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COCCOc1cnc2ccc(CC(=O)OC(C)(C)C)cc2c1 | ir: 6 6 3 3 3 15 9 7 5 11 18 6 4 5 10 4 5 4 4 2 4 3 2 2 4 6 2 2 4 13 4 3 2 3 2 1 2 4 14 4 3 4 3 7 2 4 8 45 9 14 3 9 8 16 10 22 51 93 6 1 5 10 7 27 14 11 23 9 7 7 11 35 100 10 8 2 1 4 10 5 3 2 2 2 2 4 2 2 2 4 4 8 22 32 49 68 14 6 5 3 4 3 4 2 8 6 7 16 10 6 2 6 7 4 3 4 4 5 7 18 26 32 14 9 6 18 16 16 21 14 14 20 4 4 2 4 3 1 1 3 3 0 1 10 43 29 24 48 9 16 57 21 6 4 3 10 58 5 4 1 1 2 1 1 2 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 3 5 4 4 4 4 7 6 12 3 3 3 2 7 29 50 19 10 38 57 21 7 5 3 4 3 2 2 3 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 16 | 79 79 d 1H J 82 | 78 77 ddt 1H J 7 18 28 | 75 74 t 1H J 19 | 74 74 ddt 1H J 9 20 82 | 42 42 t 2H J 49 | 37 36 t 2H J 50 | 36 36 t 2H J 9 | 34 34 s 3H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Cl)C1CC(OCc2ccccc2)C1 | ir: 2 3 10 9 3 2 1 4 4 2 2 1 1 1 1 1 1 1 1 0 2 3 2 1 2 1 3 7 13 8 5 21 5 8 3 3 3 5 17 17 14 13 16 2 6 6 2 1 3 2 2 2 1 3 2 1 2 3 2 1 3 7 7 1 13 14 14 8 5 6 3 3 2 3 8 13 11 14 5 5 6 11 3 9 6 2 1 5 7 19 5 4 3 2 2 2 7 10 15 10 6 14 6 15 11 10 9 6 4 2 2 4 3 2 2 2 1 1 1 3 4 4 4 3 4 3 1 2 2 1 2 2 14 12 58 23 100 56 70 6 3 7 26 100 18 13 8 3 4 4 4 4 5 3 2 1 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 5 4 10 10 15 8 11 19 38 23 66 94 67 51 10 3 9 4 2 1 3 2 1 0 1 1 1 1 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 46 45 s 2H | 42 41 p 1H J 49 | 30 30 p 1H J 56 | 25 24 dt 2H J 54 130 | 22 21 dt 2H J 52 132 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)C1C(=O)C(=O)N(c2cc(C)c(=O)n(C)c2)C1c1cccc(C(F)(F)F)c1 | ir: 17 3 4 4 27 8 7 3 7 2 2 3 7 5 5 3 5 16 8 3 3 1 6 2 2 2 3 2 2 3 3 6 21 4 3 4 3 10 8 2 4 5 2 53 12 7 2 30 7 1 2 2 1 1 2 2 2 1 1 2 1 1 2 5 6 7 4 6 8 3 4 2 3 7 2 11 11 4 3 3 4 1 2 3 6 15 26 12 4 6 22 3 1 2 3 5 15 3 26 10 13 3 1 4 2 3 5 14 13 13 7 8 8 41 13 5 4 4 5 5 9 9 4 7 5 4 3 28 31 10 13 10 3 6 7 7 5 7 23 3 10 100 0 30 4 2 3 3 3 3 36 26 6 3 3 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 3 2 1 1 2 3 4 2 9 8 8 5 5 13 5 4 9 27 17 15 9 12 8 2 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 m 1H | 76 75 ddd 1H J 13 23 105 | 75 74 dd 1H J 80 104 | 74 74 p 1H J 13 | 74 73 m 1H | 71 71 p 1H J 10 | 54 54 m 1H | 41 41 dq 1H J 15 77 | 34 34 d 3H J 10 | 22 22 d 3H J 16 | 20 20 d 3H J 13 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(C)s1 | ir: 14 8 2 8 14 8 3 10 14 7 1 9 13 22 3 9 13 6 2 9 12 9 3 9 11 4 3 10 15 4 5 15 10 3 6 11 13 3 5 12 9 2 6 14 10 71 22 22 8 7 8 36 66 0 8 28 15 7 16 17 7 0 8 15 7 1 9 14 10 5 9 13 6 5 10 12 5 3 10 11 4 3 10 15 4 9 11 10 3 5 13 12 44 38 12 10 8 13 12 11 3 6 12 8 2 6 13 8 1 7 13 7 1 8 16 8 2 12 15 11 5 10 16 10 2 8 14 7 4 9 29 10 3 9 12 5 6 12 13 5 16 12 12 21 5 12 14 8 20 15 10 4 9 11 9 27 8 12 8 0 8 100 62 4 7 12 8 2 6 12 7 1 7 12 7 2 7 12 6 2 8 11 6 2 8 11 5 3 9 11 5 3 9 10 4 3 9 10 4 4 10 9 4 4 10 9 3 5 10 9 3 5 11 8 3 6 11 8 2 6 11 7 2 6 12 7 2 7 12 7 2 7 12 6 2 7 11 6 2 8 11 6 3 8 10 5 3 8 10 5 4 9 10 5 4 9 9 4 4 10 9 4 5 10 9 3 5 10 8 4 7 11 8 3 6 11 8 4 6 14 10 5 10 24 15 8 30 32 11 7 12 14 9 5 8 11 6 3 9 11 6 4 8 10 6 4 10 12 8 6 12 51 50 15 16 15 5 5 10 9 5 5 10 9 4 6 10 8 3 6 10 8 3 6 11 7 3 6 11 7 3 7 11 7 2 7 11 6 3 7 10 6 3 8 10 6 4 8 10 5 4 8 9 5 4 8 9 5 4 9 9 5 5 9 9 4 5 9 8 4 5 9 8 4 6 10 8 4 6 10 7 3 6 10 7 3 7 10 7 3; 1HNMR: 79 78 m 2H | 77 76 m 2H | 27 27 d 7H J 16 | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1[nH]c(-c2ccccc2NS(=O)(=O)c2cccnc2)cc1C(N)=O | ir: 3 4 4 9 5 4 4 9 4 6 9 6 6 5 5 34 8 7 3 4 6 14 30 18 5 8 9 4 4 6 5 9 4 22 26 12 22 6 8 12 11 18 17 8 38 31 22 29 15 0 7 9 7 12 6 7 3 1 2 6 7 1 15 5 21 23 5 2 6 10 5 2 2 6 18 8 8 6 10 4 4 7 7 13 0 25 55 5 6 2 2 5 11 15 47 5 3 3 18 3 4 2 1 1 3 2 1 1 3 36 26 14 8 51 17 23 9 13 4 7 16 17 16 4 6 6 6 2 6 1 1 1 2 2 1 3 10 36 5 10 4 4 34 77 26 7 6 4 4 10 3 3 15 20 2 10 10 5 77 17 4 3 2 9 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 2 1 1 2 2 2 1 2 2 1 2 2 2 2 3 3 2 4 5 10 13 24 68 18 7 3 1 1 2 2 3 2 2 1 2 2 1 4 14 24 3 3 2 3 2 8 10 32 100 17 5 21 82 4 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 93 s 1H | 89 89 t 1H J 16 | 87 87 ddd 1H J 14 21 38 | 83 82 dt 1H J 21 86 | 78 78 s 2H | 76 76 td 1H J 13 77 | 75 75 dd 1H J 15 78 | 75 74 m 2H | 74 74 s 1H | 71 70 td 1H J 15 77 | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1cnc(S)n1Cc1cc(F)cc(F)c1 | ir: 14 7 13 5 2 6 3 6 4 5 5 10 5 21 16 5 6 5 3 11 7 4 5 8 4 4 12 10 6 8 14 29 10 3 3 10 13 15 3 6 14 21 5 4 4 4 4 3 3 3 32 8 3 1 2 4 3 1 6 3 3 5 5 6 7 37 22 92 40 12 4 5 5 4 5 3 4 8 6 3 8 5 3 8 29 15 13 16 5 2 4 5 6 19 23 29 17 7 8 13 23 3 3 2 2 3 3 8 0 9 3 3 4 9 7 7 17 12 5 4 3 5 5 4 3 6 16 6 12 5 3 3 3 9 4 4 3 3 2 3 3 2 2 5 12 34 3 2 2 4 3 3 2 3 3 3 3 3 19 14 5 4 3 2 2 3 3 3 3 3 2 2 3 2 3 2 3 3 3 3 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 2 3 2 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 2 3 3 2 3 5 5 3 4 5 5 3 4 7 8 10 6 8 5 20 100 23 31 35 64 13 13 10 6 65 58 8 4 5 3 2 3 3 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 3 3 3 2 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; 1HNMR: 83 83 s 1H | 69 68 m 3H | 56 56 d 2H J 9 | 39 38 s 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)CCOc1ccc2[nH]c(C=O)cc2c1 | ir: 10 9 15 12 8 9 12 13 12 19 40 17 32 13 15 7 12 3 2 2 2 2 1 4 2 2 1 1 2 1 6 17 6 4 32 38 25 25 3 1 2 2 2 0 3 4 6 5 10 5 5 8 17 66 29 12 4 2 3 2 5 5 11 3 24 13 23 12 27 5 5 4 7 5 4 2 4 6 5 3 2 2 2 2 3 12 13 39 45 14 8 20 12 4 3 4 7 5 6 19 62 27 6 23 38 5 3 4 6 2 3 2 1 7 7 1 2 2 4 3 4 7 9 14 9 19 2 3 2 1 1 1 2 3 2 2 1 1 2 4 10 5 36 19 3 1 1 1 1 0 1 4 15 100 6 6 3 2 1 3 4 5 7 1 2 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 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 1 1 1 1 1 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 2 1 1 1 2 2 1 1 1 2 2 2 2 11 10 9 25 29 40 19 7 10 4 2 2 2 2 3 3 2 2 1 1 1 1 1 2 2 2 3 4 9 7 12 46 32 12 4 3 3 3 2 1 1 1 1 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 94 s 1H | 92 91 s 1H | 74 74 d 1H J 73 | 73 72 t 1H J 23 | 71 71 d 1H J 22 | 69 68 dd 1H J 24 73 | 42 42 t 2H J 65 | 29 29 t 2H J 66 | 25 25 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1onc(-c2ccccc2)c1C(=O)OC | ir: 13 7 17 15 7 8 9 7 19 14 22 17 32 21 7 6 5 5 5 9 10 27 28 26 10 11 8 7 5 7 8 16 29 73 9 12 10 9 26 34 10 8 100 39 6 12 6 6 7 5 4 3 4 5 6 5 4 5 4 4 10 6 5 8 9 4 5 8 40 16 47 6 6 5 6 32 17 8 28 19 6 6 4 3 5 5 3 3 4 5 3 4 5 4 3 4 10 4 5 24 7 5 3 4 5 4 5 44 10 5 2 4 5 4 2 5 9 30 16 38 13 13 6 6 5 5 3 12 7 4 0 40 36 9 16 35 3 12 54 11 9 22 58 14 51 26 10 9 5 4 7 31 8 5 9 15 61 6 4 4 4 16 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 6 4 4 4 4 4 4 4 4 4 5 6 7 17 16 8 45 63 40 18 6 5 6 5 5 4 5 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4; 1HNMR: 76 75 m 2H | 75 74 m 2H | 74 74 m 1H | 39 39 s 3H | 39 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NOCc1ccccc1)[C@H]1[C@H](O)CCN1C(=O)c1ccc(OC(F)(F)F)cc1 | ir: 6 9 5 6 10 10 4 8 4 3 4 4 3 3 3 2 3 3 2 6 7 5 3 8 4 2 2 5 5 7 19 10 11 11 16 17 9 26 16 29 37 13 8 6 5 4 4 3 1 2 1 1 2 9 7 4 17 7 3 6 4 1 2 3 2 4 3 4 4 5 3 3 2 1 2 5 2 4 4 3 4 3 4 3 4 8 27 6 9 11 18 51 6 14 11 9 8 23 12 9 9 10 7 4 3 7 2 2 3 10 9 5 5 13 4 5 0 2 2 5 2 4 4 4 8 10 6 3 3 5 31 15 1 4 2 7 1 2 2 1 1 4 5 8 87 24 30 14 29 88 63 51 14 3 2 1 1 2 2 1 1 0 21 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 2 2 3 2 2 5 3 2 3 5 7 18 12 32 100 21 11 7 3 4 5 10 43 5 2 2 2 2 1 1 2 2 2 5 5 5 4 8 49 17 9 6 2 4 2 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 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; 1HNMR: 77 76 m 2H | 74 72 m 8H | 47 47 d 2H J 10 | 44 44 dddd 1H J 18 29 65 101 | 43 43 dt 1H J 18 62 | 40 39 d 1H J 53 | 38 37 dddd 1H J 17 61 80 123 | 37 36 dddd 1H J 18 62 80 123 | 22 21 dddd 1H J 28 60 79 129 | 20 19 ddddd 1H J 18 48 63 80 129 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NNC(=S)Nc1ccc2ccccc2c1 | ir: 0 2 3 1 0 1 2 1 2 2 8 3 4 1 2 1 0 1 2 0 1 1 2 6 4 5 2 2 2 3 5 12 9 23 11 18 6 3 3 1 1 12 4 17 1 2 1 1 1 2 1 0 3 5 7 3 1 3 1 0 7 6 7 5 24 34 9 18 17 8 14 6 2 3 6 6 4 3 1 2 2 2 3 7 18 9 3 5 4 4 1 1 1 1 0 1 4 8 1 8 9 13 2 4 10 3 1 2 5 6 1 1 3 2 1 1 2 2 3 2 2 1 0 3 4 2 1 2 3 3 4 9 29 48 66 27 13 2 2 4 8 5 1 3 6 1 1 3 6 3 14 29 3 15 7 5 6 11 14 2 1 0 1 1 1 0 1 1 2 1 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 1 1 4 13 28 23 3 8 1 2 2 1 2 1 2 2 1 3 23 11 30 6 2 3 3 2 100 60 43 54 5 2 2 2 1 1 1 2 1 1 1 2 1 1 1 3 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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: 88 88 t 1H J 34 | 82 81 m 1H | 78 77 m 3H | 76 76 dd 1H J 21 85 | 75 74 ddd 1H J 14 68 85 | 74 73 ddd 1H J 15 68 83 | 44 44 d 2H J 35 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)NC(C=O)CC(F)(F)F | ir: 5 8 6 5 1 1 2 2 4 2 5 1 1 1 1 1 0 1 1 1 1 1 2 1 1 5 7 6 4 6 9 59 35 16 8 5 15 14 5 2 1 1 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 0 2 3 2 3 1 0 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 1 1 2 6 6 3 1 1 1 3 2 4 2 2 9 13 9 10 18 13 6 16 12 20 11 17 23 43 24 7 5 4 10 17 9 3 3 4 3 7 7 3 13 8 7 8 3 1 2 2 1 1 2 3 2 5 16 65 60 14 10 24 40 15 2 1 2 1 0 1 2 2 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 5 5 4 1 1 3 5 4 12 6 18 8 4 1 2 1 1 1 1 1 1 0 1 2 2 2 2 1 1 1 2 2 0 0 3 4 15 39 100 32 26 5 0 1 1 2 2 2 1 1 0 0 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 dt 1H J 9 86 | 57 56 d 1H J 70 | 45 44 qdd 1H J 24 42 86 | 27 25 dqdd 1H J 9 64 126 190 | 24 23 dqdd 1H J 8 63 126 190 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Clc1nccnc1OCCOc1ccc2ccccc2c1 | ir: 2 1 1 1 1 1 2 2 3 3 10 23 15 5 11 9 3 4 4 5 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 4 13 3 5 3 3 3 3 3 2 2 5 11 20 13 5 2 2 3 10 14 5 3 2 4 3 5 5 2 5 2 2 28 7 13 7 1 2 2 1 0 3 7 11 55 3 4 8 21 2 3 2 2 3 4 2 22 1 3 4 2 2 5 26 5 1 1 3 3 2 5 5 8 25 32 100 6 5 1 1 2 4 3 2 4 2 1 1 1 2 1 1 2 8 19 7 2 2 2 1 2 2 4 70 7 9 5 3 3 2 2 17 2 6 9 6 8 9 2 2 1 1 1 1 1 1 0 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 2 2 2 3 1 3 3 7 8 12 38 27 20 13 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 35 | 81 81 d 1H J 35 | 77 77 m 2H | 76 76 m 1H | 75 74 m 2H | 70 69 m 2H | 46 46 t 2H J 53 | 44 44 t 2H J 53 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccc(F)cc3)cn21 | ir: 1 1 2 1 2 1 0 1 1 1 1 3 2 3 4 3 1 1 0 0 0 1 3 1 1 0 1 0 1 1 1 1 1 1 3 2 10 3 2 4 13 7 11 2 1 1 1 1 1 1 1 1 3 16 43 32 7 9 5 4 3 2 1 2 3 6 8 4 15 6 14 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 3 1 1 1 1 0 1 1 1 1 0 1 1 1 5 4 1 0 1 2 4 1 1 1 1 