0 1 1 0 0 1 1 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 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 2 2 3 4 4 2 3 4 3 3 4 8 13 13 10 9 43 19 38 98 95 96 55 20 24 10 3 3 4 3 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 77 dd 1H J 17 83 | 74 72 m 11H | 61 61 dd 1H J 13 84 | 60 60 d 1H J 13 | 51 51 d 2H J 7 | 48 48 td 1H J 17 76 | 33 32 ddt 1H J 8 77 130 | 30 29 ddt 1H J 9 77 132 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cc(Cl)c([N+](=O)[O-])cc1Cl
ir: 2 2 5 4 2 3 4 5 6 8 18 16 9 3 3 2 3 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 4 2 2 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 2 3 4 7 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 5 1 1 1 1 1 1 1 1 1 1 2 4 4 3 1 2 1 1 1 1 1 1 2 6 2 4 2 4 1 1 1 1 1 1 3 5 1 1 1 1 0 1 24 0 0 1 1 1 0 0 4 22 100 3 5 4 2 3 3 3 1 1 2 3 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 4 1 0 6 19 3 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 6 10 24 22 7 2 1 1 3 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 s 1H | 71 70 s 1H | 54 53 t 1H J 41 | 35 34 qd 2H J 41 62 | 13 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(F)c1ccccc1
ir: 12 5 6 3 4 6 3 5 2 1 1 1 5 4 2 2 1 1 1 1 1 1 1 2 5 9 2 4 5 4 6 31 28 13 5 2 2 2 5 8 21 7 12 14 4 1 2 1 1 1 3 2 1 0 1 2 1 0 1 2 3 2 4 2 11 20 4 12 13 10 3 4 18 14 11 6 3 3 2 5 1 0 1 1 1 1 2 5 23 5 4 3 2 2 6 7 4 12 12 4 17 5 1 1 1 1 1 1 1 1 1 1 1 3 10 9 10 6 3 8 7 5 4 12 6 4 1 2 3 2 0 2 5 0 33 15 3 4 4 1 3 3 51 100 58 31 30 11 3 4 2 10 5 4 3 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 7 3 3 3 15 26 16 31 88 70 10 9 5 4 2 3 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 5H | 74 73 m 1H | 57 57 d 1H J 7 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(CCc1ccc(-c2ccccc2)cc1)CC(=O)OC(C)(C)C
ir: 6 6 5 5 3 2 3 3 4 9 8 4 9 3 2 5 10 6 5 9 11 4 1 1 2 6 2 3 10 5 5 8 4 8 3 3 3 10 9 7 18 26 4 2 2 1 1 2 2 2 2 3 4 1 9 20 7 2 2 1 2 3 3 3 2 2 8 7 5 8 25 6 4 1 3 1 3 3 4 3 4 2 1 1 1 1 1 1 2 7 13 4 2 2 2 2 5 3 9 4 26 11 8 5 3 2 8 8 17 7 2 3 4 4 3 4 4 7 9 15 27 14 12 11 9 13 26 10 10 10 7 7 6 6 8 11 6 3 3 2 13 13 9 12 61 66 18 1 8 9 4 3 8 3 2 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 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 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 3 3 4 6 4 4 3 4 5 7 3 6 20 54 31 31 100 40 13 13 9 6 6 2 3 2 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 tt 5H J 15 86 | 75 74 m 2H | 74 73 ddt 1H J 14 64 80 | 72 71 dq 2H J 9 82 | 51 51 p 1H J 61 | 29 27 m 2H | 27 25 m 2H | 22 21 dtd 1H J 62 86 147 | 20 20 s 3H | 20 19 dtd 1H J 60 85 147 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOC1CCCCCCCCCCC1
ir: 4 3 6 4 1 2 2 1 2 2 3 1 1 2 1 1 1 1 1 3 2 1 2 1 0 1 1 1 0 1 1 1 1 1 1 2 3 3 2 2 1 2 2 1 2 1 3 2 1 1 1 1 9 2 1 1 1 1 1 0 1 1 1 3 2 2 2 2 1 3 3 1 1 2 2 4 4 3 1 1 1 1 2 4 4 8 18 11 8 3 2 3 19 2 2 2 2 1 1 1 1 1 0 2 2 2 0 2 2 4 5 4 4 2 1 2 3 2 3 3 2 3 1 3 3 2 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 2 2 4 3 2 4 1 2 2 2 2 6 6 5 3 1 1 1 1 1 2 1 7 100 4 2 2 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 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 37 37 dt 2H J 48 61 | 36 36 t 2H J 47 | 35 34 p 1H J 59 | 26 25 m 1H | 17 16 dtd 2H J 59 89 130 | 16 15 m 2H | 15 13 m 19H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=C(C#N)c1ccc(C)cc1
ir: 0 8 16 8 5 17 21 12 6 17 23 15 16 18 21 6 2 12 14 6 3 11 13 7 4 12 17 7 6 13 12 4 5 16 12 4 6 14 12 3 6 14 11 2 6 15 10 3 7 16 14 5 15 41 35 2 60 100 11 2 9 16 9 3 17 37 12 4 26 59 20 5 12 21 7 4 11 13 6 4 10 13 6 5 12 12 9 21 16 14 4 6 13 10 5 8 25 44 2 8 19 11 1 7 15 11 3 8 16 10 3 9 17 10 5 26 49 35 19 14 17 12 6 17 25 22 15 17 23 11 10 13 15 7 6 12 13 5 4 11 12 6 5 14 40 42 11 16 11 4 19 28 98 5 7 15 12 4 7 14 10 3 7 14 9 2 7 15 9 1 8 15 8 2 9 14 8 3 9 14 8 7 11 17 6 2 10 13 6 3 11 13 6 4 11 12 5 4 11 12 5 5 12 11 4 5 12 11 4 6 13 10 3 6 13 10 3 7 14 9 2 7 14 9 2 8 14 8 2 8 15 8 2 9 14 7 3 9 14 7 3 10 13 6 3 10 12 6 4 11 12 5 4 11 11 5 5 12 11 5 5 12 11 4 6 13 11 4 8 14 19 11 7 14 10 5 10 14 14 6 17 22 26 24 32 32 70 64 35 20 21 19 12 22 10 9 12 12 8 6 9 12 7 5 10 11 7 6 10 11 6 6 10 11 6 6 11 10 5 6 11 10 5 7 11 9 5 7 12 9 4 7 12 9 4 7 12 8 4 8 13 8 3 8 13 8 4 8 12 7 4 9 12 7 4 9 12 7 5 9 11 7 5 10 11 6 5 10 11 6 6 10 10 6 6 11 10 5 6 11 10 5 7 11 9 5 7 12 9 4 7 12 9 4 8 12 8 4 8 12; 1HNMR: 75 75 m 2H | 73 72 m 2H | 23 23 d 3H J 9 | 19 18 q 3H J 13 | 18 18 q 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)Nc2cc(F)ccc2OC1CCCCl
