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DeerEyeRain
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COc1ccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)c(OC)c1
ir: 1 1 1 1 1 4 4 1 1 1 2 1 1 1 1 1 1 1 1 1 1 5 2 1 1 1 2 1 2 3 1 1 1 2 2 1 1 2 2 1 2 6 38 100 2 1 1 1 1 2 2 1 1 1 9 36 7 2 2 1 1 1 1 2 1 2 2 0 11 0 3 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 17 5 5 13 1 0 2 6 2 0 1 1 3 2 5 2 2 0 4 4 1 1 1 2 1 1 1 1 6 2 2 1 1 1 1 1 1 1 1 2 13 1 3 6 1 1 1 13 2 1 1 1 16 6 6 7 20 5 5 12 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 3 4 33 26 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 8 17 11 6 4 2 1 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 91 91 s 1H | 84 83 m 2H | 82 81 d 1H J 23 | 81 81 d 1H J 87 | 77 76 m 1H | 69 68 dd 1H J 23 87 | 66 66 d 1H J 23 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(N)c(OC2CCOC2)c1
ir: 1 6 10 4 10 25 16 21 24 46 24 29 20 12 6 5 7 4 10 4 5 8 10 13 9 8 2 3 3 4 2 2 1 2 4 8 1 11 4 2 1 5 6 2 5 4 4 3 5 5 6 2 12 21 12 19 7 5 3 4 2 4 3 4 7 6 7 3 9 5 4 10 26 12 5 10 10 15 5 4 3 4 1 1 2 2 2 1 2 2 2 2 11 20 12 3 3 5 3 2 3 3 5 10 14 9 3 5 6 5 7 5 3 3 4 11 22 4 6 5 6 4 3 3 7 4 9 7 25 7 3 3 2 1 0 2 2 1 1 2 3 18 8 15 18 6 14 3 3 4 12 11 13 7 24 100 58 18 7 6 3 2 3 9 10 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 3 4 3 1 3 4 4 7 4 7 14 20 13 12 8 3 2 3 1 0 1 2 1 1 1 1 1 1 4 25 34 6 2 2 1 1 2 2 1 4 9 28 59 20 7 4 1 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 76 75 dd 1H J 20 84 | 74 74 d 1H J 20 | 72 72 d 1H J 84 | 50 50 ddd 1H J 26 47 71 | 41 40 m 1H | 40 40 s 2H | 39 39 ddd 1H J 30 50 110 | 39 39 s 3H | 38 37 m 2H | 24 23 dtd 1H J 32 49 139 | 22 21 dtd 1H J 30 46 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C2=CCC(C(F)(F)F)CC2)ncn1
ir: 8 6 4 2 3 2 6 9 9 16 10 4 11 4 1 3 2 1 0 1 1 2 3 4 0 1 0 0 1 3 4 19 3 3 10 30 40 10 6 2 3 3 5 1 1 1 1 3 7 2 1 3 2 3 2 0 4 0 1 2 2 1 4 19 28 21 36 14 5 3 1 2 2 6 10 2 2 2 3 8 1 1 1 1 0 1 1 2 5 10 14 8 5 3 2 2 3 3 6 6 18 32 13 5 1 4 5 7 7 10 15 21 31 17 5 5 7 4 3 7 6 4 14 7 6 5 6 6 9 12 26 22 9 7 10 14 6 8 100 12 8 34 7 2 1 1 0 1 1 0 1 1 3 2 4 28 5 0 2 8 10 9 52 18 4 1 1 1 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 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 5 4 2 3 2 2 4 3 8 3 27 13 9 29 10 8 6 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 14 | 84 84 d 1H J 14 | 64 64 tdt 1H J 9 18 88 | 44 43 q 2H J 64 | 30 29 m 1H | 29 28 m 1H | 25 24 m 1H | 24 23 m 1H | 22 21 m 1H | 21 19 ttq 1H J 25 88 115 | 18 17 tddd 1H J 24 64 90 116 | 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.
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1c(C#N)cnn2cccc12
ir: 11 8 16 7 6 3 6 3 1 3 1 1 4 8 15 10 8 1 1 2 2 1 3 3 2 6 9 4 2 5 7 16 9 39 3 3 1 0 3 9 96 29 38 14 48 26 6 2 2 4 4 2 3 6 1 0 1 3 3 2 4 3 2 2 2 2 3 4 54 6 3 2 6 4 3 3 13 7 4 13 18 14 100 23 19 22 12 20 6 30 24 57 15 4 20 28 13 5 4 11 15 5 4 4 4 3 2 1 3 4 2 2 6 10 3 3 1 5 3 3 4 5 5 6 4 5 15 30 5 7 12 17 11 9 4 31 6 3 1 6 3 6 9 49 15 9 12 3 3 22 9 33 30 38 4 11 87 4 2 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 6 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 3 2 2 2 2 1 6 6 16 30 29 96 21 73 76 44 41 20 5 4 3 4 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 85 s 1H | 83 83 dd 1H J 17 54 | 73 72 m 4H | 73 73 s 3H | 72 71 dd 1H J 53 60 | 39 38 m 1H | 37 36 m 2H | 31 30 dd 1H J 66 106 | 30 30 d 3H J 15 | 28 27 m 2H | 27 26 ddd 1H J 59 84 119 | 22 21 ddtd 1H J 27 37 75 113 | 18 17 ddt 1H J 59 84 121 | 16 16 dddd 1H J 35 58 84 120 | 10 9 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C#N)=C(N)c1ccc(Cl)cc1
ir: 7 6 3 17 5 5 6 3 3 3 2 2 1 3 2 1 1 3 1 2 1 1 1 1 1 1 1 2 1 2 1 2 2 2 2 2 1 3 6 6 4 2 3 2 2 2 1 2 1 1 1 2 2 2 3 13 3 0 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 6 3 1 1 1 2 3 2 2 4 1 1 1 1 1 1 5 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 5 15 3 2 1 1 1 2 2 2 1 2 4 11 67 16 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 7 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 3 2 12 8 5 4 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 4 6 1 1 1 1 1 1 1 1 1 1 20 100 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 74 74 m 2H | 48 48 s 2H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1cc(-c2cc(F)c(C#N)s2)c2ccc(NS(C)(=O)=O)cc21
ir: 3 3 7 5 4 4 7 8 0 3 3 3 2 3 3 2 2 3 3 1 1 3 6 4 3 4 4 2 1 4 5 4 3 4 2 1 2 3 3 1 2 12 7 7 8 6 9 7 6 7 5 4 7 14 10 7 6 4 5 3 3 7 3 1 11 20 3 5 7 23 31 16 8 5 3 2 2 3 4 3 5 8 4 1 4 6 5 20 42 9 4 2 2 2 3 5 21 16 4 15 7 3 10 19 25 4 3 2 2 2 1 4 15 7 18 4 6 3 2 7 7 8 3 6 9 5 2 2 3 3 2 3 4 2 1 2 2 1 1 2 2 1 1 4 3 2 2 7 2 0 1 2 2 1 1 3 14 20 9 2 2 1 6 3 1 1 4 3 1 0 1 3 1 1 1 2 1 0 1 2 1 2 6 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 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 2 4 6 2 2 2 2 1 1 2 2 1 4 3 8 14 7 19 15 6 2 2 2 1 2 3 2 1 2 2 4 4 2 2 1 1 1 2 1 1 1 2 2 2 5 46 100 9 5 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 m 2H | 74 73 s 1H | 72 72 d 1H J 22 | 71 71 dd 1H J 22 79 | 70 70 d 1H J 121 | 46 45 ddd 1H J 42 50 89 | 30 29 s 3H | 14 14 d 7H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(CCO)COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
ir: 11 7 11 19 13 9 3 11 6 12 27 20 14 21 37 40 19 15 40 55 82 34 18 11 6 7 4 3 4 3 4 4 4 3 6 7 5 4 2 3 4 4 5 4 4 5 6 12 4 1 3 9 7 14 48 25 16 11 8 6 7 7 5 9 4 5 4 5 5 21 14 3 3 3 6 5 3 3 9 26 41 12 8 36 13 7 16 18 14 10 50 30 20 34 38 69 11 8 15 7 9 15 9 10 24 26 32 29 1 4 7 5 4 4 11 7 4 18 9 12 14 24 22 13 7 11 5 9 7 6 9 11 10 7 6 6 7 4 3 2 1 4 2 1 2 3 3 3 4 39 41 53 15 25 8 1 1 4 2 0 2 3 2 0 2 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 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 0 1 2 2 0 1 2 2 1 2 3 2 1 1 3 1 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 4 4 5 3 4 7 7 4 7 6 8 4 4 7 6 2 5 20 21 12 20 38 24 14 10 45 75 100 22 12 71 11 3 3 2 2 2 2 3 1 2 2 1 1 2 2 1 2 3 3 1 2 2 2 2 2 3 3 2 2 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 69 68 m 2H | 68 68 m 2H | 43 43 s 1H | 41 41 d 1H J 121 | 39 38 d 1H J 121 | 38 37 dtd 1H J 55 62 118 | 37 36 dtd 1H J 55 62 117 | 36 35 m 5H | 35 34 t 1H J 54 | 33 33 m 4H | 19 19 dt 1H J 62 143 | 17 16 dt 1H J 62 145 | 15 14 s 8H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2c(n(CCOc3cccc4c3CCCC4)c3ccccc23)CC1
ir: 2 6 14 3 12 7 2 1 6 6 6 9 4 10 24 2 2 1 2 2 5 9 2 1 1 1 1 2 11 3 1 2 1 2 3 1 1 3 2 1 5 15 30 39 5 12 5 4 7 20 11 7 1 1 1 4 3 2 5 4 2 3 4 3 3 2 3 4 2 3 9 9 3 2 4 5 1 1 1 1 1 2 3 2 2 1 2 1 1 9 3 8 3 3 3 2 2 3 1 2 4 3 3 4 3 2 1 1 1 4 14 6 9 14 8 6 2 6 5 9 12 7 19 13 14 7 13 13 2 11 6 8 7 7 16 16 4 4 19 4 22 15 4 2 1 3 7 8 3 3 24 89 4 5 2 1 4 38 13 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 1 2 5 3 3 6 8 6 4 3 6 3 3 9 18 22 8 15 100 19 11 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 1H | 74 73 m 1H | 73 72 dd 1H J 15 65 | 72 71 td 1H J 13 70 | 71 71 t 1H J 81 | 68 68 dq 1H J 10 81 | 68 67 dd 1H J 11 82 | 43 42 m 4H | 37 37 t 2H J 62 | 37 36 t 2H J 65 | 30 29 t 2H J 62 | 29 28 ddt 2H J 15 49 68 | 28 27 m 4H | 18 17 m 5H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCc1ccc(Br)cc1)OCc1ccccc1
ir: 1 1 3 3 2 1 2 2 2 1 11 4 5 2 2 1 1 0 1 2 4 2 2 0 1 4 5 1 1 9 9 19 7 5 2 4 5 5 3 3 8 5 6 6 4 3 1 2 4 3 2 6 16 24 11 7 4 1 2 1 2 0 1 1 1 2 3 3 7 6 2 1 0 0 1 1 1 0 5 1 0 1 0 0 1 1 1 1 5 5 2 0 17 7 2 1 3 9 8 5 2 2 2 1 0 1 0 1 1 1 0 2 3 4 4 4 1 2 2 5 4 3 3 8 9 2 2 1 1 1 2 3 1 6 6 26 2 2 2 0 1 2 6 14 54 7 5 3 1 1 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 2 2 2 2 0 1 3 2 9 9 6 22 100 25 14 3 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 8H | 72 72 dt 2H J 9 83 | 51 51 s 2H | 29 28 m 2H | 27 26 t 2H J 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c[nH]c2ncccc12
ir: 3 15 3 2 2 2 3 3 2 2 6 2 2 2 3 3 4 5 4 6 4 1 3 3 0 13 55 24 8 1 11 25 9 5 2 7 5 22 16 100 14 4 9 5 3 0 1 4 2 5 4 2 2 1 2 3 2 1 2 3 3 11 25 9 3 1 5 33 4 1 4 7 5 5 3 3 2 1 3 7 3 2 3 4 3 3 8 25 6 4 5 3 1 1 2 2 3 20 11 4 1 5 4 2 0 2 3 2 0 2 4 3 2 15 6 3 3 40 31 8 4 3 3 3 5 32 27 13 6 5 5 7 1 2 3 1 3 11 19 13 6 11 11 5 4 39 50 11 5 3 13 23 27 44 19 28 29 5 6 5 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 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 2 3 2 3 1 2 2 2 1 2 2 2 2 5 9 10 8 7 19 21 49 25 23 16 12 2 2 1 1 2 2 2 2 2 6 3 3 3 3 2 2 3 13 28 94 22 20 20 18 7 3 2 1 2 2 1 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 87 86 dd 1H J 21 39 | 83 83 dd 1H J 21 76 | 79 79 d 1H J 67 | 74 74 dd 1H J 39 76 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC#CCCCCCCCCCCCl
ir: 25 8 13 6 7 8 7 4 5 3 13 4 9 5 12 8 6 9 4 3 2 2 2 2 3 3 2 2 1 3 4 3 4 5 6 5 13 9 13 12 14 33 9 31 17 5 11 3 8 4 14 3 7 5 7 3 6 5 4 4 3 6 5 5 5 4 2 3 5 3 3 2 4 4 2 1 4 11 6 6 31 24 22 13 7 8 3 3 3 3 2 3 2 4 4 5 3 7 5 13 9 11 11 32 20 23 5 51 18 17 33 38 25 10 11 9 21 9 37 48 29 13 8 6 4 4 5 5 4 4 3 3 4 5 2 5 5 3 1 6 5 2 6 16 19 31 75 45 18 20 9 0 2 4 3 1 1 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 3 6 18 2 3 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 3 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 1 2 3 2 2 3 2 2 2 2 3 3 2 3 3 2 2 2 4 5 7 12 8 10 22 25 31 30 9 13 9 14 12 14 12 25 100 18 13 14 8 5 4 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 92 t 1H J 25 | 36 35 t 2H J 34 | 24 24 td 2H J 25 62 | 18 17 tt 2H J 34 72 | 16 14 m 4H | 14 13 dq 3H J 57 74 | 13 13 m 2H | 13 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc2c(nc1C1CCNCC1)NCCC2
ir: 50 13 12 5 1 6 5 12 10 45 23 25 10 6 7 5 4 8 6 9 6 17 9 8 2 8 6 10 7 9 8 17 8 14 14 17 22 39 40 47 14 7 12 5 7 10 9 7 7 15 22 7 28 41 48 11 16 17 13 8 7 8 4 1 11 23 9 10 10 17 12 3 3 3 4 2 3 4 3 1 3 4 1 1 3 3 1 1 3 9 8 6 13 12 7 12 16 7 3 2 10 10 8 4 6 5 3 6 11 12 70 21 26 29 48 18 65 36 25 11 5 6 10 5 9 8 15 29 23 15 4 6 8 6 6 11 9 4 9 53 51 23 22 17 7 3 2 15 58 46 22 45 53 25 10 1 2 9 87 94 6 0 2 4 2 0 2 3 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 2 2 3 5 3 3 2 6 5 3 5 9 4 3 4 6 6 12 16 7 16 17 11 7 4 2 5 6 3 2 3 7 2 2 6 9 5 3 15 13 15 49 22 16 28 55 77 100 54 14 6 2 4 5 5 3 2 2 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 1 1 2 3 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 72 71 dt 1H J 9 86 | 68 68 m 1H | 52 51 t 1H J 38 | 34 34 m 2H | 32 31 m 2H | 30 29 m 1H | 29 28 m 2H | 27 27 td 2H J 8 75 | 23 22 m 3H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nn1cc(-c2cccnc2)nc1Cl