0 1 1 0 0 4 2 1 1 2 2 1 2 2 1 2 8 3 3 3 1 1 3 2 1 1 1 0 0 1 2 1 8 9 5 11 72 2 2 17 10 8 8 3 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 5 6 7 13 100 24 11 5 8 3 2 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 73 72 t 1H J 9 | 71 70 m 2H | 70 69 m 2H | 69 69 m 2H | 52 51 d 2H J 10 | 42 42 m 2H | 29 29 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(-c2ccc(C(C)CNS(C)(=O)=O)cc2)cc1 | ir: 4 3 1 6 1 1 1 1 1 0 0 1 2 1 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 1 1 1 2 2 3 7 1 3 3 1 6 6 2 1 6 4 4 2 2 2 8 1 0 3 1 2 2 4 22 5 6 5 7 3 2 2 1 1 1 1 1 1 1 2 2 2 21 3 3 3 1 1 1 1 0 2 3 2 3 2 14 16 10 16 11 3 6 3 0 1 1 1 0 1 1 2 2 3 2 2 1 2 2 1 1 3 1 1 4 3 1 1 1 1 1 1 0 1 1 0 0 1 9 10 1 0 0 1 1 0 2 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 6 5 3 3 12 16 7 2 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 2 2 1 31 100 6 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 75 75 m 2H | 73 73 m 2H | 73 72 dq 2H J 9 85 | 55 54 t 1H J 78 | 34 33 ddd 1H J 53 78 137 | 31 30 ddd 1H J 53 77 134 | 30 29 m 1H | 30 29 s 3H | 24 24 d 3H J 8 | 13 12 d 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1CCC(N2Cc3c(CNC(=O)Nc4cccc5ccccc45)cccc3C2=O)C(=O)N1 | ir: 3 2 2 2 1 0 2 3 1 3 4 0 1 2 1 4 8 2 2 3 1 1 1 3 4 4 7 3 1 3 1 0 1 1 1 3 1 1 13 24 3 3 4 10 5 13 12 6 7 4 11 38 5 27 17 3 3 2 2 0 2 2 3 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 8 2 6 1 1 1 4 2 4 3 1 1 2 1 1 2 12 8 1 3 5 4 1 1 2 0 2 4 0 2 2 4 1 3 16 12 6 13 8 3 1 1 2 2 2 1 4 5 2 1 5 4 1 9 3 2 2 2 3 30 14 19 5 13 13 32 21 5 2 1 1 6 10 18 25 3 1 1 0 1 2 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 0 1 0 0 1 2 1 2 1 1 1 3 0 1 3 9 8 15 9 16 3 3 1 1 0 1 1 0 0 0 1 1 1 0 1 1 1 2 4 2 4 9 39 100 19 6 5 1 1 3 2 3 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 81 81 s 1H | 79 78 ddd 2H J 16 76 107 | 77 77 ddt 2H J 15 84 93 | 76 75 m 2H | 74 73 dd 1H J 13 80 | 73 72 m 3H | 69 68 t 1H J 53 | 47 46 t 1H J 58 | 44 43 m 3H | 43 43 d 1H J 152 | 27 26 ddd 1H J 53 81 154 | 25 25 ddd 1H J 53 81 152 | 23 22 ddt 1H J 56 81 136 | 17 16 ddt 1H J 56 81 136 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2CO)cc1 | ir: 4 8 3 3 5 4 3 4 2 10 2 5 3 2 1 3 3 3 2 1 10 3 5 2 3 1 1 1 1 1 1 1 1 2 4 5 1 2 4 4 3 3 48 4 2 4 2 4 20 1 1 2 1 2 5 3 10 11 3 0 1 1 4 2 2 1 1 4 3 2 3 4 3 2 1 3 3 2 6 3 2 2 7 3 3 9 20 15 18 31 2 4 4 8 2 2 4 5 2 1 2 2 0 1 2 3 2 2 2 1 1 7 9 10 17 3 2 3 1 6 10 15 8 2 7 4 4 2 1 1 2 1 2 1 1 4 11 14 6 15 10 3 1 19 7 19 14 8 4 2 2 1 4 1 1 1 1 0 4 1 2 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 2 2 1 2 1 3 2 2 2 1 5 4 3 3 4 8 6 12 83 21 7 3 2 4 7 11 100 18 3 2 2 1 1 2 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 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 dd 1H J 15 76 | 78 78 dd 1H J 15 70 | 76 76 dd 1H J 13 75 | 75 74 m 3H | 74 73 m 2H | 73 72 ddd 1H J 12 73 80 | 70 70 dq 2H J 9 73 | 54 53 t 2H J 9 | 48 48 dd 2H J 9 57 | 39 39 s 2H | 27 26 t 2H J 70 | 26 26 t 1H J 58 | 17 16 p 2H J 68 | 15 14 m 2H | 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. |
CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OCOC)c(OC)c3)nc2n(CCC)c1=O | ir: 5 8 8 5 3 5 7 5 3 8 5 3 3 5 7 7 3 3 4 3 1 3 4 3 8 3 3 2 3 3 2 2 4 5 6 4 3 5 5 5 6 5 10 21 10 4 4 2 8 11 6 6 6 45 23 3 13 12 6 2 6 11 12 5 5 4 10 28 17 41 15 7 14 10 13 25 15 6 7 5 3 4 4 4 12 58 12 16 6 6 3 12 6 11 8 4 6 4 7 14 36 8 12 10 18 26 24 15 44 55 59 27 26 21 13 10 13 34 13 30 8 17 19 21 65 30 9 12 19 11 6 11 15 3 2 5 4 3 4 4 7 3 2 8 19 6 11 27 6 2 14 38 5 5 6 5 4 2 2 3 2 2 4 8 3 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 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 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 1 1 3 3 2 2 3 3 2 2 3 4 2 4 14 10 4 11 10 12 18 13 12 9 9 16 14 21 52 100 100 47 63 60 11 10 1 5 9 7 3 5 11 76 35 29 5 3 2 2 3 2 1 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 3 2 1 2 3; 1HNMR: 75 74 d 1H J 157 | 71 70 m 3H | 69 68 d 1H J 157 | 51 51 s 2H | 41 41 t 2H J 73 | 39 39 m 5H | 35 35 s 3H | 18 16 m 5H | 11 10 m 3H | 10 9 t 3H J 79 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NC(=O)CCCC(=O)O)cc2)cc1 | ir: 3 3 4 14 5 7 7 9 4 6 2 7 5 7 11 11 12 17 12 27 34 100 37 19 19 28 7 11 12 7 4 8 4 19 12 22 21 10 22 16 8 5 3 4 6 9 6 12 9 4 2 3 14 21 36 34 11 5 2 3 2 6 7 3 2 8 3 1 2 8 3 6 15 23 6 3 3 8 26 23 22 20 11 17 41 8 4 5 16 7 4 3 2 2 1 2 6 11 49 12 7 2 2 4 2 2 0 1 2 1 1 3 1 4 16 12 13 7 4 14 9 8 11 8 17 11 8 12 4 3 4 8 13 7 8 11 23 77 38 17 3 7 18 25 9 50 11 4 24 4 6 2 8 1 1 2 2 1 0 1 1 0 4 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 4 4 2 1 3 1 2 2 4 3 3 7 9 19 45 46 17 5 5 4 0 2 3 5 17 4 2 2 1 1 3 1 1 2 5 8 8 19 31 21 10 4 5 1 1 3 1 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 2H | 80 80 s 1H | 79 79 m 2H | 73 72 m 5H | 72 72 m 1H | 25 25 t 2H J 86 | 25 24 t 2H J 90 | 24 23 d 2H J 9 | 19 18 p 2H J 88 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)C1CCC(C)(C=O)CC1 | ir: 4 10 14 13 2 20 23 11 14 23 21 14 13 16 19 14 6 18 25 9 19 12 13 6 3 11 12 4 4 12 12 4 5 13 11 4 7 20 23 13 10 14 10 3 11 18 20 4 17 15 9 2 11 22 21 9 8 15 9 4 10 26 21 15 21 23 23 7 22 15 7 4 10 13 6 4 10 18 9 5 12 12 4 6 37 32 8 6 17 23 9 8 17 22 7 10 14 12 17 13 25 26 13 29 57 87 43 48 43 21 9 12 23 14 28 23 16 12 19 17 38 15 13 17 19 25 9 11 31 13 13 19 19 9 5 11 10 5 6 10 10 7 6 13 14 12 9 13 28 81 100 73 21 2 8 15 12 1 5 14 9 1 6 14 8 0 6 14 7 0 7 15 7 0 7 14 6 1 8 13 6 2 8 12 6 2 9 12 5 2 9 11 5 3 10 11 4 4 10 10 4 4 11 10 3 5 11 10 3 5 12 9 3 5 12 9 2 6 12 8 2 6 13 8 2 7 13 8 1 8 13 7 1 8 13 6 2 8 12 6 3 9 12 6 3 9 11 5 3 10 11 5 4 10 11 5 5 11 10 5 5 11 10 4 6 15 12 5 9 53 26 28 12 22 29 13 14 24 17 12 14 28 44 66 91 43 22 15 9 12 9 4 9 11 7 3 8 11 6 4 9 11 6 4 9 10 6 4 9 10 5 5 10 9 5 5 10 9 4 5 10 9 4 5 10 8 4 6 11 8 3 6 11 8 3 6 11 7 3 7 12 7 2 7 12 7 3 7 11 6 3 8 11 6 3 8 10 6 4 8 10 6 4 9 10 5 4 9 9 5 5 9 9 5 5 10 9 4 5 10 8 4 6 10 8 4 6 10 8 4 6 11 8 3 7 11 7 3 7 11; 1HNMR: 96 96 dq 1H J 10 19 | 18 17 dddd 2H J 9 66 92 130 | 17 14 m 5H | 14 13 m 3H | 11 11 d 3H J 11 | 9 8 dd 6H J 14 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCn1c2c(c(=O)n1-c1ccc(F)cc1F)[C@@H]1CC[C@@]2(C)C1(C)C | ir: 2 4 3 4 2 2 4 3 3 3 3 4 2 3 3 2 5 4 4 7 3 4 5 6 3 3 3 2 3 3 3 3 3 10 5 7 26 42 9 10 9 5 3 2 3 5 7 5 4 3 3 4 3 25 18 4 11 6 13 3 3 4 4 8 8 8 60 8 6 5 21 6 5 6 2 2 3 5 4 2 7 3 2 3 6 5 4 5 4 3 3 7 6 3 3 4 15 17 5 2 2 2 1 3 3 2 2 3 10 3 3 3 6 10 4 3 4 5 6 5 4 4 2 5 4 5 4 6 3 5 2 3 5 3 2 9 17 10 8 15 4 6 4 3 14 6 5 0 6 26 0 13 9 2 4 100 14 3 2 3 3 9 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 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 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 4 4 2 3 2 2 3 4 4 4 10 13 11 14 15 17 19 59 19 17 9 14 4 7 6 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 79 78 m 1H | 70 70 m 1H | 70 69 m 1H | 60 59 ddt 1H J 46 115 169 | 53 52 ddt 1H J 12 24 170 | 52 51 m 1H | 42 41 m 2H | 30 29 ddp 1H J 15 45 59 | 20 19 ddt 1H J 62 79 125 | 19 18 ddd 1H J 61 82 120 | 18 16 m 2H | 11 11 s 2H | 10 10 d 3H J 14 | 10 9 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccc(-c2ccc(C)cn2)cc1 | ir: 4 2 3 12 18 6 5 3 4 7 4 6 4 1 1 3 25 21 2 2 2 2 1 1 1 1 1 2 0 1 2 1 6 27 10 36 5 1 1 1 1 2 1 1 1 1 1 1 1 2 2 24 26 9 9 4 17 6 5 2 0 1 1 2 1 1 3 2 2 5 22 4 1 1 1 2 1 1 1 1 2 1 1 1 0 1 2 1 3 11 1 2 2 1 1 1 1 2 3 3 0 5 3 1 0 0 1 1 0 1 2 1 0 2 4 34 12 4 4 6 9 7 3 41 20 3 2 6 1 1 1 1 3 1 1 11 100 9 4 1 1 3 5 4 38 8 7 24 10 5 2 9 4 3 2 3 1 2 1 14 15 1 1 1 4 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 2 2 1 7 15 27 39 26 34 9 2 2 3 1 1 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; 1HNMR: 84 84 m 1H | 81 80 m 2H | 80 80 m 2H | 77 76 d 1H J 80 | 75 75 m 1H | 39 39 s 3H | 23 23 d 3H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCOC(=O)[C@]1(NC(=O)C(F)(F)F)CCc2ccccc21 | ir: 6 7 6 6 4 2 3 3 3 1 1 2 3 1 1 5 3 7 1 2 3 7 3 3 3 1 1 2 2 1 1 3 2 3 4 3 3 2 6 7 19 66 100 21 11 16 5 5 3 1 2 3 2 0 1 3 1 0 1 3 1 0 2 3 1 1 2 3 1 0 2 3 2 2 7 7 7 1 2 5 1 2 3 2 1 1 2 3 5 2 2 3 1 1 3 2 1 3 11 7 1 3 4 2 1 1 3 2 2 7 16 11 2 2 5 6 2 2 5 3 1 2 3 2 1 4 4 2 2 2 3 1 0 2 2 1 0 3 4 6 2 4 5 4 35 39 12 13 4 12 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 0 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 1 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 1 1 2 1 1 2 2 4 2 2 3 2 1 2 9 9 4 4 19 13 1 2 3 1 0 2 2 1 1 3 5 1 1 2 2 1 1 2 2 1 1 4 48 8 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 76 q 1H J 20 | 73 72 m 4H | 43 41 m 2H | 32 31 dddd 1H J 8 51 69 157 | 31 30 dddd 1H J 8 51 69 157 | 27 26 ddd 1H J 50 70 143 | 25 24 ddd 1H J 51 70 143 | 17 16 m 2H | 14 13 h 2H J 71 | 10 9 t 3H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOCn1c(C(N)=O)c(OC(C)C)c2cc(OC)ccc21 | ir: 8 6 5 7 4 6 7 9 9 8 5 15 11 7 7 8 6 16 7 8 6 8 10 9 10 13 8 5 4 5 6 5 4 5 4 4 4 5 5 4 4 6 6 9 100 10 6 10 7 6 6 7 4 4 14 8 5 5 5 4 5 5 4 5 6 5 7 5 13 13 9 9 5 5 7 8 5 7 6 5 4 9 5 7 13 8 5 5 5 5 5 4 4 4 5 5 4 4 5 4 4 9 6 4 5 4 4 5 5 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 4 7 5 5 7 5 4 4 4 4 4 4 7 4 4 4 6 7 4 4 4 4 7 4 4 4 6 24 8 7 5 28 4 6 27 12 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 4 5 6 5 4 4 5 5 5 10 10 7 6 19 9 7 5 4 4 5 4 3 4 5 4 3 4 5 4 3 12 17 3 3 5 5 3 3 6 6 2 1 14 20 75 13 0 2 7 5 2 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 72 72 d 1H J 83 | 72 71 d 1H J 27 | 69 68 dd 1H J 27 82 | 67 67 s 2H | 53 53 s 2H | 47 46 p 1H J 55 | 38 38 s 3H | 36 36 q 2H J 56 | 13 13 d 7H J 57 | 12 12 t 3H J 56 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccccc1Nc1ncc(Cl)c(C#N)c1Cl | ir: 1 2 2 4 8 17 3 5 6 19 14 6 0 8 3 2 1 1 2 2 3 3 8 13 4 3 2 1 3 5 18 42 13 8 62 23 11 3 3 2 2 7 74 18 23 3 3 9 2 1 1 2 1 1 1 5 2 1 1 4 1 1 1 1 1 1 2 2 2 1 1 4 4 2 1 3 4 1 1 1 1 1 1 3 2 2 1 1 2 2 3 7 2 1 3 3 10 21 5 2 2 4 15 8 0 3 3 1 1 1 1 2 2 2 2 12 3 5 4 5 9 2 2 2 2 2 1 2 3 12 5 7 3 3 16 9 1 44 5 1 1 2 2 1 3 2 2 9 5 34 19 6 8 5 6 4 2 29 1 4 8 66 14 1 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 0 2 4 3 1 3 75 34 8 3 3 1 1 2 2 1 1 1 2 1 0 2 3 1 0 3 3 23 3 14 100 22 47 18 4 5 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; 1HNMR: 84 84 s 1H | 83 83 s 1H | 72 72 ddd 1H J 9 16 79 | 72 71 m 3H | 23 22 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCNC(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1 | ir: 2 1 1 1 4 2 0 2 2 1 0 2 3 3 2 2 4 2 6 6 5 10 4 4 6 8 8 4 6 4 1 5 4 2 2 10 13 7 5 31 28 22 12 22 29 12 16 26 76 17 6 4 2 2 4 1 7 7 16 32 4 7 2 2 3 8 28 28 16 7 2 1 2 2 1 1 4 2 1 2 4 4 2 2 