ir: 8 12 9 18 29 18 18 14 13 19 50 14 14 16 12 14 8 10 8 14 12 15 12 9 11 14 10 10 10 10 9 10 7 7 9 10 12 14 12 7 10 8 7 8 8 7 8 8 7 7 7 9 13 40 36 22 12 10 8 9 7 9 11 7 8 12 14 34 34 11 10 11 10 8 13 7 7 6 8 7 6 7 8 7 8 14 98 60 12 7 7 10 14 10 7 9 9 14 75 51 9 8 12 8 11 14 15 13 7 16 8 16 15 16 18 8 8 9 11 8 18 17 12 10 8 6 5 7 9 11 30 43 21 13 12 8 8 8 7 7 8 6 7 11 12 6 6 8 8 1 64 7 7 26 8 7 7 7 6 7 6 0 36 3 6 8 6 5 6 7 6 5 6 7 6 6 6 7 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 7 8 8 8 7 8 8 7 9 9 9 18 14 12 9 100 44 6 7 9 7 7 8 9 7 7 7 8 6 7 7 7 9 6 7 8 7 8 7 9 18 39 54 10 9 9 7 7 6 6 7 6 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 86 86 s 1H | 72 72 dd 1H J 21 121 | 70 69 dd 1H J 46 84 | 68 68 ddd 1H J 22 84 105 | 53 52 t 1H J 65 | 36 35 m 2H | 25 24 dtd 1H J 65 81 162 | 22 21 m 1H | 21 20 m 1H | 20 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(C2CCc3c(O)ccc(Oc4ccc(OCCN5CCCCC5)cc4)c3C2)cc1
ir: 0 0 1 0 0 1 0 0 0 1 1 0 1 0 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 3 2 7 4 2 0 1 0 0 0 0 0 0 1 1 1 1 3 1 1 1 0 0 0 0 1 0 1 9 7 3 3 12 5 1 1 1 1 2 0 0 1 1 1 1 1 1 0 0 1 2 0 0 0 1 1 1 1 1 1 0 1 0 0 1 0 0 0 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 2 6 2 1 1 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 0 0 0 1 1 2 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 1 2 1 10 16 2 0 1 1 3 0 5 100 4 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 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; 1HNMR: 72 72 s 1H | 71 70 m 2H | 69 68 m 4H | 68 67 m 2H | 67 66 m 2H | 63 63 s 1H | 42 41 m 2H | 32 31 m 2H | 30 30 m 3H | 30 29 m 1H | 29 28 ddd 1H J 57 83 157 | 25 24 m 4H | 22 21 ddt 1H J 58 83 133 | 20 19 ddt 1H J 58 83 134 | 16 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1
ir: 1 6 6 6 15 15 20 37 14 10 10 7 5 7 7 12 5 9 10 5 15 11 34 4 6 3 3 5 8 8 8 21 26 21 17 13 8 16 49 21 39 45 38 32 17 6 5 5 6 6 5 3 8 9 15 40 40 9 9 3 3 6 5 4 8 62 41 35 26 8 18 21 13 4 8 4 8 5 12 11 9 15 8 20 34 16 45 48 18 11 5 12 27 49 22 9 5 5 9 8 3 5 5 3 7 38 22 12 8 10 9 9 7 10 10 5 7 9 12 24 24 12 8 7 6 5 5 8 5 3 2 5 9 5 0 7 6 1 32 60 6 5 5 1 2 8 19 14 28 30 27 14 6 15 19 2 2 3 3 3 12 9 6 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 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 4 4 3 5 6 4 4 6 5 5 4 13 20 39 48 31 40 50 26 5 5 4 3 2 2 3 3 2 3 2 3 2 2 3 3 3 4 4 8 4 6 12 100 17 6 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1; 1HNMR: 88 88 s 1H | 86 86 s 1H | 79 78 d 1H J 95 | 78 77 dd 1H J 7 22 | 75 74 m 1H | 56 56 ddd 1H J 14 21 29 | 37 37 m 1H | 34 34 d 6H J 14 | 33 32 s 3H | 22 21 ddd 1H J 69 76 146 | 20 19 m 1H | 18 17 m 1H | 17 15 m 4H | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC(=O)OC(C)(C)C)c1ccc(F)cc1Br
ir: 10 9 1 3 3 2 3 9 12 10 7 3 3 2 1 1 3 12 1 2 2 0 1 4 9 8 36 63 42 16 5 1 2 6 2 1 7 7 4 1 1 0 2 1 1 0 0 1 1 0 1 1 1 7 43 12 4 1 3 2 1 5 6 2 1 0 2 72 7 2 1 1 1 7 1 1 1 1 1 2 2 2 4 7 2 1 1 1 6 2 2 1 1 2 9 24 6 4 8 8 2 1 4 2 1 3 5 9 7 7 17 2 3 6 3 2 0 3 7 10 4 11 19 15 4 2 3 9 11 7 16 8 2 3 1 1 0 1 5 15 99 38 7 8 5 32 75 7 11 65 14 6 4 3 1 2 1 1 1 2 13 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 3 3 2 1 1 1 1 0 2 2 4 5 8 7 33 1 10 68 8 7 1 1 1 1 1 0 1 1 0 1 2 1 1 1 1 1 1 2 3 7 22 100 67 14 4 2 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 71 70 ddd 1H J 21 77 100 | 54 53 m 2H | 17 16 m 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1csc(NC(=O)c2ccn3c(=O)c(C=O)c(N4CCC[C@H](OC=O)C4)nc3c2)n1