ir: 2 3 2 2 3 4 3 2 2 2 2 2 3 8 4 3 24 2 2 3 3 2 2 10 3 3 3 2 2 2 2 2 2 3 3 4 3 3 3 2 2 3 2 2 2 8 3 2 2 5 4 8 4 18 78 26 4 0 3 6 6 3 11 16 11 11 29 7 11 5 5 5 6 10 6 7 15 8 8 9 6 4 8 17 7 17 25 26 11 9 4 4 2 6 53 29 2 25 6 4 22 7 3 5 6 3 3 3 3 4 6 4 3 3 3 2 2 3 3 17 28 11 4 6 5 9 5 8 6 7 6 13 32 8 12 17 10 4 4 5 3 5 5 5 5 16 18 13 5 4 4 3 3 4 6 3 3 3 3 2 2 3 3 2 2 3 2 2 4 7 6 2 2 3 2 2 2 3 2 2 2 3 14 4 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 2 2 2 3 3 2 2 2 2 2 3 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 3 3 3 2 3 3 3 2 2 3 2 2 3 3 3 3 3 4 3 4 7 5 5 20 22 23 100 51 19 11 10 7 5 5 5 3 3 4 4 4 6 36 11 3 3 7 4 4 25 11 3 3 2 3 3 2 2 3 3 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; 1HNMR: 89 89 d 1H J 19 | 87 86 dd 1H J 17 48 | 81 80 dt 1H J 18 84 | 75 75 s 1H | 73 73 dd 1H J 48 85 | 61 61 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(SC)=C1C(=O)c2cc(F)ccc2[C@@](C)(CCC(C)C)C1=O
ir: 0 3 6 6 7 3 5 3 3 1 2 1 1 2 2 37 4 1 2 1 1 2 3 4 6 1 1 1 1 8 1 1 1 3 8 1 2 7 10 4 8 3 3 1 12 3 2 1 4 4 3 8 34 100 60 13 6 3 30 13 8 2 9 9 11 0 1 5 29 2 1 1 1 0 1 2 2 6 5 6 1 6 1 0 1 0 1 1 5 14 1 4 4 2 7 1 3 3 3 8 2 4 3 7 2 13 6 5 9 6 6 11 13 10 17 40 20 26 12 21 13 14 5 6 4 5 4 5 3 2 2 6 5 2 2 3 3 0 65 1 1 5 2 2 4 2 2 2 14 34 56 21 7 10 39 39 3 1 1 0 1 1 2 1 1 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 1 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 1 1 1 0 0 1 1 1 2 1 3 2 3 3 3 2 3 4 3 5 4 3 6 13 9 10 14 19 51 47 15 28 26 14 3 2 1 1 1 1 1 0 1 1 1 0 1 2 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 28 122 | 75 75 dd 1H J 44 82 | 73 72 ddd 1H J 27 82 101 | 25 24 s 5H | 23 22 dt 1H J 90 137 | 21 20 dt 1H J 90 137 | 16 15 m 1H | 16 15 s 3H | 15 14 dtd 1H J 62 90 134 | 14 13 dtd 1H J 62 92 134 | 9 8 dd 7H J 63 118
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1cc(F)cc(F)c1
ir: 2 4 7 5 9 11 7 6 4 9 1 6 4 4 12 6 1 3 6 3 3 1 2 3 2 1 1 1 1 2 5 3 1 2 2 1 2 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 3 6 5 2 3 2 3 1 1 1 1 1 1 4 2 5 15 2 2 2 7 1 1 1 1 1 1 2 3 3 20 21 2 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 2 4 1 1 1 1 0 0 0 1 1 1 0 1 1 2 9 7 13 10 12 6 1 1 3 1 3 2 1 1 0 0 1 1 4 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 15 9 3 3 2 1 2 1 2 8 2 0 1 2 1 0 3 31 100 8 1 1 3 7 1 6 11 8 12 2 3 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 1 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; 1HNMR: 92 92 d 1H J 24 | 82 82 s 1H | 73 72 ddd 2H J 11 23 114 | 70 69 tt 1H J 22 121 | 64 64 d 1H J 24
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
ir: 4 5 6 8 9 4 3 9 4 8 6 4 2 4 5 3 1 3 3 2 2 2 2 3 2 4 10 5 2 4 2 1 1 3 4 1 2 4 5 1 2 3 10 27 31 6 3 1 2 3 2 1 3 5 48 100 23 7 4 11 5 4 13 13 6 4 3 2 3 6 4 8 11 8 5 5 4 5 2 1 3 3 1 0 5 6 6 4 20 8 5 3 8 8 4 5 3 1 7 4 3 2 0 1 2 2 3 18 8 3 2 4 5 21 3 13 4 5 3 4 4 3 2 2 3 2 2 4 9 4 3 11 22 19 11 8 8 5 3 17 13 4 9 23 7 7 4 4 7 18 49 12 6 18 19 4 7 78 3 2 2 1 1 4 9 14 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 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 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 3 9 13 3 18 6 39 18 7 3 4 3 1 1 1 2 1 0 2 2 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 dd 1H J 15 100 | 81 81 dd 1H J 14 74 | 78 78 td 1H J 13 70 | 76 75 ddd 1H J 13 70 99 | 71 71 m 2H | 69 68 m 2H | 45 44 q 2H J 63 | 38 38 s 3H | 37 37 s 3H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)OCC
ir: 13 6 30 16 15 6 12 4 9 8 1 5 6 3 2 3 6 4 3 8 13 15 5 4 6 18 5 7 7 3 5 19 10 2 3 5 3 2 4 5 7 5 3 16 47 76 11 13 13 7 3 6 4 1 5 7 5 2 10 7 5 2 3 5 9 12 6 7 4 3 6 4 5 7 9 10 6 5 7 5 1 1 5 26 5 2 4 4 1 3 6 5 3 18 48 14 4 4 11 28 12 4 5 3 0 6 7 4 2 3 7 4 4 10 24 6 11 7 13 17 14 36 31 27 3 5 13 14 13 12 4 3 2 4 4 2 1 5 5 6 7 14 7 9 100 53 15 7 21 23 5 3 4 5 4 3 2 4 3 5 8 3 2 0 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 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 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 4 1 3 6 3 1 2 3 5 3 7 20 18 5 6 11 19 8 4 7 5 3 16 8 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 6 2 4 9 39 34 22 8 5 2 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 79 d 1H J 99 | 79 78 s 1H | 49 49 d 1H J 97 | 43 41 qd 4H J 36 63 | 39 39 s 3H | 13 12 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1cc(C)c(C2CCCCC2)c(OCOC)c1
ir: 3 1 3 3 2 1 0 1 1 1 1 1 1 1 3 2 1 3 1 2 1 1 1 2 1 1 0 1 1 0 1 1 3 1 0 2 2 4 1 1 1 1 1 1 1 3 4 7 8 2 1 1 2 3 2 8 6 9 3 2 1 3 5 7 16 39 9 4 9 18 32 40 100 13 12 7 7 7 7 1 2 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 2 2 4 2 2 1 2 3 4 5 9 10 6 9 5 3 5 3 1 4 2 3 3 2 4 3 4 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 2 3 3 1 1 0 0 0 0 0 0 0 0 1 7 5 1 0 1 2 18 5 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 2 1 2 3 2 3 3 3 8 2 1 4 16 16 10 9 37 38 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 d 1H J 23 | 64 63 d 1H J 22 | 51 50 s 2H | 50 49 s 2H | 35 35 s 6H | 32 31 p 1H J 58 | 23 23 s 2H | 20 19 ddt 2H J 59 80 126 | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
ir: 7 5 6 4 8 2 1 2 2 3 2 4 10 10 3 2 2 3 5 10 7 4 2 3 3 2 4 4 6 7 3 6 13 10 10 11 6 3 9 12 9 9 10 9 7 12 11 4 10 5 8 3 8 4 4 14 9 4 1 1 1 2 1 8 8 4 2 5 7 6 3 3 2 1 1 1 1 1 2 2 1 2 4 5 23 21 4 2 6 6 2 2 2 1 5 10 8 5 14 11 14 25 13 10 15 6 1 1 1 1 0 1 1 1 1 1 2 2 2 3 2 3 4 3 1 7 22 20 9 4 4 2 1 2 2 3 4 1 2 1 1 7 7 14 5 11 4 5 3 9 12 16 8 7 4 3 1 0 1 1 5 0 5 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 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 6 12 68 18 8 4 3 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 3 11 15 8 36 17 38 89 100 13 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 78 78 m 2H | 77 77 m 2H | 74 73 m 2H | 73 72 m 2H | 70 70 s 1H | 70 69 tt 1H J 13 68 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)nc(-c2ccccc2)[nH]c1=O
ir: 2 1 1 2 1 2 1 4 1 1 1 1 0 1 4 3 5 2 4 3 0 1 1 1 7 2 1 0 1 1 5 10 1 4 2 0 0 2 5 2 2 4 26 0 1 4 1 4 52 10 1 4 1 0 11 2 1 4 1 1 1 0 1 1 1 2 24 3 2 2 2 11 2 1 1 5 2 1 1 1 2 2 1 1 1 1 0 1 2 7 2 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 10 1 0 0 1 2 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 2 1 1 13 1 1 33 2 2 1 19 1 6 1 1 14 2 1 5 22 5 2 1 1 0 1 16 1 11 5 11 1 1 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 0 1 1 1 1 1 2 3 4 6 75 7 2 2 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 0 1 0 1 1 2 100 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 3H | 76 75 d 1H J 20 | 75 74 m 4H | 43 42 q 2H J 71 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC/C(=C\C1CC1)C(C)=O
ir: 13 6 0 6 9 5 2 10 19 7 2 5 8 3 3 8 10 5 1 8 17 11 6 10 7 2 2 7 9 6 15 38 43 6 7 11 12 17 5 18 15 6 12 11 14 5 10 10 6 1 4 9 5 2 5 9 4 1 5 10 5 1 5 15 14 3 17 18 7 27 33 20 7 12 9 8 4 2 7 8 3 1 6 7 3 4 9 17 14 3 7 5 6 5 11 9 5 7 22 8 3 4 7 6 5 6 8 8 41 36 15 16 8 11 22 7 5 8 18 21 10 19 16 10 25 100 47 17 4 10 16 6 6 6 8 5 16 38 43 25 79 41 18 16 22 27 23 6 5 13 17 22 9 9 5 3 7 16 7 1 3 7 4 0 4 8 4 1 3 7 4 0 4 7 3 1 4 7 3 0 4 7 3 1 4 6 3 1 5 6 2 1 5 6 2 2 5 6 2 2 5 5 2 2 6 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 7 4 1 3 7 4 0 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 2 3 7 6 5 6 8 5 4 8 13 12 8 6 8 16 31 67 29 51 37 37 39 12 10 10 26 7 2 5 7 4 2 5 7 4 4 6 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1; 1HNMR: 65 64 dtt 1H J 8 15 58 | 25 24 ht 1H J 11 59 | 24 23 tt 2H J 12 82 | 23 22 s 2H | 15 14 m 2H | 14 13 m 2H | 9 9 t 3H J 73 | 8 7 m 2H | 6 5 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)C1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1
ir: 7 7 8 9 47 11 18 7 8 11 13 13 2 5 10 3 8 7 10 9 16 45 100 21 9 4 2 4 6 3 11 3 3 2 2 1 3 3 4 6 22 0 2 3 2 2 1 3 2 1 1 2 2 1 2 2 2 2 3 4 2 3 3 3 4 3 6 3 7 5 2 2 4 3 4 5 5 6 17 19 7 1 3 3 2 2 5 6 3 20 5 3 1 2 4 2 6 5 10 4 1 3 4 2 2 2 3 2 4 9 39 7 5 5 12 10 7 9 21 21 7 5 5 4 3 3 4 8 7 5 10 6 4 3 10 17 17 7 3 4 3 3 7 14 17 19 6 6 5 1 10 32 2 5 2 0 1 3 2 0 1 3 1 0 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 4 3 3 3 2 3 3 4 3 12 27 7 6 47 11 6 4 3 3 1 3 4 31 50 5 3 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H | 52 51 s 2H | 39 38 ddd 2H J 39 67 130 | 35 34 ddd 2H J 38 66 130 | 25 24 ddd 2H J 39 67 134 | 22 22 ddd 2H J 38 66 132 | 15 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)OP(=O)(OCCN)OC(C)(C)C
ir: 25 15 16 10 7 4 2 9 7 5 1 2 8 4 1 1 1 4 8 1 1 0 0 1 1 0 0 0 0 0 0 1 2 8 11 3 4 4 1 1 1 0 0 1 2 1 1 6 4 10 2 1 15 25 7 3 2 1 4 5 37 18 24 12 6 5 18 9 24 2 2 4 28 6 4 3 2 4 60 63 100 22 5 17 17 1 1 1 2 1 0 0 1 3 7 9 4 7 7 4 1 3 8 35 8 2 1 1 1 1 0 0 1 1 2 1 2 2 4 5 9 19 4 1 1 1 2 6 13 27 32 8 4 5 7 49 97 27 4 2 2 1 1 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 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 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 1 1 1 1 0 0 1 1 1 1 4 2 0 1 1 1 0 0 0 1 0 5 14 26 9 2 0 1 0 0 1 0 0 0 0 0 0 0 3 16 21 21 35 11 1 2 2 2 33 15 1 1 1 2 3 2 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 0 0; 1HNMR: 41 41 dt 2H J 48 85 | 32 32 tt 3H J 48 64 | 20 19 t 2H J 65 | 14 13 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1n[nH]c(C)c1Oc1ccc(Cl)cc1
ir: 5 2 1 2 5 5 15 18 6 11 12 2 5 4 2 2 2 2 1 2 2 1 1 2 2 2 3 7 5 3 4 5 3 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 7 28 23 9 4 4 67 24 6 4 3 5 2 1 10 7 3 2 3 5 15 11 6 4 2 1 2 2 1 0 2 2 1 1 2 2 1 2 6 10 12 2 3 2 0 1 3 38 33 17 12 3 2 2 2 3 4 35 17 49 23 7 3 2 2 2 3 4 8 12 5 5 2 2 4 3 8 3 5 2 1 2 2 2 1 47 26 2 1 2 3 1 1 9 46 4 7 6 100 43 8 19 5 28 20 15 4 3 1 2 2 0 2 10 2 1 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 0 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 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 3 3 3 2 1 2 3 2 1 2 6 3 2 4 18 11 43 59 61 41 13 17 7 6 6 8 3 2 1 2 2 1 1 2 3 2 1 2 2 1 1 2 3 20 41 38 10 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 95 95 s 1H | 74 73 m 2H | 70 69 m 2H | 22 22 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.