4 2 4 1 1 4 2 2 2 12 4 2 1 1 3 1 2 1 9 19 5 10 25 6 16 2 3 4 5 11 2 1 1 2 1 2 2 4 4 2 1 16 4 2 5 2 1 1 1 1 1 1 1 8 16 12 10 9 10 5 2 3 9 23 26 100 61 44 22 44 4 4 12 26 22 1 6 49 25 12 2 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 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 2 1 1 1 2 2 3 7 4 8 2 7 48 33 15 23 16 5 4 4 3 4 2 3 4 2 2 1 1 1 2 2 6 8 16 24 44 58 64 22 5 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 s 1H | 80 80 s 1H | 75 75 d 1H J 90 | 73 73 ddd 1H J 13 22 80 | 73 72 t 1H J 79 | 72 71 t 1H J 21 | 70 70 d 1H J 90 | 70 69 ddd 1H J 13 22 79 | 63 62 t 1H J 38 | 33 32 qd 2H J 37 61 | 24 24 p 1H J 55 | 12 11 m 6H | 10 9 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc2c(cc1-c1cc(C=O)ccc1N(C)C)C(C)C(C)CC2(C)C | ir: 3 2 2 3 7 5 3 3 0 2 2 4 5 2 1 2 2 7 9 5 5 7 3 2 1 1 3 2 0 0 1 1 2 3 2 5 5 2 1 0 3 2 1 0 0 1 1 3 1 2 3 5 3 10 18 7 10 14 4 4 11 7 11 7 15 10 22 10 16 23 17 16 13 10 15 9 4 3 3 6 2 2 1 2 1 2 2 7 14 4 3 9 10 59 37 13 11 13 4 4 11 4 0 2 22 8 2 3 2 8 3 4 3 6 5 4 8 6 5 14 6 0 4 7 13 22 4 3 6 4 7 11 6 1 0 2 2 2 4 40 8 7 4 3 16 18 13 100 28 6 2 2 1 3 19 5 2 2 1 1 1 6 24 2 55 0 0 1 0 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 5 3 2 2 2 2 2 2 4 3 8 14 8 20 22 16 80 36 29 15 5 2 2 4 2 0 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 80 80 d 1H J 22 | 76 76 dd 1H J 22 80 | 72 71 d 1H J 7 | 70 70 d 1H J 80 | 70 70 d 1H J 6 | 30 29 m 1H | 28 28 s 5H | 25 25 s 3H | 20 19 m 2H | 18 17 dd 1H J 68 124 | 14 14 s 3H | 13 12 m 6H | 10 9 dd 4H J 15 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N[C@@H]1CC[C@@H](CCN2CCC(Oc3c(F)cc(F)cc3F)CC2)CC1 | ir: 3 2 2 3 2 2 5 3 2 5 2 4 4 2 5 3 2 13 7 3 3 2 2 1 2 1 2 4 1 2 5 3 2 1 1 1 1 1 2 2 2 3 3 3 3 4 4 3 3 3 2 1 12 10 10 29 18 8 55 3 6 5 2 3 4 23 100 83 8 7 12 4 2 2 4 35 6 12 4 3 4 18 17 5 10 11 4 4 2 2 1 2 15 3 4 7 5 3 7 5 8 2 4 7 6 6 4 6 8 4 4 3 2 8 1 5 4 5 4 3 7 5 2 10 5 8 15 20 11 13 13 10 12 25 17 29 45 33 3 3 4 4 2 1 1 1 1 2 1 2 2 1 1 2 6 2 2 2 2 1 10 1 1 2 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 6 4 4 3 3 3 4 2 4 6 38 8 27 15 7 11 3 8 1 0 1 2 3 2 3 13 12 32 28 17 15 3 6 10 9 26 12 7 5 5 0 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 68 m 2H | 46 45 p 1H J 44 | 31 30 dddd 1H J 28 35 57 120 | 29 28 ddd 2H J 56 83 121 | 27 26 ddd 2H J 56 83 121 | 26 25 m 1H | 25 24 m 1H | 22 21 dddd 2H J 44 57 84 129 | 19 18 dddd 2H J 44 57 84 129 | 17 12 m 13H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)c2occc2c1=O | ir: 0 1 2 2 0 1 2 1 1 5 3 1 1 3 4 3 4 1 0 1 1 3 5 6 6 1 4 10 2 1 3 5 1 3 4 2 1 1 1 8 12 6 2 1 1 1 1 2 2 10 4 5 5 21 28 14 15 5 2 1 2 2 1 0 0 1 1 2 1 1 0 1 1 1 0 0 0 1 1 6 3 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 4 1 1 1 0 4 1 1 0 0 0 0 0 0 0 1 1 0 2 2 1 0 2 8 5 2 3 24 6 2 1 1 0 0 1 2 2 5 2 7 3 1 1 2 1 0 1 2 0 1 7 1 2 5 7 5 2 22 1 1 11 11 6 100 33 1 26 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 1 5 8 4 5 2 1 1 1 0 0 1 0 0 0 0 0 1 1 3 27 2 1 1 2 3 22 38 11 10 3 3 5 31 19 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 d 1H J 37 | 76 76 s 2H | 75 74 m 3H | 73 73 m 1H | 72 71 d 1H J 24 | 36 35 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2cc(N3CCCCC3)nnc21 | ir: 7 4 1 3 3 5 0 3 4 2 2 8 4 3 1 4 7 2 2 2 3 3 1 3 7 3 2 2 3 3 13 5 5 1 2 11 16 4 3 4 2 2 2 2 2 2 2 3 4 4 8 10 5 24 42 14 5 3 2 3 2 0 3 3 3 4 11 5 2 1 3 3 2 1 3 22 8 2 3 2 1 2 2 3 7 4 4 4 4 17 3 4 2 1 3 3 1 2 3 2 2 1 3 3 4 5 6 3 1 3 5 3 5 3 9 11 5 2 7 2 3 4 8 9 8 6 4 3 2 4 6 5 5 13 8 6 3 11 4 3 1 3 3 1 18 15 5 5 3 5 3 1 3 100 4 1 1 3 3 20 6 5 2 1 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 3 2 1 1 2 2 1 3 7 9 4 9 10 3 1 2 2 2 2 4 1 76 50 7 3 1 1 2 2 1 1 2 2 2 2 3 5 9 10 4 6 4 3 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 86 85 t 1H J 58 | 72 72 s 1H | 40 40 d 2H J 59 | 38 37 s 3H | 37 36 m 5H | 18 17 p 5H J 56 | 16 15 m 2H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NS(=O)(=O)c1cc2c(s1)CCCC2O | ir: 15 12 12 5 7 5 1 5 8 4 2 2 4 3 2 6 6 1 0 2 3 1 2 6 3 1 0 1 1 1 2 1 2 1 2 2 1 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 1 4 1 3 1 0 1 2 3 6 12 6 1 2 4 4 5 3 6 4 5 7 13 9 6 9 19 29 14 26 15 20 100 55 97 81 27 17 18 7 12 6 4 3 3 6 2 7 5 3 4 3 2 2 1 3 2 3 3 4 25 20 9 12 17 27 44 48 4 3 6 3 3 2 2 1 0 2 2 2 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 1 1 1 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 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 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 0 1 2 1 1 1 2 2 2 3 7 5 4 6 4 8 8 2 5 4 2 3 2 3 6 6 4 2 2 6 58 56 9 3 2 2 3 2 2 3 15 70 14 8 5 10 67 63 15 3 11 9 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 81 s 2H | 73 72 s 1H | 48 48 m 1H | 37 37 d 1H J 44 | 29 28 m 2H | 21 20 dddd 1H J 48 61 89 131 | 20 19 m 1H | 19 18 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc2c1C[C@H](C(=O)Cl)[C@@H]2C | ir: 4 1 0 2 14 2 2 4 5 20 9 5 5 3 1 7 8 2 0 1 2 3 3 2 2 1 1 4 2 3 3 2 2 1 1 3 11 10 9 2 1 1 1 1 2 1 51 70 2 0 1 2 1 0 3 9 2 1 2 2 2 2 2 2 1 1 3 5 1 1 3 2 6 5 2 4 1 0 1 2 3 2 3 4 7 10 3 2 4 6 16 3 1 1 5 4 1 1 3 2 1 1 8 13 42 9 6 3 12 10 2 2 2 2 9 4 2 3 6 2 5 5 2 5 3 3 3 6 6 9 7 3 4 4 15 19 7 44 14 19 16 13 5 0 1 2 1 2 1 2 1 0 1 2 2 0 4 4 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 2 2 2 2 1 4 3 3 2 4 4 13 11 11 16 26 11 24 100 22 10 4 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 71 m 1H | 71 71 s 1H | 71 70 m 1H | 37 36 m 2H | 32 32 ddd 1H J 19 43 161 | 30 29 dd 1H J 60 162 | 23 22 d 3H J 7 | 14 13 d 3H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1ncnc1/C(=N\O)c1ccccc1 | ir: 34 28 11 3 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 5 1 1 2 5 1 2 6 3 3 6 16 84 6 2 1 10 19 31 4 10 68 1 2 6 4 0 1 2 1 1 1 1 1 1 6 3 1 0 1 1 1 2 3 2 2 6 8 16 6 1 2 14 13 74 15 6 4 4 2 2 1 2 10 3 1 1 1 1 1 1 2 8 4 1 2 3 30 19 11 13 3 2 1 1 1 1 2 1 1 1 2 7 10 1 1 1 2 23 23 9 7 2 3 2 1 1 4 2 2 8 2 1 14 34 1 2 51 45 4 1 1 2 2 1 2 1 1 11 5 12 3 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 3 1 3 2 0 1 2 1 0 2 3 3 8 12 10 69 97 81 100 52 8 4 0 20 54 10 2 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 75 74 m 3H | 74 73 m 2H | 73 73 m 1H | 40 40 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2nccs2)c1 | ir: 10 6 2 2 1 2 3 2 2 4 3 4 3 4 2 1 1 6 3 4 5 3 2 6 6 14 19 15 11 3 11 17 18 17 2 6 10 3 9 24 59 48 21 8 20 14 8 9 4 7 8 1 2 6 6 5 5 3 3 2 2 1 1 1 2 10 23 11 68 26 13 10 8 4 3 8 2 10 7 3 7 8 3 5 2 12 5 1 14 2 3 5 2 1 13 5 3 8 4 2 2 9 2 1 1 2 2 3 4 14 3 1 2 1 1 1 1 3 3 3 4 3 5 2 3 2 5 7 9 6 3 1 1 3 7 8 1 2 2 2 1 7 21 17 12 62 96 75 30 5 21 4 41 4 5 2 1 1 2 1 14 13 3 8 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 1 1 2 2 3 2 2 2 1 3 4 3 3 11 29 61 72 65 14 8 4 3 4 1 1 2 3 1 0 2 2 1 1 3 6 1 5 6 8 13 19 100 8 7 8 5 3 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 75 75 d 1H J 44 | 74 74 ddt 2H J 9 15 67 | 74 73 m 2H | 73 73 m 2H | 72 71 t 1H J 22 | 71 71 t 1H J 22 | 66 66 t 1H J 23 | 50 50 t 2H J 8 | 47 46 hept 1H J 58 | 13 13 d 6H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C(=O)OC(C)(C)C)C1CCN(c2cncc(Cl)n2)CC1 | ir: 1 5 3 1 1 1 2 1 2 11 17 27 18 24 10 8 16 8 1 3 2 1 0 1 1 1 1 2 1 0 1 1 1 1 0 1 2 2 1 1 2 1 1 1 1 1 1 0 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 3 2 2 4 2 2 1 1 1 1 1 1 1 1 1 2 4 12 2 2 2 2 1 1 1 1 22 8 4 3 1 2 2 2 8 8 2 2 3 2 2 4 2 4 4 3 2 14 34 14 4 2 4 6 4 9 5 7 6 3 4 2 6 5 11 10 9 24 8 4 2 3 3 1 2 6 5 4 1 2 100 1 3 2 0 0 2 4 15 1 1 1 0 1 1 1 4 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 3 2 2 2 2 3 3 3 6 15 3 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 16 | 78 77 d 1H J 16 | 39 38 ddd 2H J 58 85 141 | 38 36 m 3H | 28 28 d 3H J 14 | 22 21 ddt 2H J 57 84 116 | 20 19 ddt 2H J 59 86 118 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(=O)c1ccc(-c2nccs2)cc1 | ir: 1 2 3 2 4 2 7 7 2 6 3 3 4 2 4 7 14 14 14 4 4 3 2 4 5 4 4 5 1 2 3 2 9 12 8 10 5 2 2 2 2 3 3 1 2 3 3 3 20 12 10 48 26 3 7 42 36 6 4 10 3 3 30 34 7 1 1 3 12 14 4 4 5 2 2 3 8 6 2 2 4 2 2 2 7 18 14 4 2 2 4 5 3 31 7 2 7 18 5 3 1 8 24 21 11 3 2 3 1 6 5 17 11 9 4 3 6 13 41 23 7 9 1 6 15 11 9 8 13 27 34 10 6 35 45 25 7 9 5 2 8 5 21 7 5 3 2 2 1 3 12 6 5 3 5 5 39 27 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 5 2 1 6 3 9 4 6 5 4 8 7 9 24 53 22 64 100 65 33 20 8 5 0 3 2 2 0 2 2 2 2 1 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 79 79 m 2H | 79 78 m 2H | 78 77 d 1H J 44 | 74 73 d 1H J 44 | 34 33 q 2H J 76 | 12 12 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1cccnc1 | ir: 1 2 2 3 3 3 2 2 1 4 4 2 1 3 2 2 1 2 2 2 2 2 3 7 11 5 2 2 2 2 2 4 1 2 2 6 12 100 20 4 6 5 3 27 4 3 4 2 7 5 3 3 2 3 5 10 26 6 8 4 2 1 2 2 2 1 1 2 2 12 5 1 13 6 5 9 4 1 1 2 2 1 3 5 7 5 8 6 4 4 4 2 2 1 1 1 1 4 3 3 3 1 2 5 7 2 2 2 7 2 3 12 2 2 5 10 1 2 1 2 3 6 8 9 2 7 5 2 1 11 1 12 2 3 16 2 2 1 2 36 2 1 3 5 2 5 58 14 3 7 14 17 8 18 9 18 5 7 2 0 7 17 2 15 6 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 10 6 3 4 6 35 53 27 28 17 7 3 3 2 1 2 1 1 1 1 1 2 1 1 1 1 2 3 4 21 14 43 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; 1HNMR: 93 92 t 1H J 18 | 87 87 ddd 1H J 16 26 45 | 83 82 m 1H | 80 79 m 2H | 78 77 m 2H | 75 74 dd 1H J 49 79 | 64 64 d 1H J 8 | 19 18 m 2H | 12 11 m 2H | 10 10 m 2H | 10 8 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#Cc1cccc(Nc2ncnc3[nH]cc(-c4cccs4)c23)c1 | ir: 1 0 0 1 0 1 1 1 2 1 1 0 4 2 1 1 2 1 8 18 12 5 6 10 15 6 4 13 8 1 2 3 7 3 11 3 5 3 9 29 69 51 17 13 12 5 5 27 28 8 5 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 5 7 12 3 2 2 8 2 5 5 2 1 2 2 3 3 1 2 1 1 0 2 5 2 2 1 1 1 8 19 3 1 10 4 2 6 2 2 2 5 23 8 2 4 15 3 0 1 1 1 1 5 1 0 0 0 1 0 1 1 1 1 10 2 3 3 1 1 4 3 4 5 12 5 2 2 3 2 42 19 2 1 0 1 1 2 1 5 6 31 100 19 47 6 4 0 31 45 7 1 1 1 0 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 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 7 6 9 8 16 11 2 15 5 4 2 1 1 1 1 1 1 1 1 2 2 2 3 3 1 6 11 12 19 34 50 87 8 3 6 4 2 0 0 1 1 0 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 64 | 91 90 s 1H | 84 83 s 1H | 78 78 t 1H J 22 | 77 77 ddd 1H J 11 20 68 | 75 75 m 1H | 75 74 dd 1H J 12 37 | 74 73 m 2H | 72 72 dd 1H J 50 60 | 69 69 d 1H J 62 | 40 40 s 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)C(=O)Nc1cccc(C2CCN(Cc3c[nH]c4c(-c5ccccc5F)cccc34)CC2)c1 | ir: 1 1 1 1 2 4 7 1 2 4 2 1 6 2 1 5 1 5 1 2 6 1 7 5 19 3 14 4 2 4 7 2 9 6 8 14 11 14 37 6 8 37 100 23 6 2 17 35 18 4 4 3 1 2 2 3 2 2 2 2 1 0 2 2 4 6 7 9 7 2 1 3 1 6 8 7 5 4 5 10 22 11 4 4 2 11 8 7 2 2 3 7 1 4 5 4 2 1 4 32 5 3 4 5 10 12 3 9 12 1 1 2 0 3 1 3 3 3 5 4 12 6 2 1 3 3 11 7 3 2 1 2 1 2 2 4 15 