ir: 3 5 7 3 3 3 6 3 3 6 5 3 1 6 7 3 3 4 8 5 1 7 5 4 1 4 4 4 7 4 5 3 2 8 9 8 4 5 5 4 11 12 7 3 6 10 8 2 3 7 5 3 5 11 28 8 9 11 5 2 7 11 24 8 12 4 2 4 7 7 7 4 4 4 2 1 3 12 16 2 5 9 4 10 16 5 2 4 8 6 4 6 8 4 7 4 6 6 4 8 5 4 2 6 50 18 11 30 7 26 22 12 21 27 0 6 8 9 17 11 10 7 4 5 5 6 11 9 18 11 4 7 5 10 32 22 23 26 11 5 4 2 1 6 10 6 2 7 7 6 3 6 4 1 1 6 36 32 5 5 5 2 2 3 2 1 2 3 2 1 2 4 2 24 44 5 2 1 2 5 9 1 2 6 12 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 2 3 1 2 4 3 1 2 4 4 5 5 5 6 9 11 12 5 4 7 18 9 41 50 25 31 100 42 7 5 3 2 3 2 4 3 3 2 1 2 3 2 1 2 3 2 1 3 5 9 18 14 4 5 6 7 5 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2; 1HNMR: 87 87 d 1H J 73 | 78 78 d 1H J 18 | 77 77 dd 1H J 13 73 | 74 74 d 1H J 13 | 67 67 s 1H | 48 47 m 1H | 39 38 dd 1H J 18 112 | 37 36 m 4H | 20 18 m 3H | 18 16 m 2H | 13 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(c1)C(c1ccccc1)=NCCN2
ir: 18 17 35 7 7 14 9 12 11 7 6 10 32 3 2 11 3 2 2 2 4 2 5 7 2 3 2 2 3 2 7 13 3 2 3 8 10 1 2 2 4 9 2 1 1 2 1 1 1 1 2 0 3 16 18 5 2 2 2 1 1 2 1 0 2 8 6 8 14 7 6 2 3 2 1 1 1 2 2 2 1 1 0 0 1 3 3 1 1 1 1 1 6 3 2 3 2 1 2 3 9 46 1 1 2 1 0 1 2 2 3 3 2 1 1 3 2 2 4 9 13 6 2 5 4 3 1 1 2 8 0 2 3 1 12 5 2 3 12 12 10 18 9 9 30 10 5 5 5 2 10 48 5 2 6 1 1 1 1 1 2 2 11 7 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 2 6 13 6 33 38 22 5 4 4 2 3 2 1 2 1 1 0 1 1 1 2 1 1 3 7 4 3 7 100 35 5 2 3 2 1 0 1 1 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 75 74 m 1H | 75 74 m 4H | 74 74 m 1H | 73 72 dd 1H J 24 82 | 68 68 d 1H J 83 | 44 44 t 1H J 53 | 37 36 dt 2H J 58 68 | 36 35 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(c1ccccn1)c1c(CCN(C)C)sc2cc(C)ccc12
ir: 5 5 1 26 6 8 3 2 1 1 1 3 2 1 8 3 2 1 1 1 1 2 1 1 1 5 2 2 2 1 1 3 4 2 4 2 2 5 27 25 17 3 4 3 3 6 2 1 2 1 2 7 6 9 85 17 3 3 3 3 3 1 2 7 8 5 4 4 3 7 12 6 11 7 14 3 2 4 7 12 3 28 11 5 4 2 10 21 12 3 4 4 7 17 3 5 3 2 33 7 3 1 5 13 11 2 1 8 1 1 3 2 1 2 1 1 2 1 2 2 3 3 3 2 2 7 16 8 8 8 7 6 4 6 3 9 50 30 23 10 7 7 6 2 3 5 3 3 18 14 2 2 24 17 25 10 42 7 4 14 32 4 2 1 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 3 3 3 3 3 6 5 1 9 14 1 25 100 53 15 8 6 15 6 4 1 3 2 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 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 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 dd 1H J 16 42 | 78 77 m 2H | 77 76 m 1H | 74 73 dd 1H J 14 61 | 72 72 ddd 1H J 13 42 73 | 72 71 m 1H | 61 61 d 1H J 37 | 55 55 d 1H J 37 | 30 30 td 2H J 7 55 | 30 29 m 2H | 24 24 d 8H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(NC(=O)c2ncc(C#N)c3ccccc23)CC1
ir: 3 4 8 5 7 14 2 2 5 10 24 15 7 7 27 5 3 1 2 2 1 2 5 7 3 2 3 2 0 7 19 22 12 16 2 4 4 14 2 2 14 7 6 4 14 22 12 3 1 0 2 1 1 2 1 3 8 6 4 2 1 2 5 3 1 2 1 1 1 3 2 1 1 2 3 6 7 0 1 5 2 1 1 0 0 1 6 6 3 2 2 1 1 0 1 1 2 1 18 2 3 5 1 1 5 13 3 5 9 6 6 7 2 6 7 5 6 9 8 19 19 14 51 39 3 4 5 4 7 18 18 24 5 1 2 22 59 6 3 3 9 22 10 5 8 4 25 7 3 9 18 100 4 2 1 0 1 7 4 1 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 66 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 1 1 1 2 2 2 2 3 2 1 1 2 6 5 11 36 10 14 31 10 3 16 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 2 2 2 3 20 18 8 9 5 3 5 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 s 1H | 85 85 dd 1H J 15 85 | 83 82 dd 1H J 13 74 | 77 76 m 2H | 74 74 d 1H J 88 | 40 39 dp 1H J 46 90 | 37 36 ddd 2H J 60 87 128 | 34 33 ddd 2H J 60 88 130 | 21 20 dddd 2H J 46 60 88 132 | 19 18 dddd 2H J 45 60 88 132 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)Nc2ccc(CCN3CCC(c4noc5cc(F)ccc45)CC3)cc21
ir: 8 3 1 3 2 2 5 4 20 7 5 2 1 4 3 3 7 6 4 3 2 5 16 7 2 3 2 3 3 13 33 100 23 2 5 8 9 4 32 3 4 1 2 4 2 2 2 4 5 3 3 26 5 37 19 38 6 2 2 1 3 2 4 4 5 10 91 17 6 2 2 2 1 0 2 2 0 5 5 6 68 6 1 1 4 15 5 4 2 2 8 1 3 3 2 8 3 3 4 15 13 8 7 7 2 8 3 7 11 4 3 2 2 2 13 4 2 3 3 4 5 19 2 4 6 3 1 4 4 6 8 7 10 12 4 14 2 2 1 1 1 1 2 2 6 3 2 0 1 3 7 7 81 3 18 4 41 5 1 6 2 1 3 26 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 1 1 2 2 3 3 3 2 3 3 2 2 13 30 8 21 26 43 5 3 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 3 14 6 19 85 4 2 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 80 80 dd 1H J 50 85 | 77 76 dd 1H J 22 121 | 73 72 ddd 1H J 22 85 104 | 72 71 m 2H | 70 70 dd 1H J 21 76 | 32 31 p 1H J 53 | 30 29 ddd 2H J 64 92 115 | 28 27 d 6H J 36 | 26 25 ddd 2H J 64 92 115 | 22 21 dddd 2H J 52 63 92 143 | 20 18 dddd 2H J 52 63 90 141 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C#CC(=O)C(F)(F)F)Oc1ccc(OC(F)(F)F)cc1