CC(=O)c1cc(F)ccc1OCCBr
ir: 0 5 4 1 1 2 3 1 0 3 4 3 1 3 4 1 1 2 3 2 8 4 7 3 3 9 12 6 4 2 3 2 2 2 2 2 2 5 4 2 3 4 6 1 1 2 2 1 1 3 2 0 3 18 23 4 4 3 2 1 2 3 3 5 5 10 15 66 22 6 6 4 3 4 2 2 4 6 4 1 2 2 1 1 2 2 2 3 5 3 2 13 3 2 2 2 2 2 1 1 3 3 8 5 19 7 5 4 3 4 1 2 2 3 4 4 5 7 11 6 9 3 12 17 3 4 4 8 100 16 3 3 3 3 2 14 10 3 3 2 3 2 2 2 3 7 27 27 4 6 6 57 7 6 8 5 3 1 1 2 1 1 5 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 3 2 3 3 4 2 4 4 4 1 3 5 4 8 17 18 36 96 42 6 3 4 2 2 5 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 dd 1H J 27 121 | 72 71 ddd 1H J 27 88 101 | 70 69 dd 1H J 47 89 | 44 44 t 2H J 35 | 37 37 t 2H J 35 | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1cc(F)cc(F)c1)(c1cc(F)cc(F)c1)c1c[nH]cn1
ir: 3 1 2 2 2 1 1 1 2 2 1 3 4 1 1 2 1 1 1 1 1 1 1 1 1 6 6 2 1 7 17 4 4 2 3 10 11 1 4 8 5 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 4 4 3 0 6 4 4 12 65 35 22 13 6 2 2 3 4 4 9 5 7 9 7 3 2 2 2 1 3 3 13 49 12 3 3 2 3 7 23 11 3 4 11 3 3 8 27 7 11 2 2 3 10 8 0 4 8 4 5 13 26 19 11 6 4 2 2 2 4 10 4 34 6 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 4 3 1 2 1 0 1 3 22 8 16 25 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 3 2 2 4 4 3 87 100 20 44 8 9 10 6 3 31 5 4 89 30 13 4 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 77 77 dd 1H J 16 46 | 72 72 dd 1H J 16 46 | 70 70 dd 2H J 10 20 | 70 70 dd 2H J 10 23 | 70 69 tt 2H J 21 121 | 65 64 t 1H J 46 | 53 53 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(CC(F)(F)Br)CN1CO
ir: 3 4 7 8 10 24 13 13 12 22 10 6 8 8 2 8 5 16 16 7 13 6 23 14 5 3 4 4 6 2 1 1 2 1 1 1 2 9 1 2 2 1 1 2 2 2 2 3 1 2 2 1 2 5 4 4 5 6 7 7 4 7 6 2 4 4 4 4 7 5 4 2 2 4 2 3 9 5 4 23 16 9 16 18 12 5 8 15 21 11 16 25 16 8 7 7 8 8 6 8 2 6 3 2 2 2 3 11 13 17 2 2 1 2 4 3 2 11 9 13 3 4 17 13 6 5 2 3 2 5 16 13 10 1 2 4 1 1 1 1 1 1 1 1 1 1 1 2 19 100 11 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 6 6 6 3 2 3 4 9 4 5 4 30 3 1 2 3 1 3 7 7 15 50 7 4 3 2 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 54 54 t 1H J 59 | 50 50 dd 1H J 59 108 | 48 47 dd 1H J 59 108 | 39 38 dd 1H J 34 112 | 37 36 dd 1H J 34 112 | 28 26 dtd 1H J 70 126 178 | 26 25 dd 1H J 51 145 | 25 24 dtd 1H J 71 126 179 | 24 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(O)=CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
ir: 0 0 0 0 0 0 1 1 1 2 1 1 3 2 5 4 14 3 1 1 1 2 0 4 6 9 100 11 7 4 4 6 2 3 1 1 2 2 2 2 9 4 5 2 2 3 0 0 1 1 0 0 1 7 30 9 2 1 1 1 1 0 0 0 0 1 1 1 2 2 1 0 4 2 3 3 4 2 7 17 4 3 2 6 3 1 1 1 2 9 2 0 1 0 0 1 2 3 4 10 4 1 1 1 1 1 0 1 2 1 1 2 5 1 0 0 0 0 0 1 1 2 3 1 1 2 1 7 6 2 2 1 4 4 5 13 1 7 3 3 2 1 1 10 9 2 1 1 2 1 1 2 4 5 50 0 0 1 1 0 0 1 1 2 4 10 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 4 3 30 6 5 3 3 3 3 61 4 2 3 7 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; 1HNMR: 85 84 d 1H J 11 | 74 72 m 12H | 62 62 s 1H | 52 51 d 1H J 20 | 52 51 s 1H | 50 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)nnc1NS(=O)(=O)c1cc(F)cc(C#N)c1
ir: 10 8 9 11 7 19 8 11 7 10 8 23 15 10 12 15 16 7 6 7 7 7 6 7 7 6 6 8 13 7 21 9 7 9 9 32 8 11 10 14 10 12 16 13 21 17 24 13 26 39 62 34 25 20 17 17 17 13 7 8 7 6 8 12 26 39 83 39 22 10 9 7 7 6 7 7 7 6 7 7 6 7 7 7 11 62 9 11 15 36 18 30 23 11 10 17 26 22 12 10 41 18 10 8 6 6 8 7 7 8 13 15 9 13 11 9 48 10 12 9 7 8 12 7 1 79 0 25 9 11 10 18 40 11 7 9 8 6 6 7 7 7 14 46 9 8 8 13 9 6 6 8 7 7 6 7 8 8 14 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 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 6 6 6 6 6 6 6 6 6 7 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 6 6 6 6 6 6 6 6 6 7 7 8 9 10 41 42 21 14 10 11 7 6 7 7 6 6 7 7 6 6 6 7 7 6 7 7 6 6 7 8 7 12 25 100 13 10 7 7 7 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; 1HNMR: 94 94 s 1H | 81 80 t 1H J 22 | 78 77 dt 1H J 22 121 | 75 75 dt 1H J 22 121 | 71 71 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)c1cc(NC(=O)C(C)(C)C)c(F)cc1Cl
ir: 5 4 6 2 2 4 7 16 8 12 5 4 2 2 1 2 1 4 6 3 7 5 2 2 3 4 3 1 2 3 2 2 2 2 3 9 14 5 10 36 57 10 6 5 4 2 2 2 2 2 2 2 1 1 1 0 5 3 2 2 4 9 18 5 3 2 24 10 22 23 10 1 2 2 2 6 2 3 3 2 5 3 3 37 2 1 2 1 2 2 2 2 2 7 4 3 4 2 2 3 10 9 2 2 22 7 4 4 3 2 2 2 2 2 3 2 4 2 18 5 5 7 2 4 3 4 4 14 8 11 15 6 4 3 20 6 3 4 16 4 3 2 2 2 2 5 26 6 7 100 7 7 16 13 4 3 2 1 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 2 2 2 2 1 2 2 2 1 3 2 5 12 18 8 7 21 13 3 4 2 3 1 2 1 1 1 1 1 1 2 2 1 3 2 2 4 6 4 8 10 37 4 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 d 1H J 31 | 84 84 d 1H J 46 | 74 74 d 1H J 121 | 50 49 p 1H J 58 | 14 13 d 7H J 59 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2nc(-c3ccccc3)c(C)n2c1O
ir: 4 3 6 3 5 13 11 8 3 3 4 3 4 5 10 15 10 4 5 5 5 4 3 3 2 3 3 3 4 8 4 3 5 8 4 20 30 18 27 25 81 16 22 33 11 5 4 3 3 3 4 3 3 3 3 2 3 4 9 9 4 3 3 4 4 3 3 7 19 5 4 5 6 4 7 5 5 3 5 6 5 5 4 3 5 18 47 8 11 16 8 5 3 3 3 8 16 6 5 4 2 8 17 8 4 4 44 30 11 43 33 5 7 6 8 5 6 7 1 7 30 8 5 6 8 7 9 6 9 18 4 3 3 4 6 6 3 66 10 2 16 4 1 6 5 7 23 7 5 4 5 6 7 3 5 24 20 1 5 26 97 21 4 0 2 4 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 4 2 3 3 2 2 2 2 3 2 3 4 3 2 3 3 3 3 3 3 4 5 4 8 11 8 28 40 12 12 60 100 28 5 4 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 s 1H | 77 76 m 2H | 75 73 m 3H | 44 43 q 2H J 71 | 28 28 s 3H | 14 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(OC)cc2nc(-c3ccc(OC)cc3)oc12
ir: 2 1 2 1 2 1 2 2 2 2 3 1 2 3 4 7 13 19 2 4 3 3 4 5 7 3 1 1 2 1 1 2 3 6 3 2 2 2 1 4 1 1 1 1 1 1 1 1 2 0 1 2 2 3 4 9 6 2 4 1 4 4 6 5 3 12 24 16 14 10 6 4 2 3 3 2 1 1 2 2 3 1 1 1 1 1 1 2 6 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 1 4 2 1 1 1 1 0 1 6 1 0 10 3 6 3 3 3 4 3 7 2 4 3 14 4 3 2 1 0 3 24 77 7 9 6 1 1 0 1 1 1 1 2 6 9 7 4 1 2 1 1 6 3 0 1 2 8 4 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 3 2 1 3 5 7 5 8 100 16 9 6 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 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 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 2H | 71 71 d 1H J 22 | 70 70 m 2H | 69 68 dt 1H J 9 20 | 38 38 d 6H J 42 | 30 29 qd 2H J 8 70 | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccnc2c1CCCN2
ir: 8 10 3 6 3 2 2 6 1 1 1 1 1 2 3 9 12 10 1 3 2 2 1 1 1 9 1 1 1 1 1 1 1 1 1 4 6 9 6 1 1 2 1 1 3 7 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 6 1 1 3 1 1 0 3 12 2 4 8 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 8 7 1 1 1 1 1 1 1 1 2 1 3 2 2 1 1 1 1 3 1 1 1 2 3 1 1 1 6 2 2 2 1 1 3 1 1 1 1 2 2 7 28 10 4 1 4 1 0 3 13 6 2 2 1 2 6 8 8 6 100 7 10 0 3 21 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 3 24 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 2 4 4 64 19 12 58 9 6 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 38 | 69 69 d 1H J 38 | 60 60 t 1H J 38 | 35 34 m 2H | 31 30 t 2H J 75 | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
ir: 3 5 3 5 3 3 6 4 7 5 8 15 10 6 7 4 2 10 6 4 2 7 7 8 4 5 12 2 6 26 100 21 11 8 3 3 4 4 2 2 2 7 2 3 2 4 11 48 7 5 4 1 3 17 9 4 2 1 5 3 3 1 3 1 2 2 5 14 5 16 5 1 3 1 2 1 2 2 2 4 17 9 3 1 6 38 10 4 2 2 3 4 3 5 1 1 1 1 3 3 4 7 25 8 5 4 4 2 2 2 2 6 24 20 5 5 2 4 2 5 5 3 4 6 9 4 4 4 2 1 2 1 2 3 3 2 3 1 3 3 6 16 4 14 10 26 18 7 10 17 5 1 5 5 4 15 3 2 2 1 2 6 1 0 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 1 1 1 1 1 2 2 1 2 2 1 1 3 2 9 8 7 22 18 5 3 2 2 2 2 1 1 0 1 0 0 0 1 1 1 1 1 3 4 7 6 14 78 30 15 12 5 3 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 17 | 75 74 d 1H J 80 | 73 72 t 1H J 82 | 71 71 ddq 1H J 10 20 82 | 69 69 ddd 1H J 13 22 81 | 68 68 m 2H | 68 67 dd 1H J 21 80 | 66 65 t 1H J 53 | 51 51 d 1H J 81 | 42 41 t 2H J 45 | 38 37 dddd 1H J 34 52 69 86 | 36 35 m 2H | 35 35 dt 2H J 44 53 | 29 29 dd 1H J 34 116 | 28 27 m 1H | 27 26 m 2H | 20 19 m 1H | 19 18 s 3H | 18 17 m 1H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
ir: 5 3 2 1 3 1 3 2 3 2 1 1 2 1 1 2 2 1 1 1 3 1 1 2 2 1 0 2 2 0 1 2 2 1 2 2 1 1 1 2 2 1 1 2 3 18 30 20 4 1 1 1 1 1 6 3 1 0 1 2 1 1 1 2 1 0 1 2 3 5 4 3 2 1 2 1 3 3 4 3 4 13 14 8 1 2 2 2 1 1 2 3 1 11 12 2 2 1 1 25 1 1 2 2 1 1 2 1 0 1 3 1 1 2 2 2 0 13 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 4 8 3 2 2 4 3 12 2 3 5 3 2 1 2 5 5 3 3 2 4 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 2 3 2 25 10 4 3 3 2 2 35 100 7 0 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 85 t 1H J 9 | 83 82 dd 1H J 13 82 | 80 80 dp 1H J 13 115 | 76 76 dd 1H J 82 114 | 74 74 ddd 1H J 12 20 75 | 74 73 dd 1H J 76 82 | 72 72 t 1H J 21 | 69 68 ddd 1H J 13 21 82 | 58 57 s 1H | 28 27 qd 2H J 8 77 | 13 12 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(CCC(=O)c2ccccc2)cc(C(C)(C)C)c1O
ir: 7 4 5 3 7 6 9 3 5 3 5 2 1 2 2 2 2 2 5 9 8 25 17 6 4 5 4 5 8 13 12 19 39 11 10 3 2 7 13 10 65 60 19 17 10 5 8 3 2 3 2 3 2 1 1 1 2 2 2 7 7 6 7 16 9 32 8 1 17 14 11 3 8 4 2 4 4 12 13 17 30 23 46 3 3 6 1 5 5 4 19 27 6 14 11 8 4 2 5 7 6 44 3 2 4 2 3 7 4 3 2 5 3 3 23 8 2 8 7 9 9 17 5 9 5 13 9 5 5 10 18 5 9 12 38 9 22 9 5 9 14 41 88 15 11 13 2 5 1 15 2 2 2 0 1 2 1 0 1 2 2 1 1 2 2 3 5 3 2 1 2 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 1 0 1 3 1 1 1 3 3 8 2 3 3 5 3 3 3 2 3 4 10 7 23 26 33 100 19 12 6 1 5 7 6 33 33 12 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 75 m 2H | 70 69 t 2H J 9 | 47 47 s 1H | 33 32 t 2H J 81 | 29 29 tt 2H J 11 80 | 14 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cccc(S(=O)(=O)Cl)c1
ir: 0 2 2 2 1 2 3 3 9 5 20 20 2 1 2 2 13 16 6 1 0 17 65 4 8 2 2 1 1 2 3 13 53 7 1 2 2 1 1 1 1 1 2 2 1 2 10 47 3 2 2 2 1 1 2 1 2 2 1 1 1 2 2 14 17 6 8 2 4 2 2 1 1 1 2 2 2 2 3 13 6 4 6 7 62 2 15 25 5 3 1 1 2 2 1 8 9 2 3 5 7 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 2 3 6 8 8 8 9 3 27 9 2 6 12 7 3 2 1 1 1 2 1 2 9 10 10 3 2 2 1 2 2 1 1 1 1 3 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 2 3 2 4 4 7 9 6 9 100 20 3 3 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 ddd 1H J 12 22 82 | 78 78 td 1H J 9 21 | 75 74 t 1H J 80 | 73 73 ddt 1H J 9 20 79 | 30 30 m 1H | 13 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2c(cc[n+]1[O-])OCO2
ir: 7 4 1 4 7 4 1 5 6 4 3 4 17 3 1 5 6 3 3 9 7 5 3 12 7 2 2 7 28 50 4 9 14 100 21 6 4 3 3 5 4 2 3 5 4 1 3 5 4 1 3 6 4 2 7 10 5 1 4 6 4 3 5 9 23 9 13 8 6 6 16 10 5 2 4 6 3 3 5 5 5 20 13 8 3 2 5 4 2 9 8 6 3 3 5 4 13 8 6 4 2 3 5 4 2 3 6 8 3 5 5 4 2 4 5 4 3 5 7 5 3 5 8 5 4 4 25 8 3 5 6 4 3 4 5 3 3 4 4 3 3 6 4 16 10 6 9 5 3 4 4 49 6 13 6 0 3 7 5 0 26 22 5 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 5 4 2 2 4 4 2 3 5 6 4 4 6 5 2 5 6 5 3 6 8 6 3 9 6 23 51 11 27 23 18 5 6 5 2 5 5 4 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 49 49 s 2H | 44 44 d 1H J 62 | 40 40 d 1H J 62 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=O)c1c(F)cc(C(C)(C)C#N)cc1Br
ir: 1 2 4 1 1 5 6 2 0 3 4 2 1 3 3 1 0 3 4 2 1 3 4 3 4 16 57 57 6 2 4 3 3 12 15 15 12 17 7 6 8 17 15 20 4 4 2 1 2 3 2 0 1 3 2 0 4 7 3 2 3 8 4 6 4 5 16 11 6 10 6 1 3 3 2 0 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 4 3 4 7 4 1 3 3 2 1 2 3 2 0 2 3 2 1 1 3 2 3 11 3 2 3 11 13 7 0 3 4 3 2 3 6 12 8 9 7 3 14 5 3 1 1 2 3 6 19 23 14 20 59 56 9 5 20 3 3 1 1 12 13 2 2 4 3 3 27 6 2 0 1 3 2 0 2 3 2 0 1 3 1 0 2 10 8 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 2 1 3 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 5 5 3 3 2 1 1 2 2 2 2 6 5 5 15 8 15 45 34 5 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 2 2 3 6 49 100 21 4 2 2 3 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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: 76 76 d 1H J 22 | 72 72 dd 1H J 22 121 | 71 71 s 1H | 18 17 s 6H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Cl)ccc1SC1CCCC1