10 13 4 4 4 9 13 9 38 30 79 7 7 2 4 8 12 5 2 11 11 7 2 2 11 29 6 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 3 1 2 3 5 2 3 4 14 10 19 64 81 13 16 3 4 2 2 4 1 1 1 0 1 1 1 1 2 1 4 2 8 11 24 19 21 28 14 6 2 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; 1HNMR: 92 92 s 1H | 78 77 m 2H | 77 76 ddd 1H J 22 39 80 | 75 75 ddd 1H J 12 21 79 | 74 73 m 4H | 73 73 t 1H J 75 | 72 72 t 1H J 78 | 72 71 m 1H | 70 69 ddt 1H J 8 20 77 | 38 38 d 2H J 7 | 28 27 ddd 2H J 52 80 121 | 27 25 m 5H | 21 20 m 2H | 19 18 ddt 2H J 54 81 133 | 12 11 d 6H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C(=O)O)c2)c1=O | ir: 3 6 2 9 6 5 3 9 6 9 7 7 2 4 5 5 4 18 26 16 28 15 57 29 5 6 4 5 3 1 1 3 2 1 3 4 9 4 3 2 2 1 1 3 5 2 2 5 3 16 58 7 5 6 42 9 4 1 3 5 2 0 1 3 2 4 12 39 30 2 2 4 4 6 9 15 3 41 10 25 13 3 10 10 6 4 4 4 7 4 4 3 2 1 2 2 2 2 5 16 11 3 10 41 21 18 5 7 4 13 6 2 2 3 3 3 7 24 4 5 9 3 2 3 4 2 3 5 1 3 3 4 3 2 6 17 7 4 3 1 2 20 10 6 5 5 62 14 8 31 13 12 1 9 14 100 64 8 4 1 3 14 22 69 11 6 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 2 2 6 7 17 22 22 30 42 11 7 2 2 3 2 3 33 2 2 1 1 2 2 1 1 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 22 | 76 76 dd 1H J 21 89 | 75 75 d 1H J 88 | 63 62 q 1H J 14 | 33 33 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(Cc1ccc(OCOC)cc1)C(=O)OCC | ir: 5 5 6 11 23 5 3 3 2 4 4 11 4 3 2 1 1 1 2 2 2 1 0 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0 0 2 3 2 1 1 1 1 2 2 6 3 2 1 2 1 14 16 7 6 3 3 4 2 2 5 3 7 12 14 12 8 4 12 11 12 10 7 7 8 6 2 1 0 1 1 0 1 3 4 3 2 1 1 1 1 3 5 2 3 11 2 2 3 4 2 1 1 2 1 2 2 3 11 25 19 8 6 3 7 14 8 11 9 11 3 4 6 5 4 12 7 5 3 7 5 2 1 1 1 1 1 1 2 4 23 15 17 100 21 39 14 1 6 14 4 2 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 1 2 3 3 8 3 3 2 5 6 4 12 13 10 46 60 7 6 2 5 2 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dt 2H J 9 89 | 69 68 m 2H | 52 52 s 2H | 42 41 p 4H J 64 | 38 37 t 1H J 89 | 35 35 s 2H | 34 33 dt 2H J 9 90 | 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. |
CN1c2nc(C3CCN(C(=O)OC(C)(C)C)CC3F)ccc2N(CC2CC2(F)F)S1(=O)=O | ir: 2 3 4 4 6 7 7 15 11 13 18 18 23 14 7 5 5 3 1 2 4 2 2 1 2 2 1 2 10 2 1 1 2 3 2 1 2 2 4 10 8 7 4 2 1 3 5 2 3 3 1 2 3 3 17 17 3 3 4 2 2 3 2 1 1 8 3 4 9 3 3 3 6 6 6 3 2 1 2 2 11 2 2 3 1 2 7 42 86 6 0 2 6 6 7 3 11 15 7 2 1 4 5 16 4 2 6 2 3 2 5 2 2 8 12 8 5 8 19 16 7 13 11 8 7 2 3 5 7 7 6 8 5 1 3 4 10 4 7 85 2 3 2 0 0 2 3 2 11 7 6 100 5 14 3 1 1 1 1 16 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 3 4 3 7 15 5 14 13 15 2 2 5 2 1 1 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 88 | 72 72 dd 1H J 7 88 | 53 52 q 0H J 44 | 52 51 q 0H J 45 | 45 44 m 1H | 42 41 dddd 1H J 28 42 58 115 | 39 38 ddd 1H J 44 132 172 | 38 37 ddd 1H J 77 104 123 | 37 36 m 1H | 36 35 m 2H | 36 36 s 4H | 25 24 m 2H | 24 22 m 2H | 21 20 m 1H | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Fc1cc(F)c(-c2n[nH]c3c2CCOC3)cc1F | ir: 0 1 4 5 2 3 3 4 0 1 2 8 13 1 3 1 1 1 3 1 1 1 1 1 0 2 3 1 2 2 2 1 2 5 4 1 1 2 2 1 1 2 1 0 1 2 8 2 10 56 30 2 2 2 2 8 2 4 1 0 1 1 1 2 2 4 14 100 22 2 1 1 1 1 6 1 2 2 1 1 1 1 4 0 1 1 0 0 6 4 1 2 3 1 2 1 4 6 1 2 3 3 25 24 9 6 3 1 2 2 4 2 9 4 1 3 2 3 0 2 1 6 2 2 1 8 14 15 1 1 2 2 20 4 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 4 32 4 15 1 23 2 1 0 1 1 1 0 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 2 1 1 1 2 1 2 6 2 5 25 4 2 2 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 2 6 55 80 16 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 s 1H | 74 73 dt 1H J 46 122 | 72 71 td 1H J 43 122 | 48 48 s 2H | 41 40 t 2H J 54 | 29 28 t 2H J 54 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1ccc2c(c1)C(C)(C)CN(C1CC1)C2 | ir: 7 23 7 4 1 3 4 12 11 15 2 2 2 1 1 1 1 1 1 2 3 14 8 25 2 2 1 1 1 1 2 1 1 1 1 51 1 2 2 1 6 11 1 5 4 3 2 1 2 4 3 7 2 3 5 3 29 6 1 0 3 3 2 3 6 2 6 2 12 5 2 1 6 5 5 1 3 5 7 15 6 3 6 8 4 3 3 18 4 5 16 8 5 6 3 12 2 25 7 11 3 6 2 1 1 2 4 2 2 2 1 17 5 14 1 4 5 20 40 8 21 6 10 5 7 21 5 9 3 4 3 5 4 1 2 2 1 1 1 0 1 3 3 2 7 4 100 11 3 3 4 9 4 1 1 1 3 0 1 2 3 1 1 2 1 2 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 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 2 1 2 2 1 1 3 2 11 10 9 26 8 24 30 18 19 7 14 6 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 d 1H J 22 | 78 78 dd 1H J 22 79 | 71 71 dt 1H J 9 79 | 44 44 q 2H J 64 | 38 37 d 2H J 9 | 31 30 s 2H | 25 24 p 1H J 50 | 14 14 t 3H J 64 | 13 13 s 5H | 9 8 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. |
COC(=O)C(NC(=O)OC(C)(C)C)c1cccnc1 | ir: 8 8 10 14 9 8 5 2 4 5 7 7 2 2 1 2 1 1 1 1 2 1 0 7 12 5 6 24 28 17 17 13 31 43 29 14 6 9 5 1 1 2 1 0 1 3 3 2 1 2 2 3 3 3 3 6 5 5 1 0 9 22 21 23 6 15 4 1 2 2 12 1 1 1 1 1 2 2 4 2 2 2 1 1 1 1 0 1 1 2 4 3 2 1 1 2 6 12 15 6 3 1 1 1 2 1 0 2 2 2 2 14 23 4 12 8 13 7 15 20 18 23 6 12 7 14 30 12 16 11 14 17 2 2 1 2 2 1 6 27 13 4 4 23 83 100 22 6 4 31 29 1 6 39 20 0 4 5 8 6 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 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 2 2 3 1 1 1 1 2 1 3 1 7 1 6 6 22 7 8 6 24 15 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 3 4 17 63 48 10 6 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 td 1H J 7 19 | 85 85 dt 1H J 18 48 | 78 77 dtd 1H J 7 18 81 | 74 73 dd 1H J 48 80 | 58 58 d 1H J 84 | 53 53 dd 1H J 9 85 | 37 36 s 3H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccn2nc(C=O)n(Cc3ccccc3)c(=O)c12 | ir: 6 2 2 2 2 5 3 13 4 3 5 5 2 3 2 2 2 2 3 3 2 3 6 6 3 4 6 8 2 4 9 9 2 34 0 6 10 3 3 11 21 2 2 3 6 2 2 3 2 3 5 5 3 5 20 7 2 2 2 1 2 2 2 1 2 2 2 2 10 10 5 2 2 2 2 2 3 3 7 2 2 2 2 2 2 2 3 2 3 8 2 3 4 2 2 2 2 3 8 4 3 3 3 2 11 2 2 2 3 2 2 3 5 6 4 3 7 3 2 2 4 3 2 2 3 3 9 8 10 2 2 5 37 8 7 11 5 9 6 6 6 5 100 14 22 8 2 3 4 8 2 2 7 5 11 16 8 1 3 4 11 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 4 2 2 2 2 2 3 5 5 5 13 9 29 20 7 3 18 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 94 94 s 1H | 77 77 d 1H J 60 | 73 73 m 4H | 73 72 m 1H | 73 72 ddt 2H J 9 16 68 | 52 52 t 2H J 9 | 39 38 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCC(=O)Oc1coc(C)cc1=O | ir: 4 3 2 2 5 4 6 5 4 4 3 3 8 4 2 2 2 2 5 12 9 3 2 3 2 2 3 3 3 2 3 3 5 2 3 3 4 2 11 17 13 8 24 21 5 1 2 4 2 3 5 7 2 3 3 9 6 6 21 11 4 0 8 24 100 18 4 4 9 19 21 7 5 3 2 4 3 2 2 4 15 4 4 3 2 2 3 4 7 11 4 2 2 2 3 5 4 11 15 22 10 3 7 6 10 61 35 21 3 5 5 5 7 5 3 4 5 9 7 19 15 10 5 5 22 11 6 5 15 44 6 3 3 3 3 2 2 4 5 4 11 26 6 13 27 29 9 6 4 6 24 47 28 25 6 3 5 3 4 6 10 33 11 2 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 3 5 5 13 8 5 6 5 5 4 3 9 23 34 6 7 4 7 38 25 19 7 2 4 4 3 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 s 1H | 61 60 q 1H J 13 | 24 24 t 2H J 82 | 23 22 d 3H J 13 | 17 16 tt 2H J 75 82 | 14 13 m 4H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC1(CCC(NC(=O)OCc3ccccc3)CC1)N2 | ir: 7 4 6 8 11 6 14 7 7 6 2 4 5 3 2 13 7 3 1 6 10 2 3 5 4 3 8 12 28 30 28 16 8 5 3 6 5 4 11 14 19 16 10 10 7 6 20 14 24 6 3 5 3 3 4 7 4 0 3 6 3 2 5 5 4 4 5 6 5 8 4 5 2 1 4 6 3 1 4 5 4 2 4 4 7 14 17 8 3 5 5 4 2 8 6 4 3 3 6 4 5 7 6 3 4 5 10 5 1 5 6 5 4 4 7 4 2 4 6 7 3 4 7 3 1 6 4 4 5 6 5 4 4 15 10 3 7 4 4 3 8 20 7 18 25 17 17 13 30 100 8 6 5 26 12 40 23 7 5 2 3 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 4 4 4 2 3 4 4 2 5 7 6 10 6 9 5 5 4 4 3 2 2 4 3 1 2 4 2 2 4 7 4 2 4 6 6 7 48 73 32 25 12 7 8 4 5 4 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 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; 1HNMR: 80 80 s 1H | 78 77 s 1H | 74 73 m 6H | 68 68 s 1H | 53 53 s 1H | 51 51 s 2H | 44 44 d 1H J 75 | 37 36 dp 1H J 50 76 | 24 24 s 3H | 22 21 ddd 2H J 55 81 148 | 19 18 m 5H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Clc1ccc(COc2ccc(Br)cc2CN2CC=CC2)cc1 | ir: 3 2 5 2 4 3 2 3 4 3 19 13 7 4 8 3 4 3 3 5 3 3 18 19 24 8 9 4 2 3 2 2 3 3 3 2 2 3 1 2 1 2 2 2 2 5 5 14 12 4 9 11 41 60 47 7 13 13 6 4 6 21 3 3 3 9 14 14 25 16 5 1 2 3 2 4 8 90 50 14 6 6 16 2 3 6 9 19 12 5 5 14 13 15 13 5 9 18 4 6 7 2 8 7 2 2 2 1 1 2 2 3 11 19 6 8 9 8 5 4 9 8 14 7 3 6 9 5 3 6 8 3 2 1 2 4 8 39 5 2 2 4 5 55 24 14 57 26 7 15 15 42 11 15 1 2 1 0 1 1 7 1 1 2 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 1 1 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 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 5 3 1 3 2 2 4 10 11 14 36 100 79 67 14 28 19 10 4 4 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 75 74 m 4H | 74 74 dd 1H J 23 91 | 74 73 dt 1H J 9 21 | 68 68 d 1H J 91 | 60 59 p 2H J 14 | 51 51 d 2H J 8 | 37 37 d 2H J 10 | 34 33 t 4H J 15 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(C(=O)OCC)c1c(F)cccc1Cl | ir: 37 27 39 19 15 12 14 13 12 11 12 11 16 8 6 6 5 4 4 4 4 4 4 4 5 6 12 8 15 12 6 12 8 4 3 4 4 3 3 5 5 2 4 7 6 3 18 26 15 16 7 0 4 10 6 1 6 8 4 3 6 7 3 2 6 9 21 5 6 5 5 3 8 26 22 14 16 8 4 3 6 6 8 3 4 4 3 3 4 8 20 23 27 26 4 6 8 7 3 5 5 9 10 5 16 13 4 6 6 6 4 6 13 12 4 8 10 16 2 16 27 27 38 23 11 15 21 14 18 34 8 7 6 6 5 19 9 26 27 41 30 15 24 39 71 89 44 37 14 18 6 6 6 6 6 48 68 0 3 5 4 3 3 4 4 3 3 4 3 2 3 4 3 2 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 4 3 3 3 4 3 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 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 6 6 4 4 5 5 8 5 9 11 13 12 11 9 14 28 25 34 49 100 19 6 8 9 5 4 4 4 4 3 3 4 4 3 3 3 4 4 4 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 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 74 73 dd 1H J 13 81 | 73 73 td 1H J 51 82 | 72 71 ddd 1H J 13 82 97 | 49 48 d 1H J 40 | 42 41 qd 4H J 37 64 | 13 12 t 6H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCS(=O)(=O)NCCc1ccc(-c2ccc(C(C)CNS(=O)(=O)C(C)C)cc2)cc1 | ir: 1 1 2 7 2 13 2 3 3 2 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 1 0 0 1 4 2 2 4 2 1 4 3 4 4 8 3 3 19 4 3 11 2 3 1 6 4 1 1 2 4 5 4 16 11 2 6 60 9 4 2 1 1 1 1 1 0 2 2 4 67 15 11 4 2 6 2 1 1 1 1 2 5 3 3 2 7 19 43 100 26 2 5 3 0 2 2 1 3 1 3 2 1 4 1 1 1 4 2 4 2 2 1 2 7 7 1 1 0 0 0 0 0 0 0 0 1 3 4 7 6 0 1 0 0 0 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 4 2 2 2 7 4 7 16 10 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 46 9 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; 1HNMR: 76 76 m 2H | 76 75 m 2H | 73 73 ddt 4H J 8 82 123 | 54 54 t 1H J 70 | 47 46 t 1H J 61 | 33 33 ddd 1H J 57 70 137 | 32 30 m 6H | 30 29 tdd 1H J 9 57 65 | 29 28 tt 2H J 10 59 | 14 13 t 3H J 89 | 13 12 d 3H J 66 | 12 11 d 6H J 84 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)c1cccc(C(F)(F)F)c1 | ir: 6 3 4 4 3 4 6 7 14 4 4 8 3 6 2 8 2 4 2 10 6 3 9 4 3 2 4 2 3 12 7 26 36 14 9 3 3 5 7 20 3 2 1 2 6 5 8 25 37 9 17 14 16 7 13 5 30 17 