ir: 14 9 4 5 5 7 3 3 5 4 6 4 6 8 7 8 17 5 3 3 2 4 8 12 12 9 4 3 3 3 3 2 3 5 6 2 3 6 4 1 6 9 3 1 2 12 32 15 5 3 3 5 6 6 20 21 69 2 6 7 9 4 4 3 7 5 3 4 6 15 4 3 28 86 11 7 3 0 3 3 1 1 3 3 2 2 6 9 5 5 5 4 3 9 9 29 43 42 59 57 25 13 18 8 2 2 3 3 6 4 4 2 2 2 2 3 7 5 7 4 2 3 4 3 3 4 3 8 7 12 7 3 3 2 2 2 2 2 2 3 9 37 10 3 3 4 3 17 73 22 12 6 25 7 3 1 2 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 3 8 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 2 2 2 1 1 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 1 2 2 2 1 2 2 2 2 3 3 3 3 2 3 2 2 2 2 4 8 7 9 18 2 17 100 34 15 8 4 5 5 5 3 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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; 1HNMR: 72 71 m 2H | 69 69 m 2H | 16 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc2c(Br)cc(N)cc2c1NC1CCCC1
ir: 22 13 13 15 42 25 6 8 2 6 7 4 4 4 3 4 3 7 4 4 5 4 6 4 4 5 5 6 6 6 8 14 7 5 3 5 6 3 6 3 4 4 4 5 4 3 3 3 4 6 4 5 16 7 5 3 7 5 5 4 4 3 4 3 3 3 4 8 8 3 4 3 6 4 3 3 3 3 3 3 6 20 5 3 3 3 3 3 3 3 3 3 5 3 3 2 3 3 3 3 3 4 10 4 5 11 7 7 9 15 6 5 2 4 6 3 3 4 3 4 5 12 6 4 7 4 5 5 5 3 3 3 3 2 2 3 3 5 4 3 3 3 7 8 6 2 6 6 4 3 6 17 9 2 16 21 61 100 17 1 7 8 4 0 2 5 7 2 2 4 2 1 2 4 2 1 3 4 2 1 3 4 4 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 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 3 2 3 4 3 3 3 4 3 2 3 3 3 3 6 6 8 4 6 12 8 10 6 4 3 2 3 3 3 2 3 3 3 3 3 5 3 7 18 5 9 6 14 12 13 16 10 10 11 53 19 7 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 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 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 86 86 s 1H | 75 75 d 1H J 22 | 73 73 d 1H J 22 | 69 69 d 1H J 70 | 53 52 s 2H | 41 40 dp 1H J 35 70 | 21 20 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2COC(C)=O)cc1
ir: 3 5 7 12 9 4 6 4 11 10 8 10 25 12 49 46 17 1 0 4 2 2 2 5 10 7 10 6 5 3 3 3 1 2 3 1 5 3 5 4 6 4 3 1 2 1 2 1 2 1 2 2 5 16 21 33 11 12 8 6 15 8 7 5 5 1 4 9 9 16 12 5 7 4 4 5 3 2 1 2 0 1 1 3 1 1 3 4 5 2 6 4 1 1 2 2 2 1 2 6 3 8 12 4 0 1 1 3 15 2 3 1 1 2 5 31 80 15 9 15 19 11 5 8 7 39 8 15 11 2 2 2 1 4 3 3 3 2 2 5 4 7 40 100 71 50 4 9 24 15 33 23 3 2 1 1 1 1 0 1 2 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 2 2 7 4 3 6 4 3 4 8 6 6 16 20 34 44 21 9 7 12 5 2 5 3 2 1 1 1 0 0 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 76 76 m 2H | 42 42 dd 1H J 48 103 | 40 39 dd 1H J 48 104 | 39 39 s 3H | 23 22 ddd 1H J 56 65 79 | 20 20 s 3H | 16 16 q 1H J 66 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C(=O)Cl)CCC(OCc2ccccc2)CC1
ir: 9 3 1 4 7 7 7 3 2 2 4 2 1 2 1 1 2 2 3 3 17 28 7 3 1 1 3 2 1 5 9 42 13 2 3 3 3 2 6 20 100 2 1 5 10 4 8 8 4 2 3 4 2 5 2 2 3 1 2 2 2 7 6 6 11 6 5 8 25 10 5 4 8 23 16 14 1 21 21 5 3 2 1 1 1 1 3 6 6 5 2 3 1 3 5 3 2 4 11 22 2 6 8 10 13 12 10 4 3 3 4 6 2 2 3 2 3 4 8 20 13 9 8 11 10 10 5 7 7 5 8 13 7 4 10 28 41 7 19 24 4 2 8 39 18 10 5 2 1 2 1 3 7 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 3 6 7 10 6 2 3 4 6 7 6 28 17 21 36 81 37 11 4 4 1 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; 1HNMR: 74 73 m 5H | 46 45 d 2H J 10 | 39 38 p 1H J 44 | 20 18 m 4H | 18 17 ddd 2H J 66 95 137 | 17 16 dddd 2H J 45 67 92 139 | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
ir: 6 6 3 3 3 3 3 6 4 7 4 4 5 3 6 8 5 9 3 9 19 95 68 20 5 7 11 5 5 8 7 3 5 7 5 13 56 21 17 40 10 4 3 1 2 3 2 2 2 3 2 1 2 3 3 1 3 3 2 5 7 2 8 6 6 3 4 6 7 8 4 4 4 3 2 2 6 48 52 12 9 3 10 9 5 73 15 15 20 14 4 6 5 5 4 3 2 6 4 3 3 9 4 3 4 4 3 3 2 5 18 40 6 26 0 5 6 15 2 7 25 5 6 5 16 8 4 3 3 2 1 2 3 1 0 3 4 2 16 53 2 2 2 2 2 6 15 4 3 1 4 4 3 5 15 19 3 2 6 43 2 2 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 3 3 2 2 1 2 2 2 1 5 5 3 18 7 3 2 2 2 3 8 25 23 100 11 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2; 1HNMR: 92 92 t 1H J 17 | 91 91 d 2H J 16 | 87 87 d 1H J 16 | 84 83 d 1H J 16 | 46 45 m 1H | 38 37 m 1H | 37 36 ddd 1H J 60 78 138 | 36 35 m 2H | 31 30 d 1H J 51 | 22 21 dddd 1H J 25 60 77 127 | 19 18 dddd 1H J 45 60 79 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1