ir: 7 6 7 6 6 12 8 6 6 8 8 23 12 9 6 18 18 7 7 5 5 7 7 6 5 7 9 5 5 7 7 4 18 9 6 5 6 8 19 12 19 21 10 11 8 7 8 6 6 7 7 6 8 21 100 40 7 11 11 12 9 9 9 10 7 7 25 43 36 15 7 6 6 7 6 6 6 6 7 6 6 6 6 6 9 11 7 8 10 8 29 34 7 7 7 7 8 6 13 15 21 17 10 7 8 8 8 11 19 15 16 12 11 18 14 10 11 7 0 43 14 10 18 6 6 7 8 6 6 6 7 6 6 6 7 6 5 11 47 36 7 6 5 6 6 5 8 20 10 7 11 39 19 9 7 7 6 6 8 8 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 7 6 4 20 4 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 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 8 9 13 15 11 7 10 17 19 9 41 29 10 20 74 58 7 11 7 6 9 8 7 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 5 6 6 6 6 6 6 6 6 6 6 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; 1HNMR: 76 75 d 1H J 22 | 75 74 dd 1H J 21 71 | 74 73 d 1H J 68 | 33 33 p 1H J 37 | 20 19 m 2H | 18 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccccc2CCc2ccccc21
ir: 6 4 1 3 4 3 1 4 6 5 6 5 5 2 2 4 8 4 4 6 8 24 5 4 5 4 6 4 4 5 9 8 5 11 6 9 10 7 33 29 20 18 79 31 13 0 3 5 4 4 4 5 3 0 3 5 2 0 2 5 2 0 3 5 2 1 3 4 4 3 4 5 2 2 5 5 2 1 3 4 2 2 5 5 4 2 4 4 2 11 8 7 5 4 7 8 2 3 4 4 4 14 9 4 1 2 5 3 2 4 5 4 3 3 6 3 1 4 7 5 6 4 4 2 2 7 9 13 23 8 8 2 3 4 5 3 2 11 11 4 5 7 10 6 4 5 4 4 21 11 4 9 21 25 6 16 18 6 8 13 17 12 4 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 4 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 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 3 3 1 2 4 3 1 3 4 3 1 3 5 3 1 4 8 8 11 47 100 65 23 7 4 3 3 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 7 38 39 31 5 7 6 3 3 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 91 90 s 1H | 78 77 dd 1H J 19 76 | 77 77 dd 1H J 14 80 | 74 73 m 3H | 72 72 td 1H J 17 76 | 72 71 ddt 1H J 9 18 80 | 70 70 m 1H | 32 31 m 2H | 31 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(/C(=N\OC2CCCC2)C(=O)Nc2nccs2)cc1Cl
ir: 6 3 3 3 5 17 3 5 6 3 2 1 4 2 6 4 2 2 1 4 4 3 3 1 1 1 2 3 3 1 2 1 1 2 4 2 100 7 1 3 2 2 1 2 2 0 4 3 1 1 1 2 1 1 3 3 4 3 2 3 1 1 1 1 1 5 21 12 5 2 1 1 1 1 1 2 1 0 1 1 5 11 2 5 8 12 6 6 13 73 11 9 12 8 4 11 0 1 2 3 2 1 1 2 7 2 3 3 4 5 4 3 4 12 5 2 1 1 2 1 1 2 4 8 12 4 3 2 1 3 4 1 1 1 1 5 2 2 4 14 2 1 1 1 1 3 1 0 0 1 0 0 3 1 1 0 0 0 0 0 0 0 0 0 0 1 1 11 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 2 0 1 1 1 2 3 2 1 1 2 1 2 3 8 40 9 6 10 7 5 3 2 1 1 1 0 1 1 0 0 1 0 0 0 1 1 1 1 1 2 2 3 7 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 88 | 79 79 m 2H | 75 75 d 1H J 44 | 72 71 d 1H J 46 | 43 42 m 1H | 33 32 s 3H | 21 20 m 2H | 19 17 m 5H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)NC1C(C)(C)CSC1(C)C
ir: 1 1 1 1 1 2 2 2 3 1 1 1 1 12 10 5 1 4 7 14 12 26 18 6 5 6 3 6 7 3 5 7 3 7 8 2 2 5 7 10 15 7 8 7 5 3 4 2 1 2 1 1 2 2 1 2 5 0 2 2 3 3 7 8 6 2 2 3 5 5 5 5 4 3 5 18 10 17 32 31 22 7 10 7 9 4 3 2 2 1 1 1 1 3 1 4 3 2 1 1 1 1 1 1 1 1 1 3 3 12 5 1 0 1 1 1 2 2 3 5 7 10 5 9 6 6 10 3 7 4 4 6 7 15 13 8 3 2 1 3 3 2 4 55 49 77 11 8 5 3 3 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 1 0 0 1 0 1 0 0 1 0 1 1 1 1 1 1 0 0 1 1 1 1 2 3 1 1 1 2 3 2 3 6 2 3 4 5 15 3 1 2 1 0 1 1 1 0 1 3 40 20 5 2 2 2 5 18 12 3 3 6 16 100 17 29 16 8 3 3 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 79 | 67 66 d 1H J 84 | 58 57 d 2H J 60 | 42 41 dq 1H J 57 79 | 41 40 m 2H | 29 28 m 2H | 28 27 d 1H J 137 | 26 25 dd 1H J 67 182 | 14 13 d 3H J 14 | 13 13 d 3H J 14 | 11 11 d 3H J 55 | 11 10 d 3H J 16 | 10 10 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)Oc1cccc(NCCc2ccc(C(F)(F)F)cc2)c1
ir: 6 12 20 22 18 9 22 6 14 14 9 8 6 6 6 11 8 7 13 4 4 4 5 4 4 4 4 4 4 4 6 6 4 4 5 4 6 4 4 3 3 3 4 3 3 5 6 42 8 5 5 3 5 15 18 13 8 6 4 5 7 6 5 4 9 14 18 14 7 9 9 5 5 10 26 16 9 8 5 5 13 5 5 3 4 7 7 3 4 4 6 4 4 12 6 5 4 5 15 29 23 4 5 10 7 4 5 4 2 5 17 5 100 10 0 4 8 4 3 4 7 11 4 7 5 5 11 10 7 5 5 7 5 4 3 4 5 7 6 5 4 4 5 12 12 9 4 4 18 6 4 4 5 6 4 5 27 8 4 5 4 4 6 16 15 4 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 4 4 3 5 7 4 6 16 58 17 6 5 4 7 4 4 4 4 4 3 4 4 4 4 4 4 3 4 4 7 6 25 54 28 10 7 4 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4; 1HNMR: 76 75 dq 2H J 14 73 | 72 71 m 3H | 69 68 ddd 1H J 12 22 82 | 66 66 s 0H | 64 64 ddd 1H J 13 22 79 | 61 61 t 1H J 21 | 56 56 t 1H J 46 | 35 35 q 2H J 51 | 30 29 tt 2H J 9 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=COC(=O)C(C)(C)OC
ir: 10 4 9 10 26 30 9 6 4 5 8 45 15 19 55 67 9 8 15 17 7 3 3 2 1 1 1 2 1 6 3 2 2 3 2 0 0 2 2 1 1 6 4 3 1 2 1 0 1 1 1 0 1 3 6 13 7 3 3 12 9 5 3 2 5 4 9 15 18 28 49 31 13 3 2 3 1 2 0 2 3 4 1 11 29 39 14 10 5 2 2 2 4 12 4 4 8 35 19 17 21 9 3 5 7 4 1 2 2 1 2 1 1 1 9 54 42 14 33 19 18 9 8 2 3 2 1 8 22 54 19 2 1 1 1 1 2 2 3 6 19 100 96 14 72 70 18 1 3 2 1 1 1 1 1 0 0 1 2 4 7 9 3 1 1 1 0 0 0 0 1 0 1 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 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 1 0 1 1 1 1 0 1 1 1 1 1 6 5 1 1 1 1 1 1 2 3 35 12 13 16 49 28 31 19 18 10 14 12 44 14 2 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 97 150 | 49 48 dd 1H J 30 96 | 47 46 dd 1H J 29 150 | 33 33 s 3H | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C=CC=C2CCNCC2)c1
ir: 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 3 3 1 3 4 3 4 4 2 1 4 5 2 3 5 12 21 8 0 3 3 1 2 1 2 2 2 2 2 8 9 6 10 6 4 5 5 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 3 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 5 10 9 10 6 4 4 13 8 3 3 2 2 1 2 1 0 2 4 2 6 13 4 2 1 2 2 2 2 4 4 4 6 5 3 1 1 1 1 3 3 1 1 1 2 1 1 5 6 2 1 1 2 3 2 1 1 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 5 6 3 9 6 11 3 2 1 1 1 1 1 1 1 1 1 2 2 2 3 7 5 27 100 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 2H | 70 69 m 1H | 69 69 m 1H | 69 68 m 1H | 67 67 m 1H | 60 60 ddq 1H J 9 18 84 | 38 38 s 2H | 29 28 q 4H J 39 | 24 24 tt 4H J 10 37 | 22 21 p 1H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1sc(Nc2ccccc2)nc1-c1ccncc1
ir: 7 2 5 13 24 15 11 2 1 2 1 1 1 1 2 2 5 11 7 3 3 2 2 1 0 1 1 1 1 3 4 4 3 0 1 1 2 1 1 2 5 46 10 2 2 1 1 1 1 0 0 2 3 0 1 1 1 1 3 2 1 0 2 1 2 1 2 4 5 1 1 1 1 3 4 2 1 1 5 1 1 1 1 12 39 12 17 14 11 2 2 6 11 7 2 2 3 1 1 1 1 1 3 2 1 9 5 3 1 1 3 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 0 11 8 4 2 1 0 0 1 1 1 4 7 100 24 3 2 2 0 1 45 4 1 1 0 0 1 2 33 3 2 1 0 0 6 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 0 1 0 1 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 3 14 29 14 9 12 10 4 2 5 91 5 1 1 1 1 1 0 1 0 0 1 2 1 2 2 21 37 13 4 2 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 87 86 m 2H | 77 76 m 2H | 76 75 m 2H | 73 73 m 2H | 69 68 tt 1H J 12 70 | 48 48 d 2H J 57 | 36 35 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=CC(=O)Cc1ccc(C(F)(F)F)cc1
ir: 1 2 2 2 2 3 4 12 9 6 2 2 2 3 15 14 25 4 5 18 3 4 14 21 10 14 10 10 13 17 9 6 5 2 1 2 3 4 1 2 1 2 1 1 1 2 1 1 1 2 2 1 19 8 5 5 7 27 23 75 6 0 2 2 3 2 7 6 26 35 17 4 2 1 2 2 2 2 4 4 14 40 16 1 3 11 7 1 4 4 7 4 3 2 1 2 3 3 36 72 2 5 3 2 0 1 2 2 1 2 3 5 100 13 7 3 2 2 2 1 2 3 4 3 1 3 10 37 4 2 2 2 2 2 2 2 7 8 4 2 1 1 2 1 2 2 2 5 54 10 6 2 4 8 3 2 3 8 37 16 14 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 8 4 6 1 2 3 8 29 21 21 6 20 32 49 4 2 7 3 3 3 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: 76 75 dq 2H J 14 73 | 73 73 dq 2H J 9 69 | 55 55 t 1H J 9 | 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.
NC(=NO)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
ir: 7 7 5 3 2 7 5 4 4 3 2 2 3 7 9 7 9 15 19 18 10 4 10 4 4 6 4 5 13 7 7 8 5 13 18 6 16 13 9 2 9 10 26 15 6 3 7 3 2 5 3 1 6 14 24 15 2 3 2 3 1 1 3 1 2 5 6 4 5 4 3 2 4 11 3 4 2 2 4 2 3 8 13 14 42 6 5 2 2 2 1 1 3 7 18 5 5 5 57 12 3 7 4 2 2 3 5 24 9 6 3 5 3 3 3 2 2 2 3 3 6 4 5 3 6 9 13 6 2 2 3 6 12 5 3 12 5 11 11 2 1 3 7 22 6 17 47 66 14 27 17 11 10 25 21 5 7 2 2 11 20 1 1 2 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 1 1 1 1 1 0 1 1 1 2 2 3 4 3 1 1 2 2 1 5 7 9 36 67 7 1 3 4 4 7 31 51 12 6 2 2 1 1 2 2 4 12 23 4 2 2 1 1 1 0 2 5 10 100 20 0 3 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 73 72 m 2H | 71 71 d 1H J 75 | 71 70 dd 1H J 15 71 | 55 55 s 2H | 46 45 p 1H J 43 | 38 36 m 4H | 24 23 dddd 1H J 43 62 88 129 | 23 22 m 2H | 21 20 dddd 1H J 43 62 88 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1cc(OC[C@@H](O)CN[C@H](CO)Cc2ccc(O)cc2)ccc1O)c1ccc(Cl)cc1
ir: 0 15 12 16 28 17 23 15 14 29 7 21 11 11 13 11 21 29 47 18 17 12 22 24 14 15 6 20 9 9 8 15 9 11 10 8 14 9 6 10 11 23 13 12 14 16 10 9 13 14 21 7 20 33 49 32 13 17 17 19 16 15 8 7 23 53 14 8 14 31 14 9 9 9 7 4 8 7 9 33 44 56 12 13 33 17 25 47 100 73 23 11 13 5 6 13 12 27 15 15 15 13 12 3 7 8 7 14 10 8 24 28 23 20 6 7 10 6 9 10 5 6 20 8 8 7 5 6 7 13 13 27 14 12 5 9 12 8 4 4 3 2 2 4 8 10 8 17 30 4 14 5 12 6 10 5 2 2 1 3 2 1 15 4 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 1 2 1 1 2 2 2 1 2 2 2 2 2 2 2 3 3 3 2 2 3 3 2 4 4 4 4 9 18 60 75 40 15 11 15 13 29 98 99 41 10 5 5 3 3 4 4 4 6 17 27 62 23 10 14 12 17 38 69 14 8 5 4 2 2 3 2 1 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; 1HNMR: 96 96 s 1H | 87 87 s 1H | 77 77 m 2H | 75 74 m 2H | 71 70 dq 2H J 9 88 | 70 69 d 1H J 22 | 68 67 m 3H | 66 65 dd 1H J 22 95 | 65 65 s 1H | 44 44 m 2H | 42 41 dd 1H J 49 127 | 40 39 dt 1H J 50 57 | 39 38 dd 1H J 48 127 | 38 37 ddd 1H J 42 53 119 | 35 35 ddd 1H J 41 53 119 | 34 33 t 1H J 53 | 32 31 dtt 1H J 41 64 83 | 30 29 ddd 1H J 50 58 130 | 29 29 ddt 1H J 9 63 138 | 28 27 ddd 1H J 50 58 132 | 27 26 ddt 1H J 9 63 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C(=C2SCSCS2)c2ccc(F)cc2)cc1
ir: 4 4 4 3 3 3 3 4 3 6 6 4 7 4 7 5 4 11 7 3 3 3 3 3 3 3 3 3 3 3 4 5 7 7 5 4 5 6 5 7 11 10 9 5 6 6 6 5 7 17 9 6 12 20 8 0 27 100 7 5 5 6 4 3 3 4 3 3 13 9 4 3 4 3 3 3 3 3 3 3 3 4 3 3 4 5 14 11 3 4 3 3 4 6 3 4 4 5 5 4 4 6 6 16 7 5 4 3 3 3 4 4 4 5 6 6 6 7 8 6 7 17 5 5 5 13 11 6 4 4 3 3 3 3 3 3 3 3 3 3 5 16 4 4 4 3 3 19 86 10 6 6 13 4 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 6 8 6 5 4 4 4 4 5 7 0 41 7 17 81 33 11 6 6 6 5 4 4 4 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 76 75 m 4H | 72 71 m 4H | 41 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(-c2ccccc2O)nc(Nc2ccccc2OC)c1N
ir: 1 2 3 2 1 1 2 1 1 1 2 1 1 1 3 1 2 4 3 3 1 3 1 3 1 1 5 8 8 11 5 3 2 2 2 0 1 3 12 1 2 1 16 8 20 0 3 1 2 2 1 0 0 1 2 0 1 1 0 1 1 1 0 0 1 1 0 0 1 2 2 0 0 1 3 1 1 1 2 0 1 2 1 1 1 2 3 7 3 3 6 0 1 1 3 1 2 4 0 1 7 1 0 1 2 1 0 1 1 0 0 2 2 1 1 0 1 2 2 1 1 1 1 2 2 2 1 1 0 1 0 1 4 1 0 1 1 3 2 1 1 16 4 1 1 2 6 9 3 2 2 63 1 0 0 3 1 3 7 2 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 3 10 11 1 2 6 9 1 1 1 0 0 0 0 0 0 0 1 1 2 21 2 2 1 1 2 12 5 3 1 1 4 100 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 85 85 s 1H | 79 78 dd 1H J 14 96 | 76 76 dd 1H J 14 78 | 73 72 td 1H J 13 79 | 72 71 m 2H | 71 70 td 1H J 13 80 | 70 69 ddd 2H J 14 50 82 | 62 62 s 2H | 44 43 q 2H J 64 | 39 39 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.