9 2 1 0 1 1 1 1 7 19 16 18 6 2 7 1 1 2 2 4 7 18 10 12 15 3 4 6 1 1 10 20 10 5 1 7 4 3 3 9 41 36 10 2 4 2 3 4 6 31 32 10 28 38 100 48 34 18 17 11 0 7 6 14 4 12 21 12 11 19 35 6 23 23 6 1 15 6 7 5 5 5 16 20 51 23 9 15 13 7 10 21 12 5 37 7 4 3 2 4 2 1 1 1 1 1 5 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 3 2 2 5 14 9 6 14 10 12 16 8 19 10 24 60 28 72 61 75 40 12 14 8 1 4 4 4 1 2 2 0 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 82 81 t 1H J 21 | 79 78 ddt 3H J 14 71 85 | 77 77 ddd 1H J 13 23 106 | 75 75 dd 1H J 75 106 | 75 74 m 2H | 51 50 s 1H | 21 20 ddd 2H J 51 75 124 | 19 17 m 5H | 17 16 dddt 2H J 49 64 75 125 | 16 14 ttd 2H J 14 48 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | ir: 0 2 2 1 1 2 4 2 1 2 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 1 3 2 2 2 3 6 2 1 1 3 12 2 1 3 14 5 11 4 2 2 1 1 2 1 2 3 13 24 4 2 6 1 4 2 2 2 2 3 7 11 5 5 1 1 1 1 1 1 1 2 1 1 2 2 4 13 6 3 2 1 1 1 1 1 1 1 1 1 4 2 1 2 3 1 1 13 2 1 1 3 6 2 1 1 2 1 0 1 2 1 1 3 2 2 2 1 1 1 2 4 2 1 1 2 2 2 1 2 18 2 7 1 2 2 6 5 6 2 4 19 2 3 28 1 2 71 5 13 10 0 2 6 6 4 18 3 15 1 2 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 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 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 1 3 4 7 15 16 4 6 5 2 3 2 96 5 1 1 1 1 2 1 1 2 3 2 1 2 2 4 4 100 36 18 5 2 3 2 2 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 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; 1HNMR: 85 85 d 1H J 64 | 83 82 dd 1H J 14 80 | 74 74 m 2H | 73 72 m 2H | 71 71 d 1H J 74 | 71 70 d 1H J 22 | 68 67 d 1H J 64 | 63 63 s 1H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CC1(c2ccc(C(F)C3CCCC3)cc2)CC1 | ir: 1 1 6 2 0 1 3 3 1 1 1 1 1 1 1 1 1 2 3 4 3 2 4 14 6 2 4 3 14 1 2 3 4 1 1 1 2 2 2 4 1 1 4 4 5 10 2 1 2 3 3 4 1 1 2 10 100 8 1 1 2 3 1 1 1 1 2 3 2 5 2 3 4 1 3 3 1 1 1 1 1 1 1 1 2 7 2 1 5 10 1 2 8 3 1 1 1 1 4 1 2 2 1 2 3 2 1 2 5 10 5 5 3 3 6 2 2 4 2 3 1 2 4 3 6 3 4 6 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 38 7 5 27 6 2 2 2 1 1 2 7 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 11 2 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 4 4 53 9 4 4 9 12 42 9 5 9 4 16 3 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H | 73 72 dtd 2H J 16 23 89 | 52 52 m 0H | 51 51 dd 0H J 9 57 | 25 24 dh 1H J 56 141 | 19 18 m 4H | 17 16 m 2H | 17 15 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCC(CC)COCCOCCOC(=O)c1ccccc1 | ir: 13 7 6 7 1 3 6 4 3 5 3 9 54 6 10 16 42 7 5 4 7 2 1 2 1 2 1 2 3 4 31 11 13 7 2 2 2 2 3 4 8 36 7 6 8 5 3 4 2 1 2 2 3 1 2 8 2 2 2 1 4 2 4 10 9 11 3 8 11 22 20 3 9 10 12 2 2 4 16 5 4 2 1 1 1 1 0 0 1 1 1 1 1 1 4 6 3 10 5 3 2 1 1 3 2 5 3 10 7 5 11 4 6 20 20 20 80 62 11 6 13 9 16 20 11 4 3 2 3 4 3 1 2 4 36 8 1 3 2 2 3 6 35 75 27 39 58 34 8 0 1 2 1 1 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 4 3 3 5 10 16 6 6 3 6 7 2 12 22 46 17 40 77 100 24 7 4 1 1 2 3 3 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 76 75 m 1H | 75 74 m 2H | 46 46 t 2H J 51 | 38 38 t 2H J 51 | 37 36 m 4H | 35 34 dd 1H J 62 112 | 33 32 dd 1H J 62 112 | 16 15 m 1H | 15 11 m 9H | 9 8 m 3H | 8 7 td 3H J 15 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1nc(N)nc2c1CCc1occc1-2 | ir: 1 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 4 3 4 2 4 4 1 2 3 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 1 2 3 8 6 5 14 3 1 1 1 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 3 1 1 0 1 2 2 0 1 1 0 0 1 0 0 0 0 0 0 0 1 4 4 1 1 1 0 0 1 1 0 0 1 2 100 2 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; 1HNMR: 74 74 d 1H J 24 | 66 65 d 1H J 24 | 62 62 s 2H | 31 30 m 2H | 29 29 m 2H | 26 26 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1 | ir: 1 1 2 1 2 1 2 3 1 1 2 2 1 1 1 3 1 1 2 1 1 1 1 2 4 6 6 2 12 13 19 11 9 7 4 4 13 4 2 8 9 24 25 11 4 4 2 10 6 3 2 0 1 5 2 0 1 2 1 0 1 1 0 0 1 1 2 1 4 6 2 1 2 2 2 1 2 2 3 2 2 1 1 1 2 10 6 4 2 9 11 2 1 2 0 4 3 4 1 1 2 1 0 0 1 1 0 1 2 1 0 2 4 2 1 1 3 7 5 10 15 8 1 6 9 4 8 1 1 1 0 1 2 1 5 28 8 2 2 3 3 8 21 25 24 22 79 33 20 7 9 8 6 4 2 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 2 3 2 3 5 6 7 16 14 22 30 100 38 15 9 6 8 4 2 0 2 1 1 0 1 2 1 0 2 1 1 2 8 6 26 23 10 4 4 5 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 72 m 10H | 69 68 t 1H J 49 | 50 50 t 1H J 7 | 34 34 s 2H | 31 31 dd 2H J 40 49 | 12 11 pt 1H J 39 56 | 5 4 m 2H | 3 2 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1csc(C(F)F)n1 | ir: 9 14 6 13 21 13 44 19 9 19 21 15 29 8 16 10 6 8 6 6 3 8 11 11 13 10 8 8 9 16 46 25 9 7 5 3 3 5 5 3 6 12 6 9 8 8 8 7 8 9 9 7 8 10 11 10 24 25 58 57 26 4 37 36 29 15 18 8 14 14 32 36 54 66 41 85 52 87 55 81 51 67 2 10 29 15 6 5 9 19 12 10 15 11 15 7 10 10 7 14 17 7 6 6 10 7 5 8 12 7 6 12 22 16 12 12 11 20 12 26 33 16 22 46 40 34 16 18 12 20 7 9 8 6 4 6 7 3 3 9 10 10 42 67 75 26 7 3 4 5 6 4 4 4 4 4 4 4 4 4 4 3 4 4 5 22 100 15 5 0 3 7 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 5 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 5 3 2 4 5 3 2 4 4 3 2 5 4 3 3 4 4 3 3 4 4 3 3 4 5 3 6 7 10 4 5 7 6 3 5 8 7 11 6 9 15 14 30 19 18 8 17 14 20 8 14 8 6 4 5 5 4 3 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 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 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 79 79 s 1H | 69 68 s 0H | 44 44 q 2H J 64 | 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. |
Cc1ccnc(-c2cccc(Br)n2)n1 | ir: 2 2 3 2 2 5 1 2 3 3 2 2 2 2 2 2 5 4 2 2 2 2 2 2 2 2 2 5 2 2 2 2 3 12 9 12 7 56 2 4 4 2 2 3 23 0 2 100 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 13 3 3 3 3 2 2 4 4 4 9 25 4 5 4 2 21 4 3 5 2 2 2 2 2 4 3 2 2 2 2 3 3 2 2 2 2 3 2 2 2 2 8 3 3 3 3 3 2 2 2 3 2 2 2 3 2 2 3 12 3 8 13 8 4 2 3 4 3 19 8 1 4 3 2 3 15 11 14 1 4 3 2 19 5 6 35 5 2 3 8 13 27 7 5 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 4 4 3 2 2 2 3 2 3 7 41 24 5 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 48 | 83 83 dd 1H J 11 93 | 77 77 dd 1H J 78 92 | 75 75 dd 1H J 11 77 | 71 70 m 1H | 25 24 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C1CCc3cc(Cl)c(Cl)cc3C1)CC2 | ir: 8 5 6 8 5 10 6 2 16 4 4 9 8 9 13 5 9 15 3 3 2 6 3 7 13 18 3 5 3 10 8 9 6 4 7 3 5 8 3 8 7 3 4 2 2 2 2 3 3 3 6 6 8 1 3 2 9 1 1 1 2 7 4 7 6 17 18 38 74 36 13 5 7 15 6 5 8 5 2 1 1 4 13 9 20 8 18 7 2 2 16 21 49 55 40 10 7 13 9 9 4 4 4 5 3 3 5 5 7 7 7 5 2 5 6 4 8 8 6 5 7 6 18 11 9 5 7 9 7 5 6 9 3 2 3 5 19 14 5 7 9 3 3 3 3 7 8 19 91 22 4 9 15 8 9 2 4 2 1 1 0 1 1 1 0 1 0 0 0 1 1 0 0 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 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 3 3 3 5 8 5 10 4 5 5 5 9 6 20 19 12 39 100 13 7 4 1 2 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dt 2H J 9 101 | 67 66 dt 2H J 9 79 | 39 38 s 6H | 38 37 d 2H J 7 | 37 36 t 2H J 66 | 34 33 t 2H J 61 | 31 30 m 1H | 30 27 m 6H | 27 26 dt 1H J 66 119 | 25 25 dt 1H J 67 121 | 24 23 d 3H J 14 | 21 20 dddd 1H J 54 66 81 122 | 19 18 dddd 1H J 54 65 81 122 | 17 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccc(C(Nc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 | ir: 8 5 12 16 18 13 5 43 10 14 8 3 7 8 38 21 12 7 2 11 6 10 4 4 1 2 10 8 4 2 18 7 12 4 2 3 6 2 3 7 78 100 7 2 6 16 13 3 6 28 5 4 9 5 16 5 9 8 6 2 5 2 1 0 1 1 2 11 3 9 6 0 2 3 9 9 3 4 2 3 7 11 8 2 1 1 0 1 1 6 3 1 4 4 1 1 3 9 8 11 6 17 5 3 14 10 8 6 6 6 5 12 8 11 24 42 22 6 5 5 8 2 3 8 3 3 3 5 11 1 1 2 3 2 37 3 1 3 5 13 16 5 9 80 71 10 3 15 3 13 5 9 7 16 3 2 1 0 1 1 1 7 1 3 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 2 3 4 1 2 2 1 3 10 7 5 9 18 25 86 26 14 8 4 2 1 1 0 2 1 1 1 1 1 1 1 2 2 1 0 1 7 7 20 32 13 2 5 3 2 2 2 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 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 1 0 0 0 1; 1HNMR: 79 79 m 2H | 74 74 m 2H | 71 70 m 2H | 68 68 tt 1H J 12 70 | 67 67 m 2H | 57 56 d 1H J 84 | 54 53 dd 1H J 9 85 | 50 49 ddd 1H J 9 37 60 | 39 39 s 2H | 31 30 dd 1H J 9 117 | 30 29 ddd 2H J 46 72 118 | 29 28 m 3H | 21 20 dp 1H J 49 59 | 19 18 ddt 2H J 48 71 141 | 17 16 ddt 2H J 48 73 143 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCCc1ccc(CN2CC3C=CC2C3)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 | ir: 0 3 7 4 1 5 8 6 7 9 4 5 1 10 8 8 2 3 12 2 4 13 11 13 16 4 3 3 4 15 9 2 4 10 5 1 2 4 14 24 26 26 6 6 8 7 3 1 4 7 3 4 42 21 53 49 23 21 17 2 7 12 6 1 3 4 3 1 5 14 9 15 4 3 1 2 9 13 25 7 5 13 2 2 4 4 6 14 6 6 3 7 7 4 14 27 7 7 11 10 3 2 1 2 4 4 3 2 4 12 7 9 13 5 2 2 4 3 2 8 7 5 4 6 10 8 5 8 6 6 11 18 4 3 3 3 12 10 13 18 7 2 100 44 19 18 25 15 32 25 55 32 12 1 4 4 3 1 2 3 3 0 1 3 3 1 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 2 3 2 2 6 4 4 2 4 8 6 8 25 20 59 95 39 15 8 6 8 4 3 2 3 3 2 1 2 3 2 2 3 4 3 5 5 9 10 36 44 9 3 3 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 79 79 m 2H | 78 77 t 1H J 49 | 77 76 m 2H | 75 75 d 4H J 8 | 72 71 dt 2H J 9 84 | 71 70 dt 2H J 8 82 | 62 61 dddt 1H J 9 18 28 58 | 61 60 dddq 1H J 9 18 37 67 | 40 39 tdd 1H J 20 33 48 | 38 38 dt 1H J 10 125 | 35 35 m 2H | 35 34 d 1H J 52 | 31 30 m 1H | 29 29 tt 2H J 10 53 | 29 28 m 1H | 26 26 tqd 1H J 11 20 40 | 20 19 m 1H | 18 17 ddd 1H J 33 43 104 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1c2ccc(F)c(F)c2OCCN1Cc1ccccc1 | ir: 5 2 2 7 15 18 12 7 23 24 3 3 2 3 16 5 3 2 3 6 4 2 3 3 4 1 3 4 6 5 44 35 40 30 5 2 7 8 97 93 29 6 11 27 60 15 19 8 17 17 7 1 5 5 11 49 13 0 2 4 3 5 6 3 4 1 8 7 24 4 2 2 1 1 5 21 13 14 14 5 2 2 2 1 9 5 7 9 7 39 5 3 2 4 4 6 6 6 11 8 4 3 4 2 1 1 2 2 2 2 2 2 6 9 13 2 1 3 5 7 9 29 35 32 32 19 7 8 30 26 13 5 10 11 31 43 6 12 8 3 32 37 11 24 15 27 5 1 1 42 9 12 3 10 100 23 2 1 2 4 18 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 2 1 4 1 4 4 7 3 1 2 5 4 8 20 29 25 57 50 30 7 7 4 4 4 3 2 0 1 2 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 dd 1H J 50 97 | 73 72 m 5H | 72 71 td 1H J 48 99 | 44 44 d 2H J 8 | 44 43 t 2H J 62 | 38 37 t 2H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)[C@@H]1Cc2cc(CCC(=O)O)ccc2[C@H]1O | ir: 5 2 3 2 9 4 2 4 2 4 10 7 1 2 4 2 2 3 6 9 10 52 16 17 1 3 2 1 1 2 1 1 1 4 2 1 2 0 1 1 1 1 2 3 2 1 1 2 2 0 1 1 1 2 6 5 2 1 0 1 0 1 1 1 1 1 2 2 1 8 2 2 1 1 2 3 4 4 5 32 11 9 27 5 14 8 17 7 5 4 26 3 1 1 2 2 2 2 3 4 2 5 6 1 3 4 1 2 1 2 1 5 2 3 6 3 1 3 8 5 5 3 2 8 1 1 1 4 2 2 6 3 2 2 4 6 1 1 0 1 1 9 5 13 22 5 1 0 1 1 1 1 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 2 1 1 2 1 1 4 3 3 2 2 1 5 5 11 4 5 20 7 2 1 1 2 3 5 100 37 25 4 2 0 1 1 1 0 0 0 1 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 3H | 54 54 m 1H | 42 40 m 2H | 35 35 d 1H J 51 | 31 30 m 1H | 31 30 m 1H | 29 28 tq 2H J 9 88 | 29 28 