ir: 4 3 2 4 4 5 1 3 14 9 4 5 2 17 4 2 6 2 1 3 7 3 7 6 4 3 3 2 1 1 2 1 1 2 1 1 5 5 3 1 2 2 4 30 2 1 1 1 1 1 1 1 1 2 2 7 7 6 2 1 3 2 1 1 2 9 9 5 4 2 1 1 1 1 5 2 1 2 3 9 3 9 2 2 3 7 23 1 3 7 2 1 2 1 0 1 1 1 1 2 1 1 1 1 1 1 2 8 12 5 0 2 1 1 1 1 4 12 4 2 3 3 9 1 1 1 1 1 1 2 1 1 1 1 1 2 4 2 16 2 28 1 1 2 2 2 1 10 4 6 5 10 10 4 1 1 1 2 4 12 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 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 2 4 3 3 4 33 16 3 2 0 2 1 1 1 1 1 1 1 1 1 1 1 2 4 10 1 1 1 0 1 1 1 1 3 2 6 100 7 3 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 dd 1H J 51 83 | 79 79 dd 1H J 16 81 | 79 78 m 2H | 78 77 dd 1H J 22 82 | 76 75 m 2H | 74 73 dd 1H J 22 121 | 51 51 s 2H | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCc2cc(Cl)c(Cl)cc21
ir: 7 3 2 4 7 5 37 4 5 5 2 5 7 2 2 5 6 2 3 6 11 8 4 16 7 3 1 6 9 5 9 8 6 7 6 8 13 8 7 17 13 6 16 7 6 1 4 6 4 1 3 6 3 0 3 7 7 1 3 7 3 0 4 6 4 13 7 17 7 5 6 6 3 1 4 5 2 1 4 5 2 1 4 5 3 2 5 5 1 2 5 5 6 32 13 6 1 2 5 4 1 3 6 8 7 4 7 3 0 3 6 4 2 3 7 4 2 6 8 4 4 5 14 5 2 4 7 13 7 6 7 2 16 6 5 8 2 5 5 2 2 9 9 3 5 5 5 2 2 5 4 3 4 7 5 100 5 16 10 3 3 5 4 1 3 6 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 3 6 4 1 3 5 4 1 5 7 5 2 19 7 16 9 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 5 5 6 6 18 28 14 9 6 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 78 78 s 1H | 73 73 d 1H J 10 | 71 70 t 1H J 41 | 37 37 q 2H J 42 | 31 30 tdd 2H J 9 30 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(N2CCOCC2)c2sc(CN3CCC(N4CCCCC4)CC3)cc2n1
ir: 2 5 6 5 4 4 5 3 3 2 5 2 1 2 7 11 12 4 3 2 3 3 4 3 2 3 3 3 4 9 8 7 3 4 4 4 5 5 48 25 9 4 4 2 2 3 3 3 17 19 17 7 7 5 5 2 4 4 3 1 2 4 3 1 4 3 5 6 6 10 4 3 14 15 4 3 5 3 6 8 20 18 8 9 21 24 11 20 19 13 9 15 20 12 6 6 7 15 10 7 8 10 8 4 4 2 3 3 14 4 6 9 9 6 6 4 8 4 3 3 3 3 3 4 4 3 3 4 6 5 2 2 4 3 4 3 7 7 13 28 15 5 7 69 100 4 4 3 4 13 35 8 5 3 11 30 24 1 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 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 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 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 2 4 5 3 4 4 4 2 2 4 4 8 16 12 4 2 19 23 5 3 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 71 t 1H J 10 | 39 38 m 6H | 37 36 m 4H | 28 28 ddd 2H J 49 77 119 | 26 25 p 1H J 55 | 26 25 m 4H | 25 24 ddd 2H J 49 77 123 | 19 18 ddt 2H J 52 77 117 | 16 16 m 1H | 16 15 m 5H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C(=O)C(c2ccc(Cl)c(F)c2)CC1(C)C
ir: 2 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 0 1 1 0 0 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 0 1 1 1 4 7 5 2 0 1 1 0 0 1 1 0 1 1 9 2 1 2 0 0 1 4 1 1 1 1 1 3 3 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 2 4 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 0 1 0 1 1 0 1 1 1 2 2 3 2 1 1 1 2 1 1 2 2 2 5 2 3 13 13 2 0 1 1 1 0 0 1 2 1 1 16 11 1 1 2 3 100 3 1 1 1 1 1 1 2 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 6 9 5 3 18 2 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 1H | 72 71 m 2H | 39 39 m 1H | 24 23 dd 1H J 47 127 | 22 21 dd 1H J 47 127 | 15 15 d 12H J 29 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCC1CCN(c2ccc(Cl)nn2)CC1
ir: 3 2 2 2 2 2 4 2 2 6 9 2 2 2 11 6 3 1 1 1 2 1 1 1 1 1 1 2 2 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 45 100 4 5 4 0 1 5 3 5 2 2 2 0 2 4 2 7 3 3 2 0 3 3 1 0 1 2 1 1 2 4 8 6 5 39 5 22 21 27 7 5 2 3 3 2 3 4 3 7 4 2 2 3 2 9 4 2 12 4 1 2 2 3 1 1 2 2 1 3 5 4 2 2 3 4 3 4 3 3 6 16 10 1 3 2 2 1 1 1 2 48 14 2 1 2 5 7 3 4 2 1 1 1 1 2 13 2 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 4 3 3 1 1 2 1 2 3 6 15 7 6 10 21 7 3 2 2 4 15 45 5 3 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 76 75 d 1H J 86 | 70 69 d 1H J 84 | 38 38 ddd 2H J 61 88 137 | 36 36 q 2H J 57 | 34 33 ddd 2H J 61 88 139 | 23 22 t 1H J 61 | 21 20 dddd 2H J 52 61 88 123 | 18 17 dddd 2H J 52 61 88 123 | 16 15 ddq 1H J 50 62 77 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCC(O)S2