O=C(O)c1cccc(Sc2cccnc2)c1-c1ccccc1
ir: 8 2 4 5 3 2 2 3 4 8 6 4 2 3 5 4 15 8 7 20 15 14 97 28 39 11 8 10 5 6 8 6 32 74 3 4 4 6 14 9 31 29 5 4 2 5 25 26 3 1 2 4 2 1 3 10 2 1 2 2 2 4 14 10 2 2 3 3 11 13 3 4 3 4 7 5 18 16 15 6 3 5 3 2 1 7 3 4 8 9 5 10 1 2 2 1 1 2 1 2 1 1 2 2 1 1 2 3 1 1 4 25 46 2 1 2 25 4 5 9 4 2 1 1 2 1 1 2 2 2 1 2 12 3 16 4 5 3 15 37 8 5 11 11 9 15 29 3 4 3 8 2 3 5 5 5 8 15 5 1 2 2 1 1 1 2 1 1 1 1 1 0 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 2 1 1 1 2 1 0 1 2 2 0 1 4 3 0 2 5 4 1 22 100 51 13 3 1 3 5 2 2 6 30 6 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; 1HNMR: 86 85 t 1H J 16 | 85 85 ddd 1H J 14 21 38 | 79 78 dd 1H J 11 79 | 75 75 m 2H | 75 75 dt 1H J 19 66 | 75 74 m 3H | 74 73 m 2H | 73 73 dd 1H J 40 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCC1CCCCN1Cc1ccccc1
ir: 2 2 1 4 3 6 2 5 5 5 7 7 12 10 4 8 8 8 7 21 24 8 9 12 10 17 6 4 9 8 9 7 8 4 2 3 3 5 10 9 15 7 4 2 2 4 5 4 2 3 3 4 1 0 4 2 2 1 1 2 1 0 1 2 3 0 3 5 4 7 3 5 3 2 2 3 1 2 3 4 4 19 11 4 3 4 4 7 8 13 20 20 3 19 100 38 12 10 10 10 15 8 3 3 2 2 1 2 2 2 1 3 4 4 4 3 4 3 2 2 2 4 4 3 1 1 2 2 2 3 4 2 4 9 5 12 5 3 1 1 2 1 3 9 2 4 2 2 1 1 1 5 3 1 2 1 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 1 1 0 0 1 1 0 0 1 1 0 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 2 1 1 1 3 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 1 1 1 0 0 1 2 0 2 2 2 1 1 2 1 1 2 10 10 6 16 46 27 4 6 21 57 42 30 14 11 3 2 0 1 2 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 m 2H | 73 73 s 3H | 38 37 d 1H J 125 | 37 36 dq 1H J 62 113 | 36 35 m 2H | 28 27 m 2H | 27 27 tt 1H J 53 66 | 25 24 m 1H | 19 18 m 2H | 17 15 m 5H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CC(=O)N2Cc1ccccc1
ir: 7 6 3 5 6 5 4 3 5 2 1 2 3 2 5 4 3 3 2 3 2 2 1 7 13 5 6 6 9 14 5 5 7 9 7 14 9 5 8 10 30 26 6 3 4 3 2 3 3 0 2 3 3 7 33 18 3 1 2 3 2 0 3 5 4 10 6 11 26 25 6 6 5 1 2 2 1 2 5 4 1 1 2 2 4 6 4 3 5 11 3 3 2 2 3 2 1 2 3 3 1 1 2 2 1 3 5 2 3 3 3 2 1 4 7 9 6 3 3 4 3 7 4 4 4 11 9 3 2 5 4 5 4 6 14 15 20 5 3 1 1 5 9 26 14 11 4 3 5 8 9 53 22 15 9 2 2 3 2 1 1 4 4 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 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 4 9 1 2 3 2 1 4 11 9 12 28 100 53 30 7 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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; 1HNMR: 73 72 m 5H | 70 69 m 2H | 68 68 dd 1H J 22 90 | 52 52 t 2H J 9 | 38 38 s 2H | 35 35 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)c1ccccn1
ir: 8 8 13 23 30 8 5 10 7 6 5 3 4 4 8 4 4 2 5 4 3 3 5 6 4 3 5 9 2 2 2 3 2 3 2 3 4 3 18 39 46 0 2 4 2 1 2 2 2 2 4 8 5 8 19 14 3 5 2 2 2 2 3 8 10 7 14 8 6 10 17 12 4 4 3 2 2 2 2 9 7 5 7 7 7 8 11 24 77 59 32 42 31 5 4 5 4 3 1 3 3 2 3 3 9 6 9 2 5 5 4 2 3 2 2 4 9 3 6 5 5 5 2 3 3 4 7 11 8 3 2 2 3 3 8 20 36 18 24 6 2 2 2 2 2 2 2 6 7 3 2 3 3 5 5 7 55 67 2 3 2 2 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 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 2 1 2 2 2 2 2 2 2 2 2 2 2 2 4 4 2 2 2 2 1 2 3 3 3 3 4 4 8 6 8 14 18 16 8 5 2 4 3 12 100 60 5 3 2 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 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 86 dd 1H J 18 44 | 79 78 m 1H | 76 76 ddd 1H J 14 45 71 | 74 74 ddd 1H J 6 13 78 | 52 52 dtd 1H J 46 58 64 | 35 34 d 1H J 49 | 16 16 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(=O)Nc1ccc(C(=O)O)cc1
ir: 4 2 0 1 2 2 3 3 1 3 5 11 8 10 6 6 9 6 8 7 43 46 31 11 18 8 6 7 3 5 4 6 3 2 9 7 4 2 3 1 2 1 1 1 1 2 2 2 2 2 4 1 3 4 5 7 5 5 2 2 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 6 5 5 8 11 12 3 3 5 4 7 3 5 3 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 6 2 2 1 0 0 1 0 0 1 5 7 1 1 0 1 3 4 4 4 2 8 3 2 1 1 0 1 1 1 1 1 1 1 3 4 2 9 8 24 17 7 6 11 3 1 4 14 18 13 5 5 1 1 1 0 1 0 1 9 2 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 4 6 16 6 3 1 1 2 3 4 7 58 100 28 9 2 0 2 2 1 1 3 4 4 12 12 10 9 6 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 80 80 m 3H | 77 76 m 3H | 34 34 s 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)N1CCC(n2ncc3c(C4=CCOCC4)nc(Cl)nc32)CC1
ir: 2 4 7 5 11 22 5 7 14 10 14 14 5 10 6 4 12 8 6 3 1 3 10 6 2 1 2 1 1 2 1 0 1 1 9 49 13 5 4 6 5 17 98 12 2 4 1 1 3 2 1 1 1 5 3 1 9 5 6 9 4 8 4 0 2 5 4 6 8 6 3 4 5 5 15 2 1 1 1 1 0 1 0 0 1 3 2 18 9 2 1 3 3 4 3 1 1 2 6 4 5 3 3 3 7 11 7 6 11 5 11 17 69 13 7 12 7 18 10 31 19 27 21 18 20 9 10 11 10 18 14 33 4 9 12 4 2 4 4 4 18 4 5 3 26 25 8 6 4 5 53 100 21 8 7 25 32 6 8 8 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 2 4 5 6 6 4 4 5 2 8 6 7 6 45 12 13 5 3 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 63 62 tt 1H J 9 37 | 47 47 p 1H J 38 | 42 42 dt 2H J 9 38 | 39 38 ddd 2H J 55 82 117 | 38 38 t 2H J 54 | 37 36 ddd 2H J 53 81 115 | 27 27 tq 2H J 10 54 | 23 22 dddd 2H J 38 53 80 135 | 21 20 dddd 2H J 37 53 80 134 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H](CCl)Cc1cccc(/C=C/c2c(Cl)cccc2Cl)c1
ir: 2 2 5 3 5 4 8 5 2 3 3 3 2 2 3 2 1 2 3 1 1 2 3 2 1 3 3 1 4 5 8 6 7 4 2 2 3 2 2 4 4 3 3 2 11 3 16 13 10 3 3 2 2 3 2 1 1 2 2 1 3 3 4 3 2 2 3 4 5 9 4 4 2 12 12 14 14 4 5 5 3 3 3 2 2 5 13 13 74 27 13 14 7 14 2 5 5 6 7 9 7 11 5 3 3 3 1 2 3 2 3 2 2 3 1 4 4 2 2 4 6 5 4 5 5 4 1 4 4 2 2 4 2 3 5 5 11 4 33 21 29 13 6 1 2 2 1 2 2 1 2 3 9 6 3 5 3 1 1 3 2 1 1 2 1 1 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 3 2 2 2 3 3 3 4 2 2 3 3 7 9 13 9 33 99 17 7 6 4 5 4 12 100 23 9 2 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 1 1 3 2 2 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 75 75 ddt 1H J 9 20 80 | 75 74 m 2H | 74 73 m 2H | 73 72 m 2H | 72 71 ddq 1H J 9 21 77 | 70 70 d 1H J 161 | 42 41 tdt 1H J 26 46 60 | 37 37 dd 1H J 27 115 | 35 34 dd 1H J 26 115 | 32 31 d 1H J 46 | 31 30 ddt 1H J 9 62 140 | 28 28 ddt 1H J 9 60 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1cncn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ir: 23 11 9 5 3 4 4 2 3 3 4 3 2 1 2 4 5 6 0 1 1 2 1 1 0 0 0 3 6 1 2 2 2 1 4 8 10 35 3 8 59 19 61 45 20 22 7 3 2 2 4 3 3 2 3 3 33 6 7 4 1 9 2 0 1 1 3 8 4 4 3 3 6 8 5 13 1 6 2 0 1 1 1 4 6 2 3 3 10 21 3 3 100 1 1 20 11 10 9 5 3 4 3 5 5 12 13 8 7 6 6 3 9 5 9 5 7 14 8 32 15 7 5 14 6 17 3 3 3 1 2 2 3 1 2 3 16 27 10 3 1 1 5 24 67 16 10 12 8 3 16 3 5 1 1 0 4 2 1 0 0 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 4 3 5 4 3 7 6 4 6 4 5 7 7 8 16 24 16 26 91 69 27 100 10 3 9 1 2 1 1 1 0 1 1 1 0 1 1 1 2 2 1 3 7 18 42 19 20 4 3 2 1 2 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; 1HNMR: 79 78 dd 1H J 13 82 | 76 74 m 4H | 72 71 m 4H | 69 69 dt 1H J 8 17 | 52 51 q 2H J 9 | 28 27 td 2H J 9 81 | 17 16 tt 2H J 61 81 | 14 13 dtd 2H J 61 72 134 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)c(Nc2ccccc2C(=N)NN)c1Cl
ir: 6 7 4 5 4 5 7 3 11 14 5 7 14 13 19 8 9 6 9 8 12 10 4 7 8 18 16 31 41 12 17 48 12 8 9 6 3 10 7 20 9 9 55 38 10 4 6 4 3 3 4 1 4 13 3 1 2 2 2 2 2 2 1 2 1 2 2 3 3 2 2 3 2 4 5 4 3 2 4 20 19 11 5 1 1 5 19 4 4 5 9 4 2 2 3 3 11 1 1 2 0 12 4 1 10 2 0 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 3 3 12 2 1 2 1 2 3 2 1 2 4 4 53 6 0 7 10 12 62 45 21 19 4 8 10 14 24 19 12 4 9 2 3 12 7 24 3 10 22 3 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 2 1 1 0 1 2 2 1 4 7 9 75 20 5 2 2 2 2 1 1 1 1 1 2 3 24 12 3 8 15 3 3 4 7 10 26 100 49 12 4 2 1 5 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 t 1H J 30 | 81 81 s 1H | 76 75 dd 1H J 16 79 | 74 74 s 1H | 73 72 td 1H J 15 79 | 72 72 d 1H J 70 | 72 71 td 1H J 13 79 | 71 71 dd 1H J 14 78 | 70 69 dq 1H J 10 70 | 53 53 d 2H J 31 | 23 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)cnc1NOCc1ccccc1
ir: 4 8 16 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 4 3 3 2 3 2 3 2 2 3 7 4 7 16 11 18 15 12 7 5 7 6 3 3 7 3 2 4 4 4 2 3 3 2 2 2 2 2 2 2 2 7 3 3 2 2 2 2 2 3 3 3 16 4 7 2 2 2 2 3 2 2 4 2 2 2 2 8 3 2 2 2 4 6 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 7 6 3 8 6 2 5 11 5 2 3 4 2 0 3 5 1 2 27 88 8 8 0 2 4 4 13 2 4 3 1 1 3 3 5 2 3 5 100 1 4 3 5 3 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 5 11 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 5 3 2 3 3 4 2 3 17 56 16 7 4 2 3 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 83 d 1H J 16 | 82 82 d 1H J 16 | 74 73 m 2H | 73 73 m 4H | 49 48 t 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NCc1cncn1Cc1ccc(C#N)c(F)c1)C(=O)N(C)c1cccc2ccc(O)cc12
ir: 14 3 7 16 9 6 6 7 3 3 5 6 2 4 10 7 3 2 4 5 6 10 3 3 13 3 2 4 2 1 2 2 3 5 4 18 9 6 10 22 9 6 25 19 57 23 6 10 9 12 18 11 4 6 6 26 56 28 13 2 4 4 8 7 2 6 3 9 32 31 16 10 16 18 10 4 4 2 5 4 4 16 24 43 35 11 13 10 2 20 6 2 2 9 16 48 16 6 7 8 9 20 17 14 5 26 15 20 18 10 5 3 3 3 3 15 8 20 9 7 8 8 7 4 6 13 7 9 10 4 5 2 2 3 2 3 3 7 7 5 9 3 8 3 7 5 1 1 3 19 20 4 6 18 6 3 11 14 6 5 8 2 1 1 1 1 1 1 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 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 2 8 2 2 2 4 7 8 5 5 10 4 2 8 13 54 36 27 41 100 30 18 4 6 4 3 19 18 7 2 1 1 1 1 0 1 1 3 7 5 1 1 1 0 0 0 1 0 0 1 0 1 0 0 1 0 1 1 0 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 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 85 84 s 1H | 79 78 d 1H J 85 | 76 75 m 2H | 75 75 m 2H | 75 74 dd 1H J 20 69 | 74 73 d 1H J 21 | 72 72 ddt 1H J 9 18 72 | 72 71 ddt 1H J 9 17 121 | 70 69 m 2H | 52 52 q 2H J 9 | 42 41 q 1H J 60 | 41 40 m 2H | 40 39 ddd 1H J 7 57 161 | 33 32 s 2H | 13 12 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Cc1cccc(OCc2ccccc2)c1)C(=O)O
ir: 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 1 2 2 2 12 17 12 8 10 5 2 2 1 2 2 4 1 1 1 1 1 1 2 3 3 1 1 1 0 1 1 2 3 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 5 3 2 1 1 1 2 2 7 7 15 3 3 2 1 3 1 1 2 1 3 2 3 2 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 3 2 5 6 2 3 1 0 1 1 1 2 1 2 4 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 3 0 6 11 6 3 1 1 1 0 3 5 24 100 9 1 2 2 0 0 1 1 0 0 1 1 0 0 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 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; 1HNMR: 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 72 72 dd 1H J 70 81 | 69 69 ddq 1H J 10 20 69 | 69 68 ddd 1H J 11 21 81 | 67 67 tt 1H J 9 21 | 51 50 t 2H J 9 | 29 28 d 2H J 9 | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(COc2ccccc2)cc(OC)n1