m 1H | 27 26 dd 2H J 84 90 | 13 12 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(c1cccc(N)c1)S(C)(=O)=O | ir: 9 11 3 4 1 1 4 3 8 4 0 1 1 1 1 1 1 1 1 2 3 3 1 1 1 1 1 1 1 1 2 3 1 2 1 1 2 5 1 1 1 1 1 1 1 1 1 6 5 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 2 1 3 10 8 2 1 3 1 1 1 1 1 1 1 1 2 4 1 1 1 1 23 2 6 8 2 0 0 1 1 1 3 1 1 1 3 4 3 11 3 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 3 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 4 7 1 2 6 3 0 1 2 11 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 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 2 1 2 3 3 6 2 2 4 6 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 11 1 1 1 1 1 1 1 1 1 0 100 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 t 1H J 79 | 71 71 ddt 1H J 9 20 83 | 67 67 td 1H J 7 22 | 66 66 ddd 1H J 12 21 77 | 44 43 m 1H | 35 34 s 2H | 31 31 d 3H J 14 | 17 17 d 3H J 90 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)c1nc(Cl)cc(CCl)n1 | ir: 1 0 1 0 0 0 0 0 0 0 1 1 2 0 0 0 0 1 0 1 5 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 12 10 5 6 3 2 5 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 2 3 18 26 26 2 0 0 0 0 0 0 1 7 5 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 1 1 1 4 3 1 1 0 1 1 0 0 0 0 1 0 1 2 3 1 1 0 0 3 3 3 2 0 1 1 0 0 0 0 0 0 1 1 4 100 7 2 2 1 1 1 0 0 0 0 0 1 3 30 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 0 0 0 0 1 1 0 0 1 1 1 1 1 2 2 4 4 1 10 1 2 22 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 d 1H J 9 | 45 45 d 2H J 9 | 33 33 dq 1H J 64 130 | 13 13 d 6H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)S(=O)(=O)NC1CCCC1(O)c1ccc(OS(=O)OC(F)(F)F)cc1 | ir: 3 1 2 2 2 5 6 5 3 5 10 2 1 3 3 1 1 1 1 1 2 1 3 3 1 2 6 3 8 12 17 10 5 3 4 2 0 1 1 1 1 2 4 2 4 14 11 5 3 5 4 1 5 12 9 3 20 12 4 6 1 2 1 1 1 2 2 0 22 100 3 2 2 1 2 4 1 1 1 1 1 1 1 4 1 1 9 62 3 3 1 1 2 2 1 1 2 3 3 39 6 61 24 50 9 9 1 18 10 13 3 4 4 2 2 3 12 4 1 2 1 1 1 2 2 1 1 1 1 4 6 12 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 7 4 1 1 3 1 1 1 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 2 2 1 3 3 2 2 6 4 4 6 13 5 2 10 42 14 4 1 0 1 1 1 0 1 1 0 0 1 1 3 6 25 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 70 70 m 2H | 61 61 d 1H J 95 | 41 40 dt 1H J 47 94 | 37 36 s 1H | 32 30 dq 1H J 80 161 | 23 22 m 1H | 21 20 m 2H | 19 18 m 1H | 18 17 m 2H | 13 12 t 6H J 80 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(OC)c1ccc(C#N)cc1 | ir: 3 2 2 2 2 2 2 2 5 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3 7 24 4 3 3 3 3 3 5 3 2 4 4 5 2 2 2 2 2 2 2 2 3 3 2 3 3 4 3 5 11 7 8 6 3 4 3 4 2 2 3 3 5 9 5 6 8 2 3 4 3 3 2 7 6 3 4 2 2 2 4 3 2 2 2 2 2 2 2 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 7 7 6 4 6 3 3 4 3 3 3 3 13 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 6 100 5 3 3 2 2 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 0 26 36 10 5 3 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 m 2H | 75 74 m 2H | 53 52 dqt 1H J 10 18 25 | 33 33 d 6H J 15 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2nccc(Oc3cc(C)c(NC(=O)NCCN4CCCC4)cc3C)c2cc1OC | ir: 2 2 13 4 3 10 6 4 2 2 1 1 1 0 1 3 9 14 9 5 4 23 13 7 6 9 5 3 5 1 4 1 3 3 2 9 5 2 11 26 31 53 90 14 10 2 6 4 1 11 14 5 7 7 6 1 2 2 1 3 8 9 4 5 12 6 14 11 56 33 11 16 15 22 7 2 6 10 15 26 5 2 2 6 4 4 3 13 4 4 2 4 6 10 30 3 4 36 2 7 3 5 9 20 3 5 4 6 5 3 2 3 16 2 15 4 2 3 3 3 11 5 4 3 8 4 2 2 1 1 0 2 8 3 1 0 4 10 6 2 1 0 2 3 2 4 5 38 7 4 31 11 10 7 57 49 28 24 12 55 4 1 1 8 2 3 3 5 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 2 3 3 2 2 3 1 1 1 3 4 10 10 6 15 100 33 21 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 5 8 28 44 36 15 4 4 2 3 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 49 | 77 76 s 1H | 74 74 s 1H | 74 73 s 1H | 73 72 t 1H J 42 | 70 69 d 2H J 60 | 67 66 s 1H | 39 39 s 2H | 39 38 s 2H | 34 33 td 2H J 41 56 | 28 27 td 4H J 19 36 | 27 27 t 2H J 55 | 24 23 s 3H | 22 22 s 3H | 19 18 p 4H J 20 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)/C(C)=C/c1cc(F)c(Oc2cccc(N(C)C)c2)c(F)c1 | ir: 7 4 10 15 6 7 2 3 3 4 2 4 5 6 9 3 7 7 9 14 22 16 5 7 4 3 3 5 3 4 4 4 2 2 2 3 2 2 3 3 2 1 2 3 5 5 4 15 24 5 2 3 3 1 1 2 1 1 2 2 10 5 6 16 8 8 20 87 63 18 10 10 5 10 5 4 2 3 4 4 4 5 7 9 6 21 9 4 4 7 10 7 7 9 5 4 6 8 8 42 3 2 2 1 2 2 3 3 13 17 4 3 4 3 3 4 2 4 4 10 8 14 6 9 8 4 3 4 8 3 2 6 7 6 8 4 7 28 3 4 3 18 13 9 5 0 5 25 100 26 7 4 3 8 19 9 22 6 7 3 3 8 19 5 9 7 2 1 1 3 1 0 1 2 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 2 2 1 1 3 3 1 2 3 4 1 7 28 33 6 51 88 27 29 11 3 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dd 1H J 12 20 | 72 72 m 2H | 72 71 dd 1H J 74 81 | 68 67 ddd 1H J 12 22 75 | 66 65 ddd 1H J 12 22 80 | 64 64 t 1H J 22 | 43 42 q 2H J 71 | 29 29 s 5H | 21 21 d 3H J 13 | 12 12 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CO[C@H]1C[C@H]2CC(=O)CC(=O)N2C1 | ir: 0 8 14 16 5 11 14 9 7 12 13 19 7 18 19 7 4 15 14 12 11 16 33 20 15 28 17 10 6 11 9 4 4 9 9 3 5 12 10 4 5 11 9 2 6 14 10 3 6 18 11 2 11 11 16 4 8 53 19 9 12 23 12 5 9 13 7 5 8 16 10 6 10 12 6 5 10 10 6 8 15 9 5 4 8 9 6 8 11 9 4 5 12 10 5 6 11 10 5 6 12 13 13 12 19 21 9 12 13 9 4 8 17 14 6 15 12 11 5 15 19 16 15 45 23 10 11 10 14 8 8 16 19 8 4 9 10 6 5 8 12 10 12 26 60 29 10 19 44 100 62 12 9 4 7 10 8 3 5 9 7 2 5 10 7 2 6 10 6 2 6 10 6 2 6 10 6 2 7 10 5 3 7 9 5 3 7 9 5 3 7 9 4 3 8 8 4 4 8 8 4 4 8 8 4 4 8 7 3 5 9 7 3 5 9 7 3 5 9 7 3 5 10 6 2 6 10 6 2 6 10 6 2 6 10 6 3 7 9 5 3 7 9 5 3 7 9 5 4 7 8 4 4 8 8 4 4 8 8 4 4 8 8 4 5 9 8 5 6 10 8 7 11 17 25 7 15 12 9 9 13 16 12 32 53 23 10 5 8 10 6 3 6 9 6 3 7 9 5 3 7 8 5 4 7 8 5 4 7 8 4 4 8 8 4 4 8 7 4 5 8 7 4 5 8 7 4 5 8 7 3 5 9 6 3 6 9 6 3 6 9 6 3 6 9 6 3 6 9 6 3 6 9 5 3 7 8 5 4 7 8 5 4 7 8 5 4 7 8 5 4 7 7 4 5 8 7 4 5 8 7 4 5 8 7 4 5 8 6 4 5 8 6 3 6 9 6 3 6 9; 1HNMR: 42 41 tdd 1H J 11 21 55 | 41 40 m 1H | 38 37 dt 1H J 21 117 | 35 35 dd 1H J 40 117 | 35 34 m 2H | 33 33 d 3H J 15 | 28 27 dd 1H J 42 152 | 25 24 dd 1H J 70 152 | 24 23 m 1H | 20 19 ddd 1H J 56 67 129 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNC(C)=CC(=O)OCc1ccccc1 | ir: 2 4 4 16 16 7 3 3 3 3 3 1 2 2 3 3 2 2 3 2 2 5 4 2 4 4 14 25 16 19 72 73 33 62 39 28 14 24 19 11 57 9 12 4 6 5 6 3 2 3 3 2 1 1 1 1 1 1 1 1 1 1 2 2 1 6 7 5 9 14 7 7 5 3 6 9 23 29 18 5 4 1 1 1 1 0 1 1 7 3 2 1 1 1 1 1 1 4 2 1 1 1 1 2 2 10 13 9 2 2 1 1 1 1 1 2 3 4 5 9 12 25 18 21 8 11 3 6 2 2 2 1 2 2 3 4 1 2 2 3 2 5 8 41 29 10 100 94 36 5 4 4 4 2 2 2 2 1 6 21 6 3 2 1 1 1 1 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 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 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 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 8 13 51 34 35 19 11 9 1 2 1 1 1 2 1 1 1 1 1 1 0 2 3 4 14 28 47 60 49 35 17 31 67 42 5 3 3 1 0 1 1 1 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 58 57 q 1H J 54 | 52 52 s 2H | 51 51 q 1H J 14 | 28 28 d 3H J 53 | 21 21 d 3H J 15 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)c1cccc2nc(C)c(NC(C)(C)CCS(C)(=O)=O)nc12 | ir: 1 2 1 8 5 6 2 2 5 7 5 3 2 2 4 1 4 6 2 11 16 5 2 2 1 1 3 6 4 3 4 7 19 7 8 8 5 5 8 11 10 4 3 1 2 15 32 4 2 3 1 1 2 6 12 6 1 2 2 1 1 1 2 1 4 2 1 6 2 10 32 6 2 1 1 1 6 3 1 1 1 1 1 2 1 1 19 21 10 5 2 1 4 8 9 6 2 3 2 3 6 3 5 12 26 20 8 3 2 2 5 5 8 5 4 8 17 7 5 23 23 27 27 26 14 8 11 14 8 14 23 23 11 8 3 3 6 1 2 5 48 18 4 7 7 8 21 6 100 3 3 2 8 5 1 1 0 0 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 4 4 1 1 3 5 6 2 1 1 1 2 5 10 13 22 11 12 14 31 4 2 2 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 4 3 0 12 16 51 39 8 3 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 15 92 | 80 80 dd 1H J 15 88 | 77 77 t 1H J 90 | 62 62 s 1H | 32 31 t 2H J 95 | 30 30 s 3H | 27 27 s 3H | 24 24 s 3H | 20 19 t 2H J 95 | 15 15 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CC[C@H]1C(=O)N(C(=O)NC(CC)c2ccccc2)[C@@H]1C(=O)OCc1ccc(OC)cc1 | ir: 1 1 4 10 5 3 9 9 4 1 2 2 5 8 6 4 4 3 4 3 3 4 3 12 4 17 12 1 46 8 9 27 9 14 3 8 9 10 8 12 10 100 30 34 10 6 4 2 5 5 6 19 32 19 12 10 6 4 6 5 3 10 10 9 6 6 3 2 9 20 7 8 11 8 8 4 2 2 4 4 2 2 2 2 3 8 7 8 16 14 4 5 12 4 3 4 9 7 7 4 2 8 3 3 6 21 13 10 11 3 5 8 4 4 4 5 5 6 5 6 3 8 7 12 8 3 5 3 4 2 2 8 8 6 6 15 8 4 4 3 4 15 24 50 77 19 41 29 66 48 5 23 9 1 1 2 2 0 1 2 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 2 6 2 1 3 5 14 22 5 5 21 13 55 68 22 6 7 6 5 1 6 1 2 1 1 1 2 1 1 1 0 1 1 1 1 3 8 39 35 6 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 3H | 73 73 s 3H | 73 72 m 1H | 70 70 d 1H J 88 | 69 69 m 2H | 58 57 ddtd 1H J 18 81 110 164 | 52 51 m 3H | 51 51 m 1H | 49 48 m 1H | 47 46 d 1H J 90 | 38 38 s 2H | 36 35 dtd 1H J 18 83 92 | 25 24 m 1H | 23 22 m 1H | 20 19 m 1H | 18 17 dqd 1H J 50 71 143 | 10 9 td 3H J 15 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(C)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1 | ir: 2 2 2 4 1 1 4 4 0 2 3 4 6 21 2 5 3 10 2 1 2 3 18 25 72 14 2 3 3 1 1 3 3 2 3 3 2 2 2 3 5 8 6 2 4 3 2 5 2 6 4 7 12 19 9 23 18 8 9 4 3 2 3 30 4 2 2 1 2 2 2 5 8 8 3 2 2 6 17 2 2 2 5 14 40 14 0 0 3 4 3 3 5 4 6 1 2 1 0 1 3 2 0 1 2 2 1 5 22 27 19 13 14 11 8 4 1 1 2 2 5 3 3 1 2 2 9 3 1 1 2 2 8 3 2 1 1 1 1 2 1 1 1 1 1 1 1 6 3 5 1 3 7 3 1 100 4 3 3 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 14 4 7 11 5 2 2 1 1 2 1 5 4 1 1 1 1 1 1 1 1 1 2 2 1 3 4 10 20 30 7 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H | 78 78 m 2H | 77 76 d 1H J 53 | 74 74 m 2H | 73 72 d 1H J 51 | 27 26 m 1H | 17 16 dqd 1H J 59 77 134 | 15 14 m 1H | 12 11 d 3H J 73 | 8 7 td 3H J 15 77 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1N | ir: 17 6 7 7 4 3 3 3 3 4 5 3 2 5 5 3 2 3 2 2 2 3 2 2 2 2 3 2 2 2 3 2 5 4 3 2 4 9 3 3 6 8 2 3 2 5 2 2 4 4 3 9 7 16 18 1 7 2 2 1 2 2 1 1 1 2 2 3 7 8 3 1 2 3 2 1 3 5 11 2 1 1 1 2 2 2 2 3 2 2 2 3 2 2 1 2 4 3 2 4 4 11 5 4 2 4 3 2 2 2 2 2 2 4 2 4 4 7 2 3 5 3 3 4 3 6 5 3 2 3 3 2 2 3 4 4 2 3 3 2 2 2 2 4 14 4 19 20 16 7 14 4 9 14 2 6 10 31 52 5 2 3 2 21 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 2 1 1 2 1 1 1 2 1 1 2 2 3 3 2 2 2 2 2 2 2 6 16 7 33 42 7 9 2 3 2 5 2 1 2 2 1 1 1 1 1 1 1 7 29 1 2 2 0 0 2 3 0 2 21 100 84 22 1 1 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 73 73 qd 2H J 15 84 | 72 72 m 2H | 71 71 d 1H J 20 | 71 70 m 2H | 41 40 s 2H | 39 38 ddd 2H J 57 84 123 | 34 33 ddd 2H J 57 84 121 | 29 28 tt 1H J 50 62 | 22 21 m 4H | 22 21 m 1H | 20 19 ddt 2H J 56 84 130 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1ccc(C(=O)C2CCN(Cc3ccccc3)CC2)cc1 | ir: 1 1 1 1 1 2 14 2 1 1 1 2 2 2 1 2 3 2 1 2 1 6 30 17 5 0 1 2 2 12 10 6 2 1 2 2 1 2 8 14 11 9 2 1 1 1 1 