ir: 6 3 4 6 4 3 4 2 7 2 2 3 3 4 0 1 2 1 1 5 3 2 1 2 1 0 0 1 2 1 3 4 3 1 2 3 3 12 27 6 3 4 5 5 2 1 4 6 3 6 31 8 11 3 2 3 4 10 13 7 3 0 1 2 1 0 1 2 5 3 1 3 2 0 2 4 2 4 13 3 0 0 4 3 3 5 45 4 4 3 2 1 1 1 1 1 1 1 1 2 3 3 2 6 4 2 5 13 17 5 5 3 3 2 5 6 8 12 9 4 3 4 3 2 5 3 3 4 4 2 2 2 1 5 7 10 3 4 21 3 2 2 1 2 3 3 2 1 1 1 1 5 9 31 11 2 1 45 27 2 1 27 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 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 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 2 2 2 2 2 3 4 4 2 2 3 2 2 5 3 5 3 7 22 5 4 4 3 2 2 4 100 15 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 75 74 m 3H | 50 49 q 1H J 43 | 44 43 d 1H J 40 | 41 40 ddd 1H J 64 91 117 | 40 39 ddd 1H J 64 92 117 | 38 38 t 2H J 71 | 23 22 dddd 1H J 44 64 91 126 | 21 20 dddd 1H J 44 64 91 126 | 18 17 dtd 2H J 72 80 151 | 10 10 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)c1cccc(Cl)c1
ir: 9 8 5 6 5 3 1 1 1 1 2 2 1 2 4 1 2 1 0 1 2 1 1 3 1 2 3 4 6 13 23 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 2 34 2 1 1 1 1 0 1 1 1 1 1 1 1 3 2 1 2 5 3 15 3 2 1 1 2 1 2 6 7 8 13 9 21 7 24 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 2 3 7 5 2 2 2 10 7 2 2 1 2 7 8 4 1 7 1 0 1 1 0 0 1 1 0 1 4 4 14 61 16 5 4 1 0 0 1 1 1 1 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 4 5 3 8 42 19 5 1 1 1 1 1 1 1 1 1 2 1 1 7 49 100 13 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 78 77 ddd 1H J 12 21 75 | 77 77 t 1H J 21 | 76 76 s 1H | 75 75 m 1H | 74 73 ddd 1H J 13 22 81 | 43 42 q 2H J 60 | 13 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCC1CC(Cc2ccccc2)CCC1=O
ir: 11 12 7 6 4 4 4 3 2 7 4 8 2 3 3 15 3 3 4 5 3 2 2 3 19 4 3 5 9 6 18 10 4 5 4 1 4 6 21 30 21 5 5 3 11 7 6 0 1 5 2 1 2 3 2 3 10 3 8 1 5 3 2 2 3 2 2 2 11 4 2 3 4 8 6 5 4 3 4 2 2 2 1 1 2 2 1 6 5 17 2 2 5 3 2 3 3 4 12 10 6 5 4 5 3 4 3 8 18 38 27 14 11 10 24 23 18 14 14 9 12 11 16 8 4 5 5 2 5 4 3 3 4 4 9 22 5 5 5 4 6 7 38 64 100 47 20 7 4 1 1 6 2 1 2 2 2 0 1 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 2 5 12 9 4 7 3 6 7 11 7 24 28 35 16 95 14 12 3 1 2 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 0 1 2 1 0 1 2; 1HNMR: 73 72 m 2H | 73 72 m 1H | 72 71 ddt 2H J 9 17 72 | 42 41 q 2H J 66 | 29 28 ddt 1H J 8 72 134 | 26 25 m 2H | 25 24 m 2H | 24 23 m 1H | 23 22 dt 1H J 94 158 | 20 20 m 1H | 20 19 m 1H | 20 19 m 1H | 19 18 m 1H | 18 17 dtd 1H J 68 94 135 | 17 15 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc2c(c(C)c(C)n2C)c1OC(=O)C(C)(C)C
ir: 22 13 8 11 12 17 64 42 28 42 44 57 23 13 13 31 31 9 7 11 15 6 4 11 8 16 17 11 11 7 6 7 7 7 7 10 11 4 23 29 10 7 8 11 8 6 16 19 10 8 8 13 13 16 15 8 10 8 9 11 14 60 44 23 24 13 16 17 9 3 9 13 14 20 14 21 12 10 13 13 16 38 33 17 18 10 10 19 14 24 69 13 9 8 13 8 7 8 7 7 9 9 27 64 23 9 27 68 68 7 10 9 13 19 41 20 32 56 45 48 47 41 52 34 37 40 28 29 45 51 69 15 7 9 13 7 17 11 8 43 51 9 11 11 100 70 26 43 20 9 35 18 7 10 9 9 4 9 7 0 62 19 6 4 5 8 5 3 5 8 5 2 6 8 5 3 5 8 5 2 6 7 5 3 6 8 4 3 6 7 4 3 6 7 4 3 6 7 4 4 7 7 4 4 7 6 3 4 7 6 3 4 7 6 3 5 8 6 3 5 7 6 3 5 8 5 3 5 8 5 3 5 8 5 3 6 8 5 3 6 7 5 3 6 7 5 4 6 7 4 4 7 7 4 4 7 6 4 4 7 6 4 5 7 7 4 5 9 8 12 18 18 17 7 7 11 17 10 8 15 16 14 41 44 71 13 23 15 9 10 9 9 6 4 7 8 6 4 6 7 5 4 6 7 5 4 6 7 4 4 6 6 4 4 6 6 4 4 6 6 4 4 7 6 4 4 7 6 4 5 7 6 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 6 7 5 4 6 7 5 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 5 6 6 4 5 7 6 4 5 7 5 4 5 7 5 3 5 7 5 3; 1HNMR: 90 89 s 1H | 44 44 q 2H J 64 | 36 36 s 3H | 23 22 s 3H | 22 21 s 3H | 14 13 t 4H J 64 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
ir: 1 1 1 1 1 2 1 2 1 1 2 0 3 4 2 6 8 9 3 0 0 1 1 3 1 1 1 2 6 4 1 1 1 1 1 1 1 1 1 0 1 4 1 2 3 2 1 1 2 5 1 1 2 2 4 1 2 1 1 0 4 3 1 2 5 4 4 2 2 3 3 0 4 5 2 1 2 1 1 1 2 1 1 2 1 1 1 5 2 2 9 2 0 1 2 7 4 1 1 2 3 1 7 4 2 12 9 9 16 8 8 7 7 6 9 6 12 12 13 12 21 8 7 2 3 4 5 4 3 3 3 5 2 4 7 11 5 2 1 3 2 2 4 100 22 8 1 3 2 2 1 1 2 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 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 3 2 4 8 5 8 9 7 8 7 6 16 28 58 15 7 3 2 2 1 0 1 1 0 0 1 1 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 0 0 0 0 0 0 0 0; 1HNMR: 25 24 ddd 1H J 55 76 146 | 24 23 ddd 1H J 55 80 147 | 22 22 ddq 1H J 13 39 49 | 18 13 m 14H | 12 11 m 3H | 10 10 m 1H | 10 9 dd 3H J 13 66 | 9 8 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CN1CCC(C(=O)c2ccc(Cl)cc2Cl)CC1