ir: 5 5 7 3 4 2 4 2 2 15 12 9 3 6 28 11 2 5 8 4 4 5 4 2 7 4 5 4 4 13 13 7 4 5 6 8 5 7 24 32 11 15 32 3 3 10 7 2 3 3 12 2 74 15 16 6 3 7 7 7 5 3 4 13 12 13 33 7 9 10 2 3 3 2 2 2 3 4 4 16 5 3 6 5 11 16 17 4 1 1 1 1 1 2 1 2 2 2 1 2 7 1 1 1 2 2 5 16 15 5 1 6 2 1 1 1 2 1 2 5 5 2 1 2 2 3 1 7 1 1 2 2 1 6 15 9 12 17 10 45 16 10 12 17 54 25 54 16 5 3 5 2 5 4 9 21 70 65 13 10 5 1 2 3 2 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 6 2 14 100 14 14 6 3 2 3 1 0 1 2 1 1 1 1 1 1 2 2 1 2 5 11 26 8 22 51 24 3 5 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 81 80 m 2H | 80 80 s 1H | 78 77 ddd 1H J 16 75 88 | 78 77 s 1H | 76 75 td 1H J 13 77 | 73 73 m 2H | 70 70 tt 1H J 15 75 | 70 69 m 2H | 65 64 d 1H J 9 | 51 51 d 2H J 7 | 39 38 s 2H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2nnn(Cc3ccc(Cl)cc3Cl)c2c1
ir: 1 1 1 1 7 2 2 3 2 2 3 3 5 16 5 6 3 3 0 6 37 100 78 10 5 6 5 3 4 7 2 1 1 2 1 1 2 1 1 1 1 3 1 1 1 2 1 1 1 2 1 1 2 2 7 19 6 3 2 1 1 1 1 1 2 4 34 8 4 3 1 3 2 3 3 16 22 3 11 12 10 3 2 2 2 5 4 2 4 1 2 5 4 2 2 1 2 1 2 1 3 1 1 1 2 2 1 1 1 1 0 1 2 2 3 6 13 15 4 7 3 3 5 2 9 2 2 4 6 2 1 1 1 1 0 1 3 1 1 1 2 7 2 3 3 10 9 5 26 7 1 3 2 1 1 1 1 1 1 3 2 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 4 5 10 33 19 8 6 3 2 1 1 2 20 31 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 d 1H J 21 | 82 81 d 1H J 84 | 81 81 dd 1H J 20 84 | 73 72 d 1H J 20 | 72 72 m 2H | 56 56 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C=C\CCCCCCCCO
ir: 3 2 3 2 2 3 4 2 2 2 3 2 2 3 3 2 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 3 4 10 37 6 5 4 3 5 3 3 2 3 2 2 2 2 1 1 3 2 2 2 3 2 2 2 2 3 1 5 4 2 2 2 4 3 2 2 1 2 1 2 1 4 2 3 4 8 6 12 11 63 19 70 100 21 21 13 16 6 8 2 5 3 3 3 1 1 6 2 18 14 9 2 3 2 7 8 7 4 11 5 3 3 24 16 13 9 5 9 4 4 6 5 6 3 1 2 1 1 2 3 6 8 5 4 2 1 1 2 1 1 1 1 0 0 1 1 0 0 1 3 2 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 8 10 6 5 5 3 3 7 3 8 14 48 39 50 31 5 4 3 5 9 6 23 34 27 10 3 6 3 4 1 2 2 2 1 1 1 1 1 1 2 1 2 2 2 2 1 1 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 1 1 0 0 1 1 0 0 1 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: 54 53 m 2H | 36 35 q 2H J 58 | 27 27 t 1H J 59 | 21 20 m 4H | 16 15 m 2H | 14 12 m 10H | 10 9 td 3H J 8 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc2cccc(C(Br)Br)c2n1
ir: 1 1 2 5 7 2 1 2 23 5 4 1 2 1 1 1 1 1 4 2 3 61 4 7 4 2 3 2 1 2 3 6 2 2 2 0 2 3 10 1 1 3 2 0 4 56 24 14 2 4 2 3 2 7 8 8 2 1 4 6 3 1 1 2 5 16 6 3 1 3 2 2 1 1 2 8 1 9 19 3 3 1 3 2 1 0 2 2 3 7 49 13 3 1 3 8 60 23 2 2 3 5 25 3 3 5 6 22 5 3 4 7 28 20 20 12 1 4 3 3 1 3 2 4 3 1 1 1 2 1 1 1 1 1 11 14 4 2 2 1 20 15 3 2 3 21 100 4 3 3 2 2 1 1 1 3 1 1 2 2 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 4 7 5 8 8 9 9 45 4 8 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H | 80 80 dd 1H J 12 83 | 79 79 dt 1H J 9 88 | 77 77 t 1H J 85 | 68 68 d 1H J 7 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(Nc2c(C=O)c3ccccc3n2-c2ccccc2)CC1
ir: 1 2 1 2 1 1 1 1 0 1 2 1 0 0 0 0 4 2 2 2 1 15 2 1 1 1 2 4 10 7 17 26 7 5 7 12 5 4 16 7 3 11 100 6 3 0 1 1 1 0 1 2 1 8 1 1 1 0 1 0 0 1 1 1 1 1 1 3 8 5 3 13 4 3 9 7 5 5 6 3 9 15 3 1 2 5 1 1 2 2 7 3 4 2 1 1 4 2 1 1 1 0 3 4 21 9 1 2 1 3 7 4 3 1 2 2 2 5 3 1 3 4 2 15 11 3 5 13 11 4 4 11 3 4 13 7 3 7 2 3 14 7 3 7 4 6 3 1 1 1 1 13 4 23 0 30 10 38 2 1 1 13 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 1 1 1 1 1 4 2 7 8 34 86 39 15 2 2 1 1 1 2 1 0 1 1 1 0 3 4 1 2 1 5 4 2 9 17 18 22 7 4 5 1 1 0 1 0 0 1 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; 1HNMR: 83 83 dd 1H J 14 70 | 76 76 dd 1H J 14 62 | 74 73 m 7H | 73 72 td 1H J 14 71 | 63 63 d 1H J 66 | 39 39 dp 1H J 39 66 | 29 28 ddd 2H J 59 86 126 | 26 26 ddd 2H J 59 86 126 | 24 23 s 2H | 21 20 dddd 2H J 38 59 86 125 | 19 18 dddd 2H J 38 59 86 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(=O)O)(Cc1ccc2c(c1)CCC2)C(=O)OCC
ir: 8 5 17 10 8 4 2 6 20 10 28 15 15 19 8 7 3 10 10 12 47 100 21 11 6 10 5 3 3 3 2 8 3 1 1 1 1 1 2 1 1 1 1 2 2 5 3 3 3 7 5 7 19 11 8 5 4 6 9 1 2 1 2 3 1 1 1 2 3 7 11 5 4 0 5 11 12 18 64 19 5 5 1 4 3 3 2 5 3 1 2 27 12 7 2 3 3 3 5 6 10 8 8 3 1 2 2 1 3 5 7 5 5 21 20 5 3 4 6 27 35 9 2 4 12 6 5 6 4 5 5 9 4 5 13 7 2 6 7 3 8 7 7 32 25 34 25 3 3 3 21 1 2 3 2 0 0 1 0 0 0 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 1 2 3 2 4 4 2 3 4 2 6 3 23 19 12 6 18 24 5 3 1 1 2 0 1 13 43 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 72 71 dt 1H J 9 75 | 71 70 dp 1H J 9 18 | 70 70 ddt 1H J 8 19 74 | 42 41 m 4H | 34 34 t 2H J 9 | 31 30 s 2H | 29 28 td 4H J 53 62 | 21 20 p 2H J 63 | 13 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)COc1cccc(Cl)c1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1
ir: 1 2 2 3 1 3 3 1 2 3 3 12 5 7 3 6 4 6 7 9 7 15 15 3 1 2 1 3 10 7 3 7 6 7 14 3 3 3 5 1 1 7 5 1 4 8 14 47 11 12 39 16 4 5 8 52 14 13 9 2 2 1 4 1 2 11 26 22 10 8 4 2 2 14 2 1 3 3 1 4 24 5 6 4 10 5 9 9 4 2 7 13 0 3 14 6 6 6 13 34 18 3 1 2 1 2 3 7 6 6 6 13 100 8 2 2 8 3 1 6 5 4 5 11 13 28 28 21 8 8 4 3 7 4 6 2 19 5 7 8 19 6 3 11 7 8 23 46 53 9 3 9 5 5 9 14 5 1 1 5 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 4 2 6 2 4 2 3 3 5 7 11 17 25 72 36 16 18 31 10 3 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dq 2H J 15 107 | 74 74 m 3H | 73 72 t 1H J 80 | 71 71 tt 1H J 9 17 | 71 70 m 2H | 69 69 ddd 1H J 13 22 80 | 64 63 ddt 1H J 9 16 48 | 47 47 s 2H | 37 36 t 2H J 9 | 36 35 pq 1H J 15 61 | 28 28 d 3H J 15 | 28 27 ddd 2H J 51 79 121 | 25 24 ddd 2H J 50 78 121 | 21 20 dddd 2H J 49 60 77 114 | 18 17 dddd 2H J 50 62 77 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC(C)(C)C(=O)OC
ir: 15 9 16 9 1 9 6 5 3 3 6 7 10 10 6 6 4 6 5 4 5 5 9 10 6 15 8 6 8 7 5 3 2 4 11 6 5 6 6 7 25 20 18 16 19 10 7 10 7 4 6 7 8 13 4 9 17 23 10 1 2 5 4 1 4 9 3 3 3 4 3 7 8 5 5 4 3 4 2 2 3 4 4 5 8 19 12 3 8 6 4 2 4 3 2 3 5 4 5 3 5 7 3 4 4 4 2 3 6 6 5 8 12 16 19 6 15 7 19 15 14 12 10 11 10 13 9 14 9 8 5 10 8 5 4 5 22 6 12 79 9 8 4 7 15 22 57 58 35 17 5 3 10 3 4 3 3 4 3 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 34 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 4 3 5 3 4 8 6 3 5 3 5 7 8 12 23 6 8 100 29 9 7 3 4 3 3 2 3 4 2 1 3 3 2 1 2 3 2 1 2 3 2 2 2 3 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 77 ddd 2H J 14 69 88 | 76 75 m 3H | 75 75 ddd 1H J 14 63 74 | 74 73 dq 2H J 9 86 | 44 44 d 2H J 9 | 37 36 s 3H | 33 32 t 2H J 66 | 25 24 t 2H J 81 | 19 18 t 2H J 82 | 17 16 qt 2H J 66 79 | 12 12 s 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC(c1ccc(Br)cc1)c1ccccc1Cl)c1ccc(=O)[nH]c1
ir: 2 3 2 3 3 7 7 6 11 8 6 6 9 5 6 3 7 23 11 8 61 5 10 5 3 3 8 6 14 7 5 4 2 6 4 3 9 13 18 2 4 12 67 67 85 1 27 7 6 6 8 16 30 11 32 80 14 48 46 39 6 0 4 7 2 2 16 7 7 9 5 5 8 2 5 5 2 2 3 3 2 4 4 4 15 14 8 29 6 3 5 4 5 10 11 7 5 4 4 5 4 4 3 2 2 3 4 5 3 3 4 4 5 5 8 15 13 8 11 4 3 4 7 12 23 17 10 10 5 10 10 4 9 5 12 17 30 45 10 8 17 24 7 10 40 59 22 60 71 19 14 100 9 13 6 10 15 16 5 5 5 8 9 14 31 81 5 5 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 4 4 7 5 4 2 5 7 4 4 15 23 31 62 97 43 18 27 12 7 9 5 2 2 3 4 3 3 3 4 3 3 5 9 8 17 50 59 48 21 16 11 8 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 dd 1H J 13 71 | 77 76 dd 1H J 13 103 | 75 75 m 2H | 73 72 m 6H | 73 72 m 1H | 68 67 d 1H J 103 | 46 45 td 1H J 7 84 | 35 34 m 1H | 33 32 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)cc(Br)c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl
ir: 9 21 7 8 10 5 5 7 52 14 8 4 7 4 11 23 14 13 43 20 5 12 18 12 13 18 4 4 11 23 6 3 5 4 4 4 4 12 5 3 4 15 8 3 9 21 100 7 4 5 5 4 3 7 11 15 8 5 3 1 4 3 3 1 59 2 17 12 10 13 2 1 4 2 3 2 3 5 4 4 11 11 10 23 14 6 6 5 15 10 3 6 9 43 7 5 12 53 55 19 18 9 0 2 5 2 0 2 4 2 1 3 8 11 2 3 6 4 11 4 6 3 6 35 11 4 0 3 4 1 5 4 4 1 1 17 10 3 2 2 2 3 20 4 4 1 2 8 11 11 37 10 52 10 23 4 2 2 4 2 3 13 5 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 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 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 3 1 2 3 2 2 3 3 2 9 6 10 10 60 22 11 6 12 80 19 9 4 3 4 2 2 2 3 2 1 2 4 2 3 6 11 7 10 41 8 3 6 5 3 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 100 99 s 1H | 81 81 t 1H J 12 | 80 80 d 3H J 11 | 76 76 s 1H | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N(Cc1ccccc1)c1cccc([C@@H](O)CN(CCO)Cc2ccccc2)c1
ir: 11 15 14 20 13 9 12 9 8 6 9 4 6 7 7 4 10 8 11 7 5 5 4 3 4 5 3 3 3 5 6 14 9 7 12 9 8 5 9 12 25 17 21 5 4 9 5 9 15 5 4 3 4 5 3 3 4 6 8 3 4 4 4 3 5 6 7 10 10 11 7 12 8 7 7 6 5 9 8 7 11 9 8 6 23 10 17 100 28 41 22 28 13 10 6 5 8 5 3 7 9 5 9 11 15 5 5 4 5 3 3 3 3 3 3 3 3 3 3 7 4 6 5 4 3 3 5 7 8 5 6 3 5 4 16 11 5 3 3 4 7 7 7 10 14 5 6 3 3 2 3 4 5 3 4 5 10 2 3 3 3 4 9 4 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 4 6 2 2 3 3 2 3 5 3 2 3 5 5 4 15 25 17 59 44 27 5 3 8 17 91 56 13 0 4 5 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 72 m 11H | 72 71 ddt 1H J 9 20 83 | 70 70 td 1H J 7 22 | 70 70 ddd 1H J 12 21 71 | 49 49 dtd 1H J 9 49 59 | 48 47 d 2H J 10 | 40 39 d 1H J 59 | 38 38 t 1H J 63 | 37 36 m 3H | 36 35 m 1H | 32 32 dd 1H J 49 125 | 30 29 dd 1H J 49 125 | 29 29 s 2H | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C#N)ccc1O
ir: 6 4 5 6 12 19 10 46 76 46 7 17 23 12 3 5 6 3 2 6 6 3 3 4 4 3 3 5 4 2 4 17 7 3 4 27 6 11 16 8 5 4 4 5 4 2 3 5 4 2 4 7 4 0 18 40 16 9 4 7 7 5 4 18 6 8 5 6 16 10 5 4 9 12 21 20 5 6 19 17 24 4 4 5 4 4 12 6 4 4 3 6 17 25 61 34 1 4 7 5 1 5 9 9 4 3 5 4 2 3 6 4 3 6 9 5 2 5 6 4 3 4 5 3 3 10 6 4 3 4 4 3 2 4 4 3 2 4 4 3 3 6 10 31 6 4 4 2 3 23 5 2 3 16 8 3 3 5 4 2 4 5 4 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 5 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 3 5 4 3 3 4 4 3 4 7 9 5 14 100 38 2 6 6 6 3 6 74 21 4 4 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 73 73 dd 1H J 21 89 | 71 71 d 1H J 22 | 69 69 d 1H J 88 | 64 63 s 1H | 42 41 q 2H J 63 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)N1CC(=O)N[C@H](C(=O)OC)C1