1 1 0 2 1 1 1 2 2 2 7 4 2 1 0 1 1 1 0 1 3 7 3 2 1 2 2 1 1 3 28 31 15 7 8 6 1 1 1 2 7 11 9 2 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 2 5 2 3 2 5 2 4 5 8 2 1 1 2 3 8 2 1 3 1 1 1 2 7 5 1 2 6 3 5 2 1 1 1 5 23 13 12 39 6 3 2 1 3 1 3 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 2 1 1 1 2 1 1 2 6 7 12 9 22 10 5 2 3 1 0 1 4 38 100 10 1 1 1 0 0 0 0 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 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; 1HNMR: 81 80 m 2H | 80 79 m 2H | 73 72 m 5H | 35 35 s 2H | 32 31 p 1H J 58 | 29 29 ddd 2H J 54 81 123 | 27 27 ddd 2H J 53 80 123 | 22 21 ddt 2H J 56 81 124 | 19 18 ddt 2H J 55 79 124 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2c(cc1OC)[C@H](CCc1c(Cl)cccc1Cl)NCC2 | ir: 1 1 1 1 1 1 0 2 1 0 0 2 1 3 1 2 2 1 1 1 1 0 0 1 1 1 1 1 1 2 1 3 2 1 1 1 0 1 1 1 2 2 3 2 1 3 15 7 4 5 3 6 2 0 3 2 1 4 2 1 3 1 2 1 2 0 3 4 6 5 4 4 5 1 2 2 2 1 0 1 0 0 1 1 1 1 1 1 0 3 7 2 3 5 4 1 1 1 1 1 0 0 1 1 2 1 3 4 5 8 4 2 3 2 1 1 1 4 3 9 1 2 4 3 1 2 3 12 3 1 2 4 3 2 2 1 0 3 6 2 1 1 2 1 1 1 1 0 1 1 1 0 1 7 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 4 2 9 25 5 1 1 1 0 0 1 1 0 0 1 0 1 0 1 1 1 2 1 100 9 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dd 2H J 14 80 | 73 72 dd 1H J 66 93 | 66 66 m 2H | 40 40 qd 1H J 7 63 | 39 38 s 6H | 36 36 dt 1H J 39 64 | 33 32 m 1H | 31 30 m 2H | 30 28 m 3H | 24 22 dtd 1H J 62 89 136 | 21 20 dtd 1H J 61 88 136 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1c[nH]c(Sc2cc(Cl)ccc2Cl)c1 | ir: 3 3 2 3 7 8 33 6 7 5 1 3 4 2 2 3 4 2 2 3 3 3 4 4 9 24 100 11 2 4 2 4 2 2 3 3 3 2 2 5 6 7 41 13 5 2 2 4 2 1 2 4 4 14 8 3 3 1 2 4 3 6 2 4 3 2 15 7 15 4 5 6 17 6 8 7 3 2 6 3 2 3 4 3 2 3 4 2 2 5 18 4 3 3 7 70 8 2 5 3 0 1 4 2 1 2 3 2 1 2 4 2 1 2 4 8 19 5 7 26 3 2 3 2 1 2 8 3 3 2 3 2 1 2 2 3 19 10 5 3 5 3 55 9 1 9 35 6 4 5 4 14 6 3 4 1 2 4 5 5 2 5 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 2 2 2 3 3 2 4 4 5 3 13 23 8 7 14 23 10 5 2 3 2 2 3 3 2 1 3 3 2 3 3 3 2 4 4 4 4 43 36 24 5 3 3 2 2 2 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 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 73 m 3H | 73 72 dd 1H J 22 71 | 72 72 d 1H J 22 | 70 70 d 1H J 16 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CCN1CCN(c2nccc3ccccc23)CC1 | ir: 7 3 1 7 4 6 3 7 12 11 0 7 18 4 1 3 5 9 6 7 4 1 1 4 4 1 2 9 14 55 37 79 30 8 5 4 4 1 2 9 35 31 6 10 85 22 6 1 13 31 19 3 3 2 4 3 8 4 3 9 45 4 4 5 5 5 3 7 11 4 20 15 19 17 6 10 29 15 17 77 41 10 12 61 27 39 7 4 8 3 2 2 4 6 8 12 7 25 25 22 13 26 11 5 4 13 5 4 3 4 2 28 36 10 7 4 1 4 6 4 2 4 7 7 37 13 6 3 3 8 20 35 30 15 35 20 9 39 23 7 3 5 8 24 26 5 6 5 4 14 8 3 2 3 5 8 33 15 7 5 2 4 2 2 2 2 61 3 3 5 2 0 2 4 2 0 2 4 1 42 5 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 3 2 1 2 2 1 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 3 1 3 3 3 2 6 9 5 3 4 4 3 2 4 8 11 8 20 100 49 31 7 9 5 2 3 3 2 1 3 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 3 2 1 2 3 2 1; 1HNMR: 82 82 d 1H J 49 | 80 80 dd 1H J 12 87 | 78 78 dt 1H J 13 83 | 76 75 m 2H | 75 75 ddd 1H J 13 71 86 | 37 36 m 6H | 29 28 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(O)c2ccccc21 | ir: 9 8 6 11 7 7 7 8 9 5 3 6 8 6 23 16 6 3 2 6 5 3 2 5 5 4 5 9 7 4 4 7 11 5 2 7 24 19 5 6 9 10 48 26 5 4 3 7 4 3 5 6 11 41 22 17 40 11 11 12 4 5 5 6 3 0 3 5 2 2 8 6 3 4 9 20 6 1 4 5 2 1 6 5 1 3 14 39 14 23 8 4 1 2 4 3 1 2 5 4 3 2 8 6 6 16 19 15 5 9 12 7 2 7 10 8 7 57 16 6 7 4 8 6 1 7 13 6 3 10 13 8 3 7 16 5 5 19 5 5 3 5 13 26 11 15 11 5 2 10 17 24 33 79 30 11 5 15 11 27 6 6 4 18 26 8 4 0 3 5 2 1 2 5 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 3 3 4 3 2 2 4 4 2 2 4 3 2 3 5 4 1 3 5 4 1 3 6 7 1 6 9 15 11 18 55 26 13 10 11 8 3 10 12 71 100 6 7 4 3 4 4 3 2 3 5 4 3 8 12 19 18 13 13 7 4 5 4 2 2 4 3 1 2 3 3 1 2 4 3 1 3 5 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1; 1HNMR: 84 84 dd 1H J 15 86 | 80 79 m 4H | 79 79 dd 1H J 15 75 | 78 78 m 2H | 76 75 td 1H J 15 82 | 42 41 t 2H J 62 | 18 17 p 2H J 63 | 16 16 s 8H | 14 12 m 7H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN[C@H](CN)c1ccccc1 | ir: 3 2 1 1 1 2 1 2 1 2 1 2 2 3 1 2 2 1 1 1 2 3 1 1 1 1 1 1 2 3 4 3 4 2 1 1 2 4 1 12 20 11 8 2 5 9 17 7 6 0 11 16 14 4 4 2 2 4 7 4 12 10 7 3 5 3 2 3 2 6 11 6 26 20 32 6 10 11 4 10 17 6 15 11 2 2 1 1 2 4 4 1 1 1 4 3 1 4 1 1 2 2 2 2 3 3 4 4 5 3 5 12 7 7 2 4 2 2 2 6 9 6 3 4 4 5 4 3 4 8 11 30 26 39 23 23 1 4 3 1 2 2 4 6 7 3 2 2 2 1 1 3 1 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 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 2 2 2 2 2 2 1 2 2 2 3 3 8 15 9 6 2 2 2 2 2 2 2 3 2 10 8 13 8 10 5 10 6 15 32 50 100 16 6 2 3 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 5H | 38 38 dddtd 1H J 8 15 30 45 62 | 33 32 m 2H | 30 29 dtd 1H J 38 59 121 | 23 23 dd 3H J 15 50 | 17 16 t 2H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
c1ccc2c(c1)CC(CCN1CCN(c3cccc4[nH]ccc34)CC1)C2 | ir: 2 10 1 4 2 1 1 0 1 2 2 1 1 1 2 6 12 4 1 3 5 8 15 15 3 1 1 1 2 2 7 2 3 1 1 1 0 1 1 3 13 38 34 4 4 7 12 20 14 1 2 2 0 1 3 1 2 4 2 2 1 1 2 2 1 4 2 2 7 1 1 1 1 1 7 2 1 2 2 19 53 5 4 2 15 4 5 7 8 3 2 10 1 2 4 3 4 17 21 3 8 5 6 3 4 3 3 3 4 24 3 4 6 3 2 1 1 1 1 1 1 1 0 1 3 2 4 2 5 4 3 3 2 0 3 1 3 25 21 13 5 8 3 5 8 3 2 11 7 9 1 1 1 3 2 1 1 0 3 14 8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 2 1 1 1 3 3 4 7 7 13 100 34 11 5 10 9 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 1 2 4 9 23 15 11 11 3 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 d 1H J 66 | 72 71 m 7H | 69 68 dd 1H J 18 68 | 67 67 d 1H J 39 | 34 33 m 4H | 30 30 ddd 2H J 8 62 143 | 28 27 ddd 2H J 8 62 143 | 28 27 m 4H | 27 26 t 2H J 80 | 20 19 hept 1H J 61 | 16 15 td 2H J 58 80 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 | ir: 1 4 11 15 1 3 6 3 0 3 4 2 2 3 4 3 1 3 6 5 5 3 3 4 2 3 4 5 8 8 6 5 4 41 23 6 6 19 42 64 30 4 6 7 6 7 7 1 5 12 7 3 9 30 22 2 19 20 16 9 8 11 10 12 9 9 19 16 10 26 10 3 3 3 2 1 3 4 7 2 4 17 4 1 3 4 2 18 6 4 3 2 3 2 1 2 4 7 1 3 3 4 4 10 4 2 1 3 5 2 1 2 10 17 1 2 7 7 32 11 6 5 3 7 19 10 36 20 7 3 3 4 3 2 1 2 3 2 3 5 5 17 6 5 13 41 8 4 54 14 41 31 15 8 7 5 4 0 2 4 3 2 17 13 3 1 1 3 2 0 1 3 1 0 2 3 1 0 2 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 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 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 3 2 1 1 3 2 0 2 3 2 1 2 4 2 1 3 4 7 3 13 33 71 100 84 33 33 14 6 7 6 5 4 4 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 80 m 2H | 80 79 td 1H J 7 21 | 76 75 m 3H | 71 71 m 2H | 38 38 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCN(CC)c1cccc(C)n1 | ir: 3 4 2 3 2 8 15 4 4 2 1 1 1 1 1 7 7 3 3 2 2 2 2 4 5 1 0 2 1 1 2 4 10 17 18 2 1 0 1 1 1 0 1 4 11 66 50 18 6 3 3 1 1 1 1 1 1 2 2 2 1 1 2 10 8 5 4 3 8 4 4 3 3 2 2 1 1 3 10 16 46 21 10 4 4 13 19 3 2 2 1 6 5 1 2 2 1 3 4 7 6 4 2 1 2 1 1 2 1 1 2 2 1 4 5 5 3 4 3 3 4 3 4 7 5 7 6 5 4 11 5 3 5 5 13 22 5 5 10 67 100 16 40 11 18 25 7 3 2 2 2 3 4 5 5 30 32 10 30 15 4 1 5 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 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 1 1 1 1 1 1 2 2 3 1 2 2 1 5 4 5 2 5 5 8 11 22 13 9 62 68 11 5 3 3 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 dd 1H J 70 77 | 67 67 ddt 1H J 8 15 77 | 67 66 dd 1H J 11 69 | 34 33 q 4H J 74 | 25 24 d 3H J 7 | 12 11 t 6H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
c1ccc(N2CCN(C3CNC3)CC2)nc1 | ir: 6 7 17 12 7 6 6 7 5 5 4 5 5 5 4 4 8 18 5 4 4 4 7 9 9 5 4 7 6 6 5 7 7 7 6 6 10 9 69 54 12 14 7 7 6 14 26 17 16 42 31 19 16 0 60 22 7 9 24 44 25 7 6 10 13 5 10 10 5 9 10 6 12 10 9 11 7 7 9 8 8 13 23 10 8 12 16 44 20 11 14 17 7 7 12 10 16 44 36 43 19 6 6 26 36 52 55 7 7 6 5 5 9 6 4 4 7 5 5 7 8 5 5 5 5 4 4 7 6 8 6 9 9 6 9 8 10 11 19 34 34 19 6 9 5 5 7 10 18 17 5 7 7 13 16 7 10 8 52 29 12 6 6 4 5 5 5 3 4 3 4 4 4 3 4 4 4 3 4 3 4 4 4 4 4 3 4 4 4 3 4 4 3 4 3 4 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 3 3 4 3 3 3 3 3 3 3 3 4 3 3 4 4 3 3 4 4 4 4 4 4 4 3 4 4 4 4 4 3 4 4 4 4 4 3 4 3 3 3 4 4 4 3 3 4 4 4 4 4 4 3 4 5 4 6 5 4 4 5 5 7 8 11 9 36 41 16 7 4 5 4 4 4 4 4 4 4 5 3 5 6 4 4 21 100 50 18 5 4 4 5 5 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 81 81 dd 1H J 17 45 | 75 75 td 1H J 17 72 | 68 68 dd 1H J 14 70 | 67 66 ddd 1H J 14 45 73 | 38 37 m 4H | 32 31 m 3H | 29 29 m 2H | 29 28 m 4H | 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)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 | ir: 3 7 6 4 21 7 12 7 3 15 42 32 2 9 7 13 28 3 3 3 8 3 12 6 1 2 1 2 3 4 3 1 3 15 16 7 15 6 3 2 9 22 19 38 4 6 10 2 1 1 1 1 3 5 37 11 2 2 4 1 3 3 3 1 8 40 13 3 9 18 3 1 2 2 2 5 2 3 2 4 3 14 8 15 21 12 100 4 6 12 1 1 3 4 7 7 5 3 1 5 10 5 8 21 11 39 26 5 6 2 5 10 5 6 3 8 3 6 11 21 22 19 19 19 5 8 3 3 4 6 6 5 17 13 3 11 13 6 16 4 5 33 42 9 9 10 8 20 8 8 18 16 3 1 7 2 1 0 1 3 3 4 3 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 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 6 2 3 1 1 1 1 3 2 2 2 3 7 12 9 21 44 33 51 27 15 3 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 81 81 d 1H J 21 | 79 78 dd 1H J 21 96 | 78 77 dd 1H J 16 86 | 76 76 m 1H | 75 74 m 2H | 72 71 d 1H J 97 | 47 46 hept 1H J 57 | 39 39 t 4H J 49 | 39 38 m 4H | 32 32 s 2H | 14 13 d 6H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(=O)c1cc(C)cc2ccn(C)c12 | ir: 11 11 7 5 6 6 3 3 7 8 5 3 2 4 3 2 8 3 8 8 10 5 11 6 2 3 6 4 2 4 6 36 54 72 38 58 13 4 16 14 6 3 3 4 2 1 3 6 8 1 1 2 1 1 1 2 1 1 2 2 3 3 13 18 17 1 6 11 4 2 5 6 23 4 2 8 4 3 2 8 28 3 5 4 1 1 2 2 1 2 5 8 9 50 11 4 1 6 9 6 0 3 17 48 13 15 50 5 3 3 3 3 10 3 2 3 2 6 6 6 7 4 3 3 7 19 26 9 4 3 3 3 12 26 17 7 9 7 37 9 11 7 5 12 5 7 4 5 3 6 13 16 3 2 2 1 1 2 2 0 1 2 10 2 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 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 1 1 1 1 1 2 2 0 1 2 1 2 5 3 2 0 1 2 2 1 2 3 4 2 5 12 11 6 22 36 100 21 56 7 15 9 3 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 d 1H J 27 | 75 75 t 1H J 21 | 72 72 dd 1H J 9 49 | 65 65 dd 1H J 21 50 | 40 39 s 3H | 37 37 s 3H | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c(-c2c(-c3cccs3)nn(C)c2C=O)cc(Cl)c2c1CCCO2 | ir: 1 2 3 3 2 2 5 4 0 2 3 1 1 2 4 2 0 3 8 1 1 3 13 5 3 4 4 4 6 5 4 1 1 3 3 1 2 7 7 3 5 4 3 1 6 3 2 1 3 4 3 1 3 9 7 5 33 6 2 1 15 5 4 8 26 26 13 10 26 12 6 11 9 14 8 4 3 5 2 2 9 2 2 3 5 9 6 1 2 4 29 11 4 4 10 4 5 4 13 4 8 6 7 7 9 6 10 13 5 5 7 27 36 20 25 8 10 9 7 6 14 12 10 7 9 7 3 5 13 18 8 10 7 6 2 3 2 2 6 17 25 6 3 3 3 2 1 3 14 3 2 4 2 2 3 13 17 4 2 4 3 2 2 3 2 0 1 3 2 1 2 3 2 2 3 5 2 1 2 3 2 1 2 2 1 1 2 3 1 2 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 