ir: 32 24 11 16 22 8 4 13 18 10 2 10 25 8 47 22 15 8 8 11 11 4 3 9 12 8 9 17 15 22 17 13 11 7 7 13 20 30 13 17 14 5 8 28 21 4 6 12 10 4 17 20 18 35 41 37 20 2 11 16 7 0 8 15 9 4 10 30 14 6 22 24 11 4 16 17 8 3 9 12 4 3 11 16 28 32 18 16 8 21 25 29 6 9 22 15 2 14 26 21 43 11 44 73 56 66 84 87 100 28 66 40 20 26 32 23 10 14 47 20 11 46 23 17 8 12 17 16 11 17 23 17 31 28 24 10 13 33 15 26 23 16 14 6 12 39 37 21 40 43 14 21 24 12 9 9 16 50 58 13 48 16 8 1 6 12 7 2 6 12 7 1 7 12 6 2 7 11 6 2 7 11 5 2 8 11 5 3 8 10 5 3 8 10 4 4 10 13 4 4 9 9 3 4 9 8 3 4 10 8 3 5 10 8 3 5 10 8 2 6 11 7 2 6 11 7 1 6 12 6 2 7 11 6 2 7 11 6 2 7 10 5 2 8 11 5 3 8 10 5 3 9 9 5 4 9 9 4 5 10 9 3 6 10 9 4 5 11 8 4 7 13 10 11 16 22 15 7 14 19 14 10 15 32 35 17 30 66 57 22 11 27 20 4 10 12 6 2 8 10 5 3 8 10 5 3 8 10 5 4 8 9 4 4 9 9 4 4 9 8 3 5 9 8 3 5 9 8 3 5 10 7 3 6 10 7 2 6 10 6 2 6 11 6 2 7 10 6 2 7 10 6 3 7 10 5 3 7 9 5 3 8 9 5 4 8 9 5 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 6 10 7 3 6 10 7 3 6 10 6 2; 1HNMR: 80 80 p 1H J 9 | 78 77 d 1H J 86 | 75 75 d 1H J 21 | 74 73 dd 1H J 20 86 | 38 37 dddd 2H J 9 59 86 123 | 34 34 dddd 2H J 9 59 86 123 | 32 32 p 1H J 59 | 22 21 ddt 2H J 59 86 123 | 20 19 ddt 2H J 59 86 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-n2nnn(C)c2=O)c1COc1cccc(Br)n1
ir: 1 2 3 8 17 10 3 2 2 2 1 3 5 9 5 2 3 2 6 3 2 2 2 1 2 2 2 1 5 3 8 3 18 12 6 13 38 25 3 10 8 3 1 5 9 15 100 38 12 7 3 4 2 0 2 3 1 1 2 2 1 0 2 3 5 2 6 8 13 4 4 3 1 0 2 5 2 44 10 3 6 6 6 4 2 1 1 1 3 2 3 7 6 11 2 2 1 1 2 3 1 6 3 2 1 1 2 4 12 3 11 9 3 1 1 1 1 2 3 2 2 2 2 2 4 8 8 7 2 2 2 1 2 2 14 39 31 69 14 11 24 7 9 33 2 1 1 3 2 1 1 2 4 23 56 40 15 94 7 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 3 2 3 9 8 5 20 59 53 11 3 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 t 1H J 78 | 75 74 dd 1H J 11 68 | 73 72 dd 1H J 68 81 | 71 71 dd 1H J 11 79 | 69 69 dt 1H J 9 81 | 68 67 dd 1H J 12 78 | 54 53 s 2H | 36 36 s 3H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(CC(C)C)C1N1CCCCC1
ir: 5 16 12 17 23 10 17 9 12 13 5 8 46 40 12 12 2 10 12 7 3 2 6 32 2 6 13 19 4 3 4 3 1 2 1 0 1 1 1 2 1 2 4 5 1 2 5 6 6 6 21 7 14 4 8 16 6 3 2 6 22 15 13 3 6 7 7 3 5 4 7 3 3 8 8 5 4 8 2 9 14 8 20 16 3 24 10 5 6 10 6 17 23 10 4 8 5 8 55 22 41 28 29 100 41 17 20 45 30 21 64 15 31 16 19 24 86 49 17 20 5 4 6 5 4 3 1 3 5 14 9 9 4 9 9 10 9 1 3 5 5 2 7 24 50 21 3 1 1 1 1 0 0 0 0 1 1 0 1 0 1 0 0 1 0 0 0 0 1 0 1 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 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 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 10 2 2 5 4 7 12 4 19 17 23 17 37 39 42 13 3 4 2 2 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 40 m 2H | 34 33 t 1H J 80 | 29 28 ddd 2H J 47 63 119 | 28 27 m 1H | 27 26 ddd 2H J 46 64 119 | 24 23 ddd 1H J 63 75 121 | 21 20 m 1H | 18 18 ddd 1H J 63 76 121 | 17 15 m 5H | 15 14 m 1H | 15 14 m 2H | 13 12 m 3H | 12 12 s 1H | 10 9 d 3H J 69 | 9 8 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC=Cc1cccc(NC(=O)c2ccc(Br)o2)c1
ir: 4 1 2 2 4 3 3 2 4 6 3 1 0 2 2 2 1 1 2 1 1 2 2 1 4 3 3 7 1 3 3 5 3 12 4 2 2 3 2 3 6 5 7 14 100 16 5 1 17 20 7 1 2 3 1 1 4 14 24 4 2 3 1 0 3 3 5 4 14 4 1 0 2 3 1 0 1 2 1 1 3 3 2 2 2 3 5 1 2 3 2 8 2 4 5 2 3 3 2 2 4 3 5 9 5 4 2 3 3 2 0 2 3 1 0 1 2 2 5 23 4 1 2 2 7 4 0 2 4 1 1 2 2 8 24 4 5 1 2 2 7 3 17 12 100 6 2 3 12 7 13 7 27 13 12 4 4 6 10 4 3 1 1 9 7 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 3 2 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 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 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 1 2 2 3 4 8 5 20 17 44 27 9 14 16 13 6 2 2 2 3 1 1 3 3 1 2 2 3 2 9 4 4 7 21 12 18 2 2 2 2 1 1 2 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 97 97 s 1H | 77 76 t 1H J 21 | 75 75 ddd 1H J 15 22 73 | 74 73 m 3H | 69 69 dd 1H J 6 135 | 67 67 d 1H J 55 | 62 62 d 1H J 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(O)CN2CCNCC2)ncc1C#N