ir: 15 15 14 16 18 20 60 16 17 7 7 5 10 5 9 3 5 4 16 7 7 6 2 7 6 9 17 36 29 63 65 10 16 11 6 4 2 1 2 1 1 1 2 2 2 1 1 5 2 2 5 6 11 7 4 4 2 3 3 5 7 10 5 7 5 8 25 12 2 2 5 7 5 3 3 7 2 2 5 2 2 1 4 3 2 1 2 3 1 2 3 4 3 6 4 4 1 3 1 3 1 1 2 1 2 1 2 3 2 3 5 9 17 21 36 33 39 28 1 31 15 9 12 5 5 3 4 7 7 16 15 9 3 5 6 7 9 23 18 18 4 11 10 8 68 5 6 2 1 3 10 100 5 16 33 42 6 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 3 2 2 2 3 7 10 3 2 5 8 5 5 20 26 9 15 6 10 5 9 19 3 11 14 10 3 4 2 3 1 1 1 1 1 0 1 2 3 3 18 40 22 12 8 3 2 4 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 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 65 64 d 1H J 82 | 60 59 m 1H | 53 53 ddt 1H J 13 25 170 | 53 52 m 1H | 47 46 dt 2H J 14 59 | 44 43 ddd 1H J 26 53 81 | 41 39 m 3H | 39 38 dd 1H J 53 123 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2cccnc2c(-c2cccc(Cl)c2)cn1Cc1ccccc1
ir: 2 1 3 2 2 3 2 3 3 11 4 3 1 1 2 3 1 1 1 1 1 2 1 1 2 1 1 1 2 5 5 3 3 8 3 2 5 6 4 21 6 33 5 3 9 21 30 9 35 6 3 0 2 2 1 1 1 2 1 1 2 3 2 16 3 2 4 14 6 1 2 1 1 1 1 1 2 2 3 4 3 2 7 10 6 2 3 2 3 6 2 3 2 2 1 1 1 2 3 3 2 2 5 2 1 1 4 1 2 1 1 1 1 1 2 2 1 2 2 4 3 3 3 4 4 7 2 3 2 1 1 2 2 2 5 4 6 22 13 9 2 10 3 66 2 2 2 2 1 1 2 11 5 6 17 54 10 22 4 7 2 1 1 3 56 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 6 12 100 19 19 12 14 5 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 dd 1H J 22 44 | 83 82 dd 1H J 22 82 | 80 80 t 1H J 9 | 76 76 m 2H | 75 75 m 2H | 74 72 m 6H | 51 51 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(C)(C)C(=O)n1cc2c(n1)CC1CCCC2N1S(=O)(=O)c1ccc(Cl)cc1
ir: 2 4 10 3 7 3 14 1 1 5 3 11 2 24 2 1 0 3 13 1 1 8 2 15 1 2 5 5 1 4 1 4 4 4 2 1 1 2 1 1 9 6 2 4 2 5 3 1 1 2 3 2 7 4 43 2 2 5 3 2 2 14 4 1 5 4 7 3 3 4 6 6 3 3 4 2 2 5 1 26 1 2 3 35 4 6 4 19 1 7 4 4 100 8 6 2 4 13 4 4 5 2 1 2 2 2 8 7 1 2 2 2 5 4 1 2 3 2 5 6 4 4 4 16 4 9 4 5 7 6 10 7 2 1 1 2 1 2 6 2 2 1 1 6 29 6 13 4 5 0 1 9 6 1 1 1 1 1 1 5 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 1 2 2 2 2 2 1 1 4 2 2 5 22 7 14 15 15 3 17 5 2 2 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 75 75 m 2H | 72 72 s 1H | 47 46 td 1H J 7 66 | 40 39 m 1H | 32 31 dd 1H J 63 135 | 29 29 dd 1H J 63 135 | 23 22 m 2H | 21 21 s 2H | 21 19 ddddd 2H J 53 67 79 119 132 | 18 17 dtt 1H J 54 81 135 | 16 16 d 6H J 7 | 16 15 dddd 1H J 27 54 81 133
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP1(=O)Oc2ccccc2O1
ir: 5 11 10 24 25 3 7 20 12 18 14 2 1 2 3 2 2 2 5 1 1 2 10 7 1 3 2 1 1 3 2 0 1 3 3 11 4 6 2 2 14 5 79 12 33 3 3 1 2 6 4 8 3 8 14 40 2 8 2 2 38 32 45 32 4 3 5 8 16 100 56 7 2 11 13 30 71 12 17 15 81 66 75 6 28 8 16 4 2 2 2 2 1 2 2 2 2 3 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 9 3 6 3 1 1 2 1 1 2 2 2 1 2 3 1 0 3 4 0 41 21 98 19 25 20 14 7 3 1 1 3 4 14 15 2 2 1 1 2 2 4 5 5 4 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 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 3 2 2 1 2 4 2 6 5 39 10 51 13 10 2 1 2 2 3 2 2 2 2 2 2 2 1 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 dd 2H J 32 57 | 72 71 dd 2H J 32 56 | 38 38 d 3H J 110
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c(N2CCC(CCCc3ccccc3)CC2)cc1F
ir: 6 3 2 3 2 1 1 1 3 4 1 1 0 1 0 0 1 1 0 0 1 1 1 0 0 1 1 1 6 3 20 8 26 1 2 3 1 3 4 13 37 15 2 3 5 1 1 1 0 0 0 1 0 1 2 5 3 0 1 1 2 2 5 4 3 2 12 49 56 14 7 7 11 3 4 1 4 2 3 2 1 1 1 1 2 2 3 8 3 5 2 2 1 2 2 3 4 5 17 7 7 7 5 3 2 9 3 7 9 4 2 1 1 2 1 1 2 3 2 4 2 2 3 4 2 1 1 5 4 2 1 1 2 5 6 13 3 4 1 2 2 18 14 15 5 13 5 2 1 2 10 28 59 25 1 2 0 0 1 1 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 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 1 1 0 0 1 1 0 0 2 3 1 3 4 2 1 1 2 1 2 5 6 14 38 57 100 32 19 5 5 2 4 3 2 2 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 17 78 | 68 68 dd 1H J 43 121 | 65 64 dd 1H J 43 121 | 39 39 s 2H | 35 34 ddd 2H J 56 83 122 | 33 32 ddd 2H J 57 84 121 | 26 25 tt 2H J 9 82 | 19 18 ddt 2H J 56 84 123 | 17 15 m 5H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1cccnc1
ir: 5 6 2 3 2 3 1 3 5 20 7 12 7 2 4 3 4 8 31 5 11 10 2 2 7 10 18 7 4 4 3 9 6 3 3 7 23 77 25 60 6 18 17 51 31 14 6 4 16 2 3 4 3 5 3 12 30 12 5 3 8 11 4 25 6 2 5 9 34 46 33 8 3 1 2 2 4 3 5 9 7 3 3 1 2 3 5 16 10 9 14 17 13 5 4 9 2 4 6 6 3 30 12 9 6 47 14 12 33 32 36 24 13 5 16 11 8 5 10 13 22 21 6 32 7 34 18 28 8 8 7 7 11 15 43 33 6 7 8 16 7 3 3 2 9 69 72 83 100 22 7 8 5 15 47 11 26 11 3 5 54 45 8 14 3 1 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 1 2 5 4 4 7 3 2 7 2 5 5 9 9 13 42 36 13 10 3 2 0 2 4 2 3 4 5 12 2 3 5 9 5 6 5 3 6 20 89 58 22 5 4 4 4 1 1 2 2 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 93 92 t 1H J 18 | 87 87 m 1H | 84 84 d 1H J 16 | 83 82 m 1H | 78 78 m 1H | 75 74 dd 1H J 48 79 | 50 49 q 2H J 130 | 28 27 m 1H | 20 19 m 2H | 18 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=C(C)C)N1C(=O)C[C@H]1CC(C)=O
ir: 14 14 10 8 1 50 74 13 4 8 8 7 1 5 6 5 2 7 9 14 7 15 12 7 9 25 25 17 8 6 7 2 3 4 4 3 3 7 4 1 2 4 4 3 8 7 5 2 4 14 6 1 3 6 3 0 3 7 4 1 4 6 3 1 5 7 7 4 13 15 10 8 14 13 4 3 10 9 5 7 15 10 4 3 7 5 2 3 6 9 6 5 11 15 4 3 6 5 1 9 10 15 10 4 6 5 1 4 6 5 3 15 100 26 10 7 11 10 17 9 13 10 6 15 30 9 4 6 6 5 3 14 20 15 14 11 10 12 33 31 39 22 4 7 6 2 3 5 6 10 30 18 6 2 3 15 29 2 3 4 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 10 6 3 7 6 9 9 9 6 5 3 11 12 58 26 20 15 2 4 5 3 2 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 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 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 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 3 1 2 4; 1HNMR: 44 43 p 1H J 86 | 38 37 s 3H | 31 29 m 2H | 28 27 m 2H | 22 21 s 3H | 20 20 q 3H J 14 | 19 18 q 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCNC(=O)Nc1cccc2cnccc12
ir: 0 1 1 4 0 0 1 1 1 0 0 0 4 2 0 0 1 1 1 6 4 2 3 2 3 2 9 2 0 1 1 0 1 1 2 1 1 4 2 4 11 10 35 6 2 6 11 8 1 3 1 1 1 0 0 1 1 0 0 1 1 0 1 0 1 0 0 0 1 1 1 1 1 7 1 1 1 2 7 4 4 2 1 0 0 1 0 3 1 0 0 0 1 1 2 0 0 0 0 0 1 2 1 1 4 3 1 3 4 5 3 3 10 4 3 2 1 1 1 2 1 1 1 2 0 0 1 1 1 2 2 0 0 1 1 1 1 2 3 4 2 2 3 3 1 2 4 5 14 7 100 18 3 1 1 1 1 0 1 1 8 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 2 5 4 6 11 9 7 2 1 1 0 0 1 1 1 1 0 0 0 1 0 1 2 2 2 2 6 13 21 21 4 6 5 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 t 1H J 17 | 86 86 dd 1H J 14 45 | 81 81 s 1H | 78 78 d 1H J 44 | 78 77 dt 1H J 17 85 | 74 74 t 1H J 82 | 73 73 dd 1H J 13 80 | 69 68 t 1H J 46 | 29 29 td 2H J 46 57 | 15 14 m 2H | 13 13 m 6H | 13 12 m 4H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1
ir: 5 3 2 6 3 3 2 2 3 3 2 2 2 2 1 2 3 2 3 3 5 4 2 1 2 1 7 2 2 3 3 3 3 21 9 11 18 52 21 28 11 5 6 7 2 1 1 2 3 2 1 2 3 4 22 12 7 3 2 2 2 1 5 6 2 0 2 2 2 3 18 5 9 8 7 2 1 2 3 2 2 1 2 3 2 1 2 2 2 3 1 5 1 1 2 2 1 24 18 1 1 2 1 1 5 1 2 1 1 2 2 7 14 3 3 2 1 2 2 2 2 3 5 6 3 5 4 1 1 3 3 2 16 11 16 18 3 4 3 1 1 24 20 7 7 14 11 4 100 8 6 18 7 5 8 5 5 3 1 1 3 2 38 13 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 2 1 1 4 2 2 12 37 17 16 9 3 2 2 2 1 1 1 2 2 2 2 1 1 2 2 2 3 4 7 6 19 39 30 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 90 90 d 1H J 20 | 87 87 d 1H J 19 | 87 86 dd 1H J 17 48 | 83 83 dt 1H J 18 84 | 81 80 dd 1H J 19 81 | 79 79 m 4H | 77 77 dd 1H J 48 84 | 75 75 d 1H J 81 | 71 70 q 1H J 16 | 68 67 q 1H J 50 | 30 30 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(-n2cc3c(n2)CCN(C2CCC2)CC3)cc1
ir: 2 1 0 1 1 2 10 10 2 1 2 2 2 6 12 25 5 2 0 2 2 1 1 3 8 1 1 3 3 1 3 2 1 0 1 2 1 0 0 3 2 2 9 10 5 0 1 2 2 1 3 8 13 20 47 20 7 9 7 7 1 2 4 18 13 3 3 4 6 8 2 2 1 1 3 4 4 7 2 3 5 2 2 6 8 19 8 5 6 14 7 6 3 6 1 23 5 7 5 4 2 21 8 5 8 2 2 1 1 1 2 3 5 3 5 3 1 4 4 4 3 2 2 3 1 1 3 1 1 3 2 10 9 6 3 3 3 3 21 9 1 15 100 8 4 4 5 4 2 2 1 2 4 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 2 2 2 2 2 2 9 12 9 44 10 18 9 14 22 6 3 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 s 4H | 75 75 d 1H J 9 | 30 29 m 3H | 29 28 m 4H | 28 27 t 2H J 61 | 18 17 m 4H | 16 15 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)C[C@@H](NS(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1)C(=O)OC(C)(C)C
ir: 6 10 15 5 6 7 5 6 22 31 35 34 12 19 7 21 37 25 44 19 8 6 17 35 10 8 11 9 18 10 28 3 2 6 7 3 2 8 6 1 3 7 6 2 8 9 7 4 4 7 6 9 22 10 13 12 44 29 22 22 4 13 6 9 7 20 37 10 5 7 7 13 31 29 31 6 15 4 9 2 3 2 3 2 20 20 30 52 12 5 3 5 4 8 8 28 8 8 4 1 7 4 6 10 26 50 46 97 27 21 13 8 10 29 56 11 2 7 9 14 5 10 6 7 2 7 3 10 9 33 19 17 8 3 1 3 2 1 2 1 11 7 2 8 63 15 5 42 7 3 50 15 3 1 1 3 6 7 4 17 8 2 2 2 3 3 7 18 5 32 32 11 1 1 2 3 3 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 1 1 1 3 3 2 2 2 2 3 1 3 2 4 4 3 5 10 46 17 5 14 10 4 2 2 37 5 2 1 2 5 5 7 8 15 23 19 13 5 9 25 90 100 64 32 28 29 61 9 4 2 1 2 3 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 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; 1HNMR: 88 87 d 1H J 22 | 84 83 d 1H J 91 | 83 83 s 1H | 82 82 s 1H | 81 81 dd 1H J 20 92 | 76 75 s 1H | 73 72 d 1H J 106 | 62 62 s 2H | 44 43 dt 1H J 73 108 | 30 29 dd 1H J 71 161 | 28 27 dd 1H J 72 160 | 14 14 d 18H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc(-c2ccccc2)cc1)c1ccccc1Cl
ir: 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 3 5 1 1 2 2 1 1 1 6 1 0 0 2 10 2 10 6 2 1 1 2 1 0 0 0 0 1 1 1 3 5 1 1 0 0 0 0 0 0 0 1 1 1 0 4 2 1 1 1 1 1 1 1 1 4 2 1 2 9 16 6 2 9 2 2 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 2 1 1 1 0 0 1 0 0 0 0 1 3 2 1 0 0 1 1 4 8 11 1 2 1 2 16 2 1 1 1 1 4 3 1 2 1 2 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 5 7 30 12 6 3 2 2 2 4 100 14 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 4H | 75 74 m 2H | 74 73 m 4H | 73 72 m 3H | 61 60 m 1H | 27 27 d 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3ncc4ccccc43)cc2)C1