0 1 2 2 1 2 2 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 7 7 3 7 7 8 5 8 7 2 4 5 3 31 100 70 36 40 14 30 10 2 3 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 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 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 dd 1H J 16 49 | 75 74 dd 1H J 17 70 | 74 73 s 1H | 72 71 dd 1H J 50 71 | 42 42 m 2H | 40 40 s 3H | 30 29 m 2H | 24 23 s 3H | 20 19 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)COc1cccc2c1CCN2CCO | ir: 4 1 2 1 2 3 2 3 2 2 1 2 2 1 1 1 1 1 1 1 0 0 3 0 0 0 1 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 6 9 1 1 2 1 1 1 0 0 0 1 1 0 0 1 1 0 2 1 1 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 3 1 1 3 35 1 2 1 1 1 1 1 0 2 0 1 1 1 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 0 0 0 0 1 1 0 2 5 1 2 5 3 2 1 1 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 1 3 2 2 19 6 1 1 0 2 2 3 100 3 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 75 82 | 67 66 dd 1H J 11 82 | 64 63 dd 1H J 11 75 | 47 47 s 2H | 38 37 s 2H | 37 37 m 1H | 37 37 s 2H | 36 36 t 2H J 44 | 35 34 m 2H | 30 28 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12 | ir: 7 4 7 4 5 7 5 2 2 9 9 8 6 8 6 8 3 2 1 8 3 3 3 5 15 10 7 14 20 7 12 19 14 11 2 15 11 9 4 11 47 40 9 5 7 7 4 4 9 18 7 5 8 11 23 5 5 5 3 2 3 4 2 2 2 2 1 5 15 11 5 3 1 2 2 5 2 2 2 31 22 5 4 9 14 7 13 8 6 5 3 4 2 2 5 3 6 16 19 25 23 10 6 12 5 5 2 1 4 4 2 3 3 3 9 5 3 6 11 21 60 10 4 5 8 10 1 4 2 6 4 2 4 3 4 10 7 6 2 3 10 7 42 10 3 4 8 100 30 7 10 7 23 34 5 3 2 1 2 11 3 2 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 10 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 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 1 1 1 3 2 2 2 2 2 3 3 4 6 6 7 36 23 42 21 36 16 7 5 2 3 2 2 2 0 1 1 1 1 1 1 1 1 1 2 3 8 12 26 22 5 2 2 3 2 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 81 81 dt 1H J 8 77 | 78 77 d 1H J 72 | 77 77 dd 1H J 12 80 | 75 74 t 1H J 79 | 72 71 ddt 2H J 9 35 82 | 71 70 m 2H | 37 36 dt 2H J 46 115 | 35 35 dt 2H J 48 115 | 28 27 m 7H | 27 27 td 2H J 8 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](C(F)F)C2)cc1 | ir: 6 4 18 15 27 13 18 4 7 10 3 19 38 5 9 3 2 5 2 1 2 3 2 2 16 3 17 2 2 1 2 2 9 3 2 1 1 2 1 1 2 2 1 1 1 1 1 2 3 3 8 2 7 33 3 2 9 3 2 1 3 2 10 5 2 6 9 3 2 5 3 16 4 2 2 32 18 36 14 3 5 15 2 1 15 2 4 19 100 16 6 15 49 28 10 3 1 2 3 4 6 4 3 3 2 1 1 3 1 1 2 2 1 1 1 1 2 2 6 3 3 3 3 2 5 18 3 1 2 3 1 1 1 2 2 4 2 1 1 1 1 1 1 1 1 1 31 3 2 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 5 3 2 3 6 6 16 7 5 2 1 2 5 64 44 55 0 2 2 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 77 76 m 2H | 75 74 m 2H | 60 60 dd 1H J 26 44 | 43 43 d 1H J 53 | 40 39 qt 1H J 29 59 | 39 38 m 1H | 38 37 ddt 1H J 31 49 112 | 36 35 d 1H J 62 | 35 34 m 2H | 32 32 dd 1H J 58 126 | 24 24 d 3H J 8 | 24 22 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CCc1cc(OC)c(OC)c(OC)c1 | ir: 6 3 4 4 10 5 1 4 4 2 3 2 2 2 3 2 3 2 2 4 6 12 18 8 6 2 4 5 4 6 3 2 2 1 2 7 2 1 1 2 3 11 1 1 1 1 1 1 2 3 1 2 2 3 9 7 4 4 8 8 1 2 10 30 14 8 5 21 39 27 14 15 42 15 10 19 6 3 5 12 2 2 1 1 0 1 1 1 4 2 25 21 15 10 10 10 8 10 14 16 17 6 3 1 2 1 1 1 3 2 9 14 32 17 3 17 19 10 15 7 15 9 9 10 10 7 12 11 10 10 10 5 10 5 4 2 1 2 8 18 3 5 5 6 40 12 6 3 3 1 0 1 1 1 1 3 20 2 1 3 6 44 14 6 2 1 0 1 0 0 0 1 0 0 0 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 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 0 0 1 1 1 4 2 6 9 3 2 5 8 11 6 6 1 5 6 6 21 46 8 13 100 29 6 3 3 2 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 65 65 d 2H J 9 | 42 41 q 2H J 66 | 39 38 d 9H J 22 | 29 28 tq 2H J 8 83 | 27 26 m 2H | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)NCCc1c(C(C2=C(O)C(c3ccccc3)CC2=O)c2c[nH]cn2)[nH]c2ccccc12 | ir: 9 11 6 10 12 4 5 4 7 3 1 2 3 2 2 2 3 3 3 2 2 7 2 2 2 2 1 3 2 3 3 10 3 4 4 2 4 10 2 7 16 59 8 23 10 6 6 2 3 2 2 4 2 2 1 1 2 1 1 3 5 3 6 2 6 4 5 5 6 3 13 7 3 2 5 18 12 22 4 33 8 5 6 5 9 4 4 8 15 23 8 4 5 4 7 21 20 7 5 14 4 9 6 4 7 9 6 4 10 18 14 5 3 5 3 7 6 13 5 20 7 18 12 8 3 7 8 5 4 4 8 4 2 3 4 0 7 15 19 5 5 5 6 9 15 8 4 2 2 2 5 5 14 2 2 2 2 7 7 4 2 2 1 2 3 1 18 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 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 2 3 5 3 2 8 9 7 5 4 9 8 10 8 9 41 22 13 100 30 10 8 8 5 1 3 57 7 4 4 17 11 3 2 2 1 1 1 3 3 4 11 16 11 17 21 10 2 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; 1HNMR: 92 92 s 1H | 79 78 dd 1H J 16 60 | 75 75 m 1H | 73 72 m 7H | 72 71 m 3H | 68 67 m 1H | 60 60 dd 1H J 50 60 | 49 48 d 1H J 9 | 38 37 td 1H J 11 62 | 35 34 m 5H | 32 31 dd 1H J 62 147 | 30 29 dd 1H J 62 148 | 20 19 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)NNC(=O)c1ccc(-c2ccccc2)o1 | ir: 2 2 1 2 1 2 2 1 1 3 2 1 1 6 1 1 1 2 1 1 1 1 1 1 2 2 3 1 2 2 3 5 12 5 6 3 2 4 6 5 35 13 2 1 1 1 1 1 1 1 1 1 0 2 1 1 1 1 1 0 0 1 2 0 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 4 1 1 1 1 2 1 3 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 3 4 3 3 4 2 1 3 5 100 10 6 13 2 4 2 1 4 19 9 3 2 0 3 1 1 0 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 1 1 0 0 1 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 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 4 7 4 8 9 9 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 7 34 11 4 2 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 98 98 d 1H J 59 | 89 88 d 1H J 57 | 77 77 m 4H | 75 74 m 1H | 72 72 d 1H J 57 | 71 71 d 1H J 55 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H]1COCCN1c1nc(Cl)nc2c1nc(C1(F)COC1)n2C | ir: 4 3 10 4 5 4 3 4 4 2 2 3 3 4 2 4 4 4 3 5 2 2 1 4 4 3 1 4 2 5 1 2 9 10 3 2 3 3 3 4 3 2 6 7 7 4 3 8 8 5 15 7 7 10 13 56 9 4 4 12 5 3 5 9 6 9 4 11 4 8 6 8 3 6 3 5 15 3 4 3 2 1 3 4 2 3 10 6 9 5 3 5 6 7 37 4 8 12 16 5 4 2 3 3 4 8 19 25 31 36 38 10 19 31 18 26 6 14 22 44 12 11 7 10 27 20 6 6 8 4 18 3 2 2 4 14 3 3 3 1 1 2 2 1 1 2 2 1 3 2 2 1 1 2 3 2 2 4 3 4 11 12 13 13 35 14 3 1 2 3 4 33 2 4 1 0 2 3 1 1 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 2 1 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 9 8 7 6 5 21 28 27 12 8 12 44 15 10 36 100 28 10 29 53 24 8 5 3 2 2 3 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 49 48 m 2H | 46 45 m 2H | 40 38 m 8H | 37 36 dd 1H J 59 101 | 36 35 m 1H | 13 13 d 3H J 84 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C1(C)CCC(N)C1 | ir: 4 4 6 2 1 4 6 3 4 5 3 4 2 5 5 9 4 3 5 3 2 2 2 2 4 3 2 2 1 1 1 1 1 1 1 3 2 3 3 4 5 19 21 7 5 2 5 6 6 5 5 4 4 10 3 10 5 19 42 65 32 3 14 3 7 8 10 4 16 9 5 2 3 5 2 3 13 30 65 31 71 45 22 4 4 5 13 1 2 3 1 2 4 4 4 14 4 7 4 2 2 1 1 1 1 3 7 10 3 3 5 1 4 8 3 3 20 9 10 19 12 17 22 7 9 9 23 20 12 13 30 21 33 85 94 100 11 12 2 3 5 1 3 6 22 21 14 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 1 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 2 1 2 1 2 3 2 3 5 3 5 3 2 2 4 5 32 14 4 3 1 1 1 1 1 2 2 2 2 4 10 14 21 49 64 27 13 11 11 7 10 60 90 16 7 6 3 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 m 2H | 32 31 pt 1H J 36 46 | 27 26 d 2H J 46 | 21 20 m 1H | 20 19 ddd 1H J 58 75 134 | 19 18 m 2H | 17 17 ddd 1H J 59 77 135 | 16 15 m 1H | 13 12 t 3H J 61 | 12 11 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)N1CCc2ccc(Br)cc2CC1 | ir: 3 10 16 17 64 26 16 5 6 14 11 23 18 14 4 2 3 50 2 4 4 2 2 1 1 2 4 7 26 2 2 1 1 1 1 3 1 2 1 0 1 2 1 0 1 2 1 0 2 3 2 0 9 16 22 7 2 3 5 2 6 6 4 1 2 8 7 1 13 7 2 1 1 2 2 3 1 2 1 1 3 2 1 1 3 2 3 7 2 4 5 18 13 3 6 3 4 9 3 2 2 3 4 3 2 1 0 2 3 2 2 10 21 13 5 4 5 3 6 11 19 100 69 15 1 3 4 3 5 3 9 1 3 8 6 4 2 3 2 1 0 3 27 4 1 1 2 1 35 15 51 11 15 19 2 2 1 0 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 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 1 2 1 1 4 2 1 2 5 3 9 7 7 3 2 5 6 8 24 23 11 42 74 10 9 10 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1; 1HNMR: 73 72 dd 1H J 23 85 | 72 72 dt 1H J 8 20 | 70 70 dt 1H J 9 85 | 37 37 s 2H | 36 36 td 4H J 12 66 | 30 29 td 2H J 8 65 | 29 28 td 2H J 8 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1ccc(NCCc2ccccn2)cc1)c1ccccc1-c1ccc(OCCO)cc1 | ir: 1 1 0 2 3 1 1 2 3 2 5 1 9 2 2 3 2 1 3 1 2 3 2 1 2 2 3 2 1 1 3 3 5 1 3 3 2 2 8 8 3 13 100 3 3 3 2 1 2 4 2 0 3 5 17 12 20 2 4 3 1 0 1 1 3 2 1 2 4 2 4 5 1 1 1 0 1 1 1 1 1 1 1 1 1 8 13 7 4 2 2 2 2 2 1 1 1 1 0 1 1 3 1 2 2 7 2 1 0 1 1 1 2 2 1 0 0 0 0 1 1 1 1 1 1 2 1 3 1 0 0 1 1 1 2 7 11 3 2 2 5 2 2 1 2 3 10 0 3 1 2 12 11 14 1 2 7 4 1 4 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 3 13 29 22 1 2 1 1 1 6 13 5 2 1 1 0 0 0 1 0 0 1 2 2 2 6 14 45 7 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; 1HNMR: 87 87 s 1H | 84 84 dd 1H J 17 41 | 77 77 dd 1H J 17 77 | 77 75 m 6H | 75 74 m 2H | 72 71 ddd 1H J 15 42 75 | 71 71 dq 1H J 10 74 | 70 69 m 2H | 67 67 m 2H | 55 54 t 1H J 56 | 41 40 t 2H J 47 | 38 37 dt 2H J 47 62 | 35 34 q 2H J 53 | 33 32 t 1H J 62 | 29 29 td 2H J 9 52 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)C(=O)NC1c1ccccc1 | ir: 3 1 0 1 3 1 0 2 4 4 8 2 3 1 0 2 3 1 1 3 3 2 1 2 2 3 3 2 3 1 4 8 6 2 2 10 11 7 9 7 18 100 36 8 3 2 2 4 2 0 2 3 2 0 2 3 3 1 2 3 1 1 5 6 4 1 2 7 4 4 3 3 1 1 2 3 1 3 3 3 1 1 29 15 2 1 2 3 1 1 9 13 2 5 14 5 4 2 3 5 1 1 2 2 0 1 3 2 1 2 3 2 1 4 5 7 4 5 6 5 27 8 5 4 1 2 3 2 1 3 3 1 2 7 7 14 4 3 2 1 1 3 8 4 6 8 6 5 2 3 3 6 22 47 6 1 2 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 2 2 1 2 2 2 2 4 6 14 9 8 22 13 7 8 3 2 1 2 3 2 2 3 2 1 1 2 2 1 1 2 2 2 4 14 54 13 2 4 3 1 4 7 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 73 73 d 4H J 52 | 73 72 m 1H | 62 62 d 1H J 75 | 46 46 m 1H | 12 12 d 3H J 16 | 12 12 d 3H J 15 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1O | ir: 9 9 9 6 11 5 4 5 6 2 15 17 1 8 8 3 2 7 1 3 4 3 3 4 3 4 3 3 4 1 3 2 5 2 4 5 2 100 45 18 4 5 3 4 4 1 1 3 3 0 2 2 2 5 16 4 4 5 12 2 2 1 2 3 3 1 5 11 6 6 3 2 1 1 1 1 1 1 4 11 5 1 6 20 23 76 3 4 2 1 2 3 2 4 6 9 8 3 2 2 2 1 1 1 2 3 9 4 1 10 10 6 9 5 2 3 3 2 3 2 3 5 3 2 3 3 3 4 14 5 11 2 2 4 2 2 1 1 1 1 1 1 2 3 17 12 16 97 13 6 14 13 47 19 30 8 3 1 2 5 2 1 1 2 6 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 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 1 0 1 1 2 2 1 1 2 1 1 2 1 2 2 2 2 2 2 1 1 1 3 8 5 10 25 7 4 2 2 2 2 4 80 26 41 3 1 1 1 0 1 1 13 21 4 1 0 1 1 0 1 1 1 1 2 25 6 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 82 s 1H | 79 78 m 3H | 76 76 m 2H | 74 73 d 1H J 16 | 58 57 s 2H | 40 39 m 1H | 37 36 dddd 1H J 18 31 49 118 | 36 35 m 1H | 30 30 dd 1H J 53 110 | 29 28 m 4H | 28 27 dd 1H J 53 110 | 20 19 m 2H | 19 17 m 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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