ir: 2 3 2 2 2 4 7 5 4 4 7 2 9 8 16 13 21 6 10 6 4 3 3 2 2 10 3 17 4 1 2 1 15 3 3 1 2 1 4 4 20 5 4 3 2 3 1 2 2 5 3 6 90 11 8 100 16 14 8 2 2 4 20 2 12 7 13 12 23 5 3 10 14 3 3 4 2 3 4 5 11 5 4 3 3 21 18 5 23 48 10 8 5 2 3 2 2 2 6 2 5 8 2 1 2 3 3 3 6 8 28 3 5 6 7 8 14 29 13 4 4 2 2 3 2 2 2 3 2 30 9 1 1 1 2 3 2 8 4 2 2 1 1 1 2 8 0 2 1 2 1 1 1 0 1 1 1 1 1 1 12 17 11 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 17 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 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 1 1 1 0 0 1 1 0 1 2 1 1 1 2 1 1 1 2 3 3 12 6 3 19 14 4 2 3 2 10 94 14 3 2 1 0 1 1 3 3 2 4 9 33 27 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 91 90 s 1H | 70 70 d 1H J 6 | 50 49 td 1H J 47 54 | 43 42 d 1H J 59 | 39 39 s 2H | 32 31 dd 1H J 49 137 | 30 30 p 1H J 33 | 30 29 dd 1H J 50 136 | 29 28 m 2H | 28 27 dt 2H J 37 123 | 27 27 q 4H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cc(/C=C/C2CC2)ncn1
ir: 8 15 1 2 3 4 3 2 5 3 4 1 2 3 2 1 1 1 1 1 1 3 12 9 4 3 3 5 6 11 6 7 11 10 19 20 37 34 14 10 7 2 2 5 2 1 1 1 1 0 1 1 1 1 1 1 2 1 1 3 2 2 7 6 6 24 14 11 6 3 3 2 1 1 3 6 18 19 6 3 1 1 2 3 6 4 9 5 3 2 3 22 36 4 0 2 3 3 3 2 2 1 1 1 2 2 1 2 1 8 1 1 3 3 2 2 2 1 2 2 2 4 2 2 2 2 3 8 5 4 7 8 6 4 1 3 9 7 100 10 3 3 3 1 2 4 10 9 30 9 27 73 9 9 3 3 3 8 17 23 18 13 4 3 1 11 17 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 6 8 16 26 48 14 13 17 10 10 6 3 2 1 1 1 1 1 1 2 3 2 1 1 1 1 0 2 4 3 28 83 20 8 4 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 s 1H | 85 85 d 1H J 14 | 68 67 d 1H J 15 | 65 64 dd 1H J 18 152 | 60 59 ddq 1H J 8 60 152 | 23 22 hd 1H J 18 57 | 15 14 s 8H | 9 8 m 2H | 6 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1C(=N)N(C)CC1=O
ir: 1 4 5 4 4 3 4 2 0 2 4 2 1 3 4 2 1 3 4 3 2 4 7 16 21 19 22 12 3 11 35 100 33 35 6 3 5 5 4 2 2 4 4 1 2 6 5 2 5 7 12 7 7 7 6 18 9 7 8 3 4 4 7 2 5 5 4 4 10 6 7 3 4 12 6 7 21 21 12 4 4 3 3 2 14 6 17 4 4 4 6 2 7 4 3 2 3 4 1 2 3 3 5 3 6 5 1 7 3 9 6 5 7 3 1 3 5 4 3 7 10 6 13 11 3 5 8 7 2 4 0 4 5 4 8 12 11 8 6 2 2 2 2 2 2 3 3 2 9 14 1 10 37 7 10 4 3 0 2 4 2 0 1 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 3 1 2 4 4 3 5 3 3 1 2 4 4 4 9 12 4 1 2 4 2 1 2 3 2 1 2 3 1 1 3 4 4 53 12 20 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 83 s 1H | 41 41 s 2H | 38 38 t 2H J 70 | 30 30 s 3H | 17 16 qt 2H J 69 79 | 10 10 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2c(S)nnc2C(F)F)c2ccccc12
ir: 1 8 19 7 6 61 11 7 5 4 7 3 7 7 6 3 1 4 5 4 9 18 9 3 2 4 7 13 3 7 4 0 2 3 3 8 12 20 11 2 4 6 18 65 70 67 4 3 20 6 10 46 18 7 7 13 20 5 3 1 3 6 2 0 3 4 4 7 13 22 10 34 14 15 16 12 5 4 1 1 5 19 1 2 4 3 1 3 7 3 1 0 4 6 20 4 5 2 4 4 4 3 0 5 60 81 8 8 11 12 10 6 9 10 6 14 18 7 4 5 4 3 0 4 12 21 0 3 5 5 8 5 9 70 4 6 14 10 10 13 9 2 1 8 4 3 0 5 10 8 81 41 4 4 2 4 2 5 4 3 2 2 25 4 3 1 1 2 2 0 2 3 2 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 3 2 0 1 3 4 4 4 4 4 2 3 3 2 1 2 2 1 1 2 2 2 3 3 4 22 21 2 4 0 0 2 2 0 1 2 2 1 1 3 3 2 2 4 4 2 3 4 2 1 3 4 3 2 5 5 17 6 22 26 57 93 100 24 5 2 5 6 5 1 2 2 2 1 2 2 1 1 1 3 1 0 2 2 0 1 2 2 1 1 2 1 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 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 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 82 m 1H | 80 80 dd 1H J 11 78 | 76 75 m 2H | 74 73 m 2H | 66 66 s 0H | 65 65 s 1H | 27 27 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(COc2ccc(I)cc2)CC1
ir: 2 2 0 2 3 1 1 2 5 2 4 3 5 5 0 1 1 0 0 1 1 1 1 1 2 2 2 1 1 1 1 2 3 3 4 3 2 0 2 4 1 3 3 5 15 6 10 11 3 5 4 5 6 9 52 35 21 12 20 7 23 78 46 29 19 5 9 12 21 12 7 8 13 25 9 4 4 3 2 5 2 3 6 3 2 5 4 3 5 3 4 2 2 2 7 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 3 4 5 14 3 4 4 4 3 3 6 5 7 9 9 11 18 63 67 45 12 6 6 6 2 2 3 1 6 39 3 3 3 2 8 12 7 3 2 1 2 1 1 3 11 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 13 5 4 9 17 14 37 22 7 17 11 8 4 3 4 6 6 8 5 7 5 38 100 13 8 6 8 38 95 57 12 4 6 4 2 3 2 3 1 1 2 2 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 68 68 m 2H | 39 38 s 2H | 33 33 s 2H | 18 17 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.