ir: 3 10 7 11 14 13 7 12 8 16 26 7 5 8 3 3 3 4 4 8 7 7 7 6 6 9 5 2 5 5 9 9 11 19 12 5 3 4 13 24 17 9 61 24 31 14 4 1 2 4 4 1 2 5 3 5 12 15 7 6 4 5 4 3 3 3 2 1 7 8 7 2 3 3 3 3 3 4 2 2 2 3 1 6 3 2 2 2 7 3 2 2 3 4 3 5 5 6 6 3 3 4 5 3 8 8 4 9 18 15 10 9 5 10 14 17 10 6 4 7 9 13 17 18 16 15 6 6 7 6 17 14 7 28 6 5 4 6 5 5 4 4 33 52 19 31 11 5 6 8 21 52 8 4 6 3 2 2 2 2 2 2 3 3 12 0 2 3 2 1 1 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 4 3 2 2 3 3 5 4 3 2 2 5 5 9 16 19 43 52 100 25 16 9 6 5 3 2 2 3 4 2 2 2 2 2 3 2 2 2 5 4 9 16 26 16 11 4 3 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 83 83 d 1H J 18 | 80 79 m 5H | 78 78 m 2H | 76 76 td 1H J 11 69 | 74 73 ddd 1H J 15 68 82 | 70 69 d 1H J 84 | 46 46 m 1H | 38 38 m 1H | 36 35 m 2H | 35 34 dddd 1H J 18 55 73 127 | 22 22 dddd 1H J 26 55 77 129 | 19 18 dddd 1H J 45 55 73 130 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2Cc3c(Oc4ccc(N)nc4)ccnc3NC2=O)cc1
ir: 2 2 2 1 3 4 3 1 2 2 3 2 3 3 2 5 4 2 3 2 1 3 4 2 3 4 1 2 1 1 1 4 3 4 12 6 5 11 24 20 4 3 4 1 2 2 4 2 2 4 3 5 13 20 9 3 5 3 2 1 2 3 2 2 1 1 1 1 2 4 3 3 2 2 6 2 1 1 1 1 1 2 1 1 1 1 1 3 6 2 2 1 1 3 2 4 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 3 2 1 2 2 2 1 2 2 1 3 6 2 1 1 1 1 1 1 1 3 3 3 4 9 2 2 2 2 2 2 4 3 6 8 11 6 14 9 4 7 2 2 2 6 31 100 3 5 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 21 6 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 2 2 3 3 7 13 4 2 2 5 12 26 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 95 94 s 1H | 82 81 d 1H J 53 | 75 75 d 1H J 18 | 72 71 dt 2H J 9 86 | 70 70 dd 1H J 19 81 | 68 68 m 3H | 67 67 d 1H J 82 | 54 54 s 2H | 47 47 s 2H | 46 46 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)c(C)c(Cl)c1Oc1ccc(-c2ccccc2)cc1Cl
ir: 8 17 31 13 8 23 1 5 5 3 1 3 3 2 1 3 3 1 3 6 3 4 10 2 3 3 8 8 10 4 6 6 2 4 2 4 4 1 3 4 11 29 16 6 3 2 2 2 1 1 3 4 4 1 4 22 2 3 2 1 2 2 2 2 3 9 4 10 10 9 9 28 5 2 2 5 3 4 5 3 2 1 1 3 10 9 2 1 1 1 1 1 0 0 1 1 7 1 1 0 1 1 9 4 1 1 1 0 0 1 4 3 0 1 1 1 1 5 4 2 2 2 2 2 3 2 3 1 1 1 1 1 2 1 1 10 3 1 1 4 22 14 8 32 8 4 13 1 5 10 20 9 4 6 9 29 21 5 4 0 2 31 8 4 1 1 0 1 1 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 6 6 6 11 16 30 42 10 2 3 2 1 1 1 1 1 0 1 1 1 0 0 2 13 18 1 1 1 1 0 0 1 0 1 2 31 100 2 2 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 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; 1HNMR: 77 76 d 1H J 22 | 76 76 m 2H | 75 74 m 4H | 74 73 ddt 1H J 14 64 81 | 71 70 d 1H J 82 | 64 64 s 1H | 42 42 s 2H | 22 22 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(-n2c(CC)nc3cc(Cl)c(Cl)cc32)cc1
ir: 24 8 4 8 16 12 6 6 0 8 6 7 3 5 12 2 7 3 4 4 4 3 8 8 5 8 7 3 4 2 3 5 8 4 3 8 4 2 5 12 12 2 3 5 3 21 12 6 4 4 11 18 6 4 6 6 19 60 21 3 3 4 3 9 17 2 9 6 64 20 3 5 9 6 9 7 4 2 3 2 2 2 2 1 2 2 4 15 6 4 9 7 6 6 9 10 7 3 9 4 8 15 10 7 3 1 2 2 2 3 4 7 4 21 4 27 6 7 10 15 5 4 3 2 16 30 10 5 9 25 7 3 2 3 2 4 18 8 5 4 3 5 9 10 52 18 2 4 16 4 4 84 77 10 4 3 3 1 1 1 1 1 11 5 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 2 2 4 3 2 3 6 7 17 5 3 3 5 5 5 7 8 10 33 100 10 12 9 3 3 5 4 2 2 2 3 1 1 2 1 1 2 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 s 1H | 76 76 s 1H | 74 74 dt 2H J 9 79 | 73 73 m 2H | 42 41 q 2H J 66 | 36 36 d 2H J 9 | 29 28 q 2H J 69 | 13 13 t 3H J 69 | 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.
COc1ccc2c(c1)Sc1ccc(SC)cc1C(O)C2
ir: 5 5 3 5 7 2 2 4 15 7 3 2 2 2 2 2 6 4 3 2 1 3 2 1 2 2 2 2 2 1 1 1 1 3 2 2 3 2 2 1 1 1 2 1 1 1 1 1 1 0 1 3 4 13 28 8 5 5 3 2 1 2 2 4 3 4 18 25 6 7 3 1 2 2 3 2 2 8 3 2 4 6 1 57 31 27 13 10 14 7 41 7 3 16 4 1 4 2 0 1 1 1 0 0 1 2 4 3 2 5 1 1 5 2 3 2 3 2 2 5 5 2 1 1 1 1 2 3 2 1 1 1 1 0 0 1 1 1 1 7 15 5 1 1 1 0 1 6 5 9 4 5 10 6 4 1 1 1 1 1 3 9 1 1 1 0 0 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 1 1 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 0 0 0 0 0 1 1 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 3 2 2 4 4 3 1 3 3 3 4 5 14 16 5 9 81 27 7 4 3 2 7 9 100 9 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 3 3 2 2 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 72 dd 1H J 21 69 | 71 71 dt 1H J 9 83 | 68 68 d 1H J 24 | 68 67 dd 1H J 25 81 | 52 51 m 1H | 39 38 s 3H | 33 32 ddd 1H J 8 66 154 | 30 30 d 1H J 55 | 30 29 ddd 1H J 8 65 154 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccnc(Br)c1)c1cn(CCOC2CCCCO2)c2ncncc12
ir: 1 3 3 4 0 2 3 3 0 2 3 3 2 3 3 9 6 16 24 9 3 6 4 3 1 2 3 5 3 3 6 16 3 5 6 1 12 100 35 4 16 8 4 5 3 3 2 3 3 6 3 1 2 3 2 1 3 3 4 3 2 2 2 4 13 4 5 13 25 15 14 4 7 8 9 5 5 6 4 9 9 9 2 0 2 2 1 1 2 3 2 1 4 3 2 3 4 2 2 2 9 6 3 4 5 3 9 13 5 2 5 3 9 21 5 4 4 4 4 9 18 11 24 36 21 39 2 3 5 2 13 5 58 2 1 2 2 1 1 3 5 5 2 5 15 17 4 6 2 11 2 3 6 1 19 13 9 4 1 3 7 22 3 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 3 2 3 2 3 3 2 2 2 2 3 2 13 7 5 24 16 7 8 14 16 4 1 1 2 2 1 1 2 2 1 0 2 2 1 0 1 2 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 95 95 d 1H J 18 | 88 88 d 1H J 16 | 86 86 d 1H J 45 | 80 79 d 1H J 22 | 78 77 dd 1H J 21 45 | 77 77 q 1H J 7 | 47 46 t 1H J 33 | 42 41 m 2H | 40 39 dt 1H J 43 108 | 38 38 dt 1H J 44 108 | 37 37 m 1H | 36 35 m 1H | 18 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1CCC[C@H]1CO
ir: 3 6 5 7 7 5 7 6 8 12 24 10 12 27 23 31 42 6 6 7 11 6 10 7 4 4 4 3 3 3 2 2 2 1 2 1 2 1 1 1 2 2 4 2 2 2 2 2 3 1 1 2 2 4 1 0 3 13 26 9 5 3 4 13 18 21 8 5 3 3 10 12 16 10 4 5 3 5 11 31 24 17 10 10 37 16 68 20 100 39 10 15 8 9 8 5 3 1 1 2 2 2 9 10 3 3 1 3 3 6 4 2 3 2 2 3 2 2 5 5 4 1 2 2 3 2 3 2 5 2 2 1 1 2 1 1 3 8 26 11 4 3 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 3 3 2 4 10 3 2 10 11 4 15 3 2 3 5 5 6 4 63 16 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 57 ddt 1H J 58 113 170 | 52 52 ddt 1H J 12 24 168 | 52 51 dq 1H J 18 114 | 37 36 ddd 1H J 42 62 106 | 35 35 t 1H J 62 | 35 34 ddd 1H J 42 61 105 | 34 33 ddt 1H J 15 59 130 | 33 32 ddt 1H J 14 59 130 | 29 28 dddd 1H J 18 32 50 117 | 28 27 ddd 1H J 33 50 117 | 27 26 dddd 1H J 17 29 34 86 | 19 18 m 2H | 18 17 ddtd 1H J 33 51 67 121 | 17 16 ddt 1H J 51 69 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1
ir: 2 1 3 4 4 4 9 3 4 5 7 6 5 5 3 6 5 3 4 3 3 9 3 16 5 3 26 2 2 3 5 4 4 5 12 11 11 15 16 3 15 12 25 45 8 10 4 4 4 3 3 2 2 10 6 4 4 5 6 6 3 2 2 2 1 2 3 5 12 8 4 2 2 1 4 3 1 1 1 0 2 1 1 2 1 1 2 1 2 1 2 1 2 2 4 12 4 7 1 1 1 1 1 1 1 1 1 1 2 1 0 1 0 1 1 1 3 2 2 2 4 4 1 3 11 7 1 3 2 2 2 2 1 2 3 1 3 35 5 12 8 7 8 3 35 26 100 21 6 11 2 7 11 5 3 3 2 5 2 3 57 2 1 3 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 5 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 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 2 3 3 4 10 29 23 4 3 1 3 2 2 2 2 2 3 2 2 5 2 3 3 30 59 5 4 3 1 2 3 3 1 2 5 6 63 11 4 2 1 3 2 2 1 0 1 1 0 0 1 1 0 1 1 0 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 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; 1HNMR: 85 85 d 2H J 18 | 78 78 dd 1H J 51 80 | 76 75 dd 1H J 13 77 | 75 74 dd 1H J 21 80 | 74 73 m 2H | 72 71 td 1H J 13 76 | 71 70 dd 1H J 12 79 | 66 66 s 2H | 49 49 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(CO)CO)c3n2)c2ccc(F)cc21
ir: 6 6 6 5 5 7 5 4 5 4 4 4 10 11 5 8 6 4 2 4 5 10 4 11 10 7 4 6 33 16 10 9 9 17 13 15 7 6 5 7 13 18 5 6 5 6 14 57 11 2 5 6 4 3 5 14 7 3 4 6 5 3 4 5 4 5 11 7 4 3 7 9 6 3 5 6 4 3 5 5 3 3 5 7 6 5 14 19 20 14 19 8 6 6 13 7 17 11 11 14 24 16 21 6 4 5 7 5 3 4 8 7 3 4 5 4 2 4 7 4 5 6 5 4 5 4 5 6 23 9 9 8 5 5 5 3 4 12 5 3 3 5 5 9 7 31 17 4 4 6 6 0 50 13 6 2 22 3 3 4 3 4 4 4 3 4 3 3 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 5 5 3 4 5 4 4 6 5 6 6 7 14 15 100 38 25 12 7 9 22 6 4 5 6 4 4 5 5 4 3 5 8 6 6 7 9 16 25 22 7 3 4 5 5 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2; 1HNMR: 92 92 s 1H | 83 82 dd 1H J 50 83 | 82 81 d 1H J 82 | 75 74 dd 1H J 21 122 | 73 71 m 2H | 48 48 t 2H J 56 | 39 39 s 3H | 38 38 dd 2H J 57 115 | 36 35 dd 2H J 57 115 | 15 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(C(=O)O)c1ccccc1Br
ir: 6 2 2 2 3 3 2 3 3 3 3 3 4 6 18 9 5 3 2 10 74 34 13 7 3 3 3 3 4 3 3 2 3 3 3 2 4 5 2 3 2 3 16 14 3 3 2 2 2 3 3 2 2 3 2 2 2 2 3 4 3 3 2 2 2 2 2 2 2 3 3 3 3 2 3 5 4 14 33 10 4 4 3 3 4 7 7 3 3 3 8 5 3 3 2 2 2 5 3 3 3 3 2 2 3 3 3 3 4 3 4 4 4 3 3 4 5 4 6 3 3 3 2 3 3 3 4 5 3 3 3 3 2 3 3 4 9 3 3 3 3 3 2 4 12 10 3 3 6 2 2 3 2 2 2 2 2 2 4 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 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 3 2 2 2 3 2 3 3 3 3 4 5 4 3 5 3 2 12 10 6 5 2 1 3 4 2 0 60 100 8 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 76 75 m 1H | 74 73 m 3H | 37 36 m 1H | 19 19 dt 1H J 79 132 | 18 17 m 1H | 17 16 dt 1H J 79 132 | 10 10 d 3H J 68 | 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.
CC(=O)S[C@H]1C[C@H](COCc2ccccc2)N(S(=O)(=O)c2ccc3ccccc3c2)C1
ir: 25 7 21 6 6 6 4 12 6 19 24 42 15 4 37 9 18 5 4 2 2 5 7 3 12 6 26 4 3 5 29 17 5 9 5 3 4 4 5 68 49 34 86 5 6 9 4 2 2 2 4 5 4 10 19 6 3 6 3 14 32 19 10 22 26 36 17 21 18 47 7 27 28 34 11 12 8 9 6 16 32 13 21 15 10 61 59 27 87 46 10 13 42 12 21 12 5 38 4 6 16 23 14 20 17 4 14 19 8 3 1 2 4 2 0 3 4 4 4 4 22 28 26 14 10 17 5 4 3 3 4 5 8 4 21 37 9 53 39 8 9 5 28 39 13 9 29 25 27 4 4 10 44 7 1 4 2 14 21 2 1 1 1 2 1 0 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 3 4 5 3 1 4 2 5 9 11 3 2 12 22 15 18 22 40 100 53 89 7 13 4 11 11 6 2 3 3 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 85 84 t 1H J 22 | 81 81 d 1H J 93 | 79 79 dt 1H J 20 79 | 79 78 dd 2H J 19 90 | 76 75 m 2H | 74 73 m 5H | 45 44 m 2H | 39 38 m 4H | 36 36 m 1H | 34 33 ddd 1H J 17 41 115 | 24 24 s 2H | 24 23 m 1H | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cc4ccccc4[nH]c3=O)cc2)CC1
ir: 7 5 3 7 7 14 5 5 3 3 13 10 4 7 4 5 1 1 2 2 9 1 2 2 7 19 6 4 6 2 2 6 5 8 6 9 3 4 3 2 3 5 27 8 64 32 10 1 2 2 2 4 6 3 7 2 5 17 5 3 3 3 3 1 3 2 1 1 1 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 5 1 1 2 3 3 2 1 2 3 9 4 2 2 2 3 16 22 5 4 2 1 1 1 2 2 0 2 7 13 8 4 3 4 11 24 21 9 8 5 5 7 3 3 8 5 12 8 6 13 6 6 2 3 5 2 2 2 3 4 8 29 10 3 3 5 6 84 15 14 4 9 22 4 1 2 1 1 2 4 1 3 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 1 2 3 2 1 2 3 2 3 6 28 4 10 100 24 14 4 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 2 4 3 11 20 56 14 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 s 1H | 80 79 m 2H | 79 79 m 2H | 77 77 dd 1H J 13 84 | 74 73 m 2H | 73 72 td 1H J 13 76 | 37 37 m 5H | 35 35 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.