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CC1(C)OC(=O)c2cc(Br)ccc2O1 | ir: 9 8 7 8 16 55 11 8 7 8 10 20 7 8 9 7 7 8 10 8 7 9 11 7 7 8 8 7 7 8 9 9 7 8 8 9 9 8 10 7 8 8 8 7 8 9 8 7 8 9 8 6 9 25 100 11 9 8 8 8 8 8 8 8 9 8 8 7 9 8 8 7 8 8 8 7 8 8 8 10 8 9 13 9 8 8 8 8 8 9 9 8 8 11 8 16 9 9 9 9 10 12 13 25 11 8 7 8 8 9 21 8 9 8 7 8 8 11 19 11 12 8 8 8 9 10 12 37 30 12 8 9 8 8 8 8 21 7 7 8 8 7 7 9 9 6 70 7 7 10 9 0 23 17 16 9 8 7 8 8 11 9 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 8 8 8 7 7 8 8 8 8 8 8 8 8 8 11 8 8 8 8 8 8 8 8 8 8 8 9 18 21 11 19 32 22 10 9 9 8 9 8 7 8 8 8 8 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8; 1HNMR: 80 80 d 1H J 25 | 77 76 dd 1H J 25 85 | 71 71 d 1H J 85 | 16 16 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2c(c1)C(=O)C(=Cc1nccs1)CO2 | ir: 1 3 3 2 3 2 2 2 3 2 2 5 3 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 3 2 2 5 13 11 11 5 2 3 4 4 9 9 2 2 4 12 7 3 5 53 5 4 16 4 0 2 2 3 11 8 4 2 4 19 11 2 9 14 8 2 7 12 6 1 1 1 1 1 1 2 2 10 40 25 3 2 1 1 1 1 1 3 10 4 1 3 2 3 19 20 6 3 2 4 2 2 2 4 4 3 2 2 2 3 10 5 12 8 10 3 3 15 13 7 4 31 27 7 2 3 2 1 1 1 2 5 18 1 2 2 8 5 1 1 2 4 27 5 4 4 3 1 1 1 1 1 1 1 1 15 3 7 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 2 2 5 2 2 4 4 3 6 5 8 19 17 79 100 45 50 7 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 t 1H J 9 | 78 78 d 1H J 44 | 74 74 m 2H | 71 70 d 1H J 91 | 70 69 dd 1H J 27 91 | 52 52 d 2H J 7 | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(N)cc1N1CCc2nc(Nc3cncnc3)ncc2C1 | ir: 53 15 35 18 19 13 6 7 6 5 6 4 5 5 3 4 3 4 5 5 6 4 4 6 9 9 22 21 19 6 5 11 5 15 9 29 58 63 34 9 8 6 10 15 10 7 6 8 4 8 8 5 6 23 6 3 2 3 7 3 3 3 4 2 3 4 3 12 6 9 6 15 5 2 3 2 3 5 7 62 6 9 4 3 4 6 6 6 5 5 8 9 4 6 4 4 17 8 5 3 4 4 7 12 10 4 5 3 5 5 5 53 7 4 29 15 7 3 4 5 5 3 3 2 2 4 4 6 4 4 4 3 5 3 3 3 2 3 3 2 2 42 6 5 5 5 8 2 55 18 10 6 26 14 29 43 81 100 5 10 4 0 4 32 10 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 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 3 3 3 3 3 3 3 4 3 3 3 4 6 5 7 15 11 6 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 12 15 4 3 4 8 17 11 32 14 10 6 21 57 18 5 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; 1HNMR: 90 90 s 1H | 89 89 d 2H J 17 | 89 88 t 1H J 17 | 83 83 d 1H J 9 | 70 69 dp 1H J 9 76 | 63 63 m 2H | 46 46 d 2H J 7 | 43 43 s 2H | 36 36 m 2H | 28 28 m 2H | 23 22 d 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1 | ir: 4 5 3 3 13 9 5 6 3 6 15 13 12 6 12 4 6 3 4 3 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 2 1 2 2 3 2 2 2 1 2 3 6 4 3 3 4 6 4 3 3 3 8 15 35 14 18 19 34 17 3 3 13 10 15 9 5 5 4 3 17 16 9 3 2 1 1 2 3 2 1 12 16 6 3 2 6 5 6 4 2 6 4 6 5 2 3 2 2 1 2 2 4 3 5 9 5 8 13 10 20 5 7 10 11 4 6 8 14 7 24 26 25 61 16 8 7 13 11 2 4 3 1 2 2 4 5 9 3 3 1 15 18 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 2 4 3 3 2 2 2 2 3 4 10 10 11 2 2 1 1 1 1 2 1 1 1 1 2 2 4 2 19 33 8 4 14 12 11 24 59 100 17 1 0 2 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 38 37 ddd 2H J 34 61 132 | 37 37 s 3H | 34 34 ddd 2H J 35 61 132 | 23 23 s 2H | 23 22 ddd 2H J 34 61 143 | 20 19 ddd 2H J 34 61 143 | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc(C(F)(F)CN=[N+]=[N-])n1 | ir: 4 3 1 2 6 3 3 3 4 3 1 3 3 1 1 4 4 1 1 2 2 1 1 3 3 3 3 8 5 4 2 3 5 4 2 2 2 0 1 3 2 1 2 6 7 10 100 21 8 2 2 3 2 0 2 2 2 0 1 3 2 1 5 3 20 2 12 9 8 3 6 7 2 2 3 3 2 1 5 6 5 6 4 3 1 1 2 3 1 2 4 5 3 2 2 3 1 1 3 3 1 2 6 3 2 2 4 5 2 2 4 3 2 3 4 3 1 3 3 3 2 2 3 1 0 2 4 1 0 3 5 4 1 2 3 1 1 9 19 17 5 6 3 0 3 2 2 0 1 2 2 0 3 13 7 22 28 17 4 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 2 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 2 2 1 3 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 4 3 3 4 7 3 5 11 44 18 3 5 3 2 1 2 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 75 dq 1H J 12 92 | 73 73 dd 1H J 71 91 | 71 71 dp 1H J 8 72 | 42 41 t 2H J 130 | 26 26 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Oc1ccc2c(c1)CCC(c1ccccc1)C2 | ir: 0 1 5 1 6 2 2 4 2 3 2 1 4 2 7 1 2 4 2 1 0 1 1 1 1 1 1 1 0 1 4 9 1 3 1 1 1 1 1 5 2 41 9 1 1 4 2 0 1 2 3 7 2 1 5 6 2 2 1 0 1 1 1 0 1 2 1 6 7 10 3 0 1 3 1 0 2 4 4 86 15 10 6 2 1 1 9 3 85 1 2 8 1 12 1 1 1 2 4 1 1 1 1 2 5 2 1 4 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 1 3 1 1 1 1 3 1 1 1 1 6 4 2 1 1 1 1 3 26 4 5 5 4 1 1 3 8 0 14 4 1 1 1 1 0 1 1 1 2 1 0 0 1 1 0 0 1 1 1 0 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 3 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 7 3 4 8 46 9 8 2 1 1 2 6 100 13 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 5 2 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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: 73 72 m 3H | 72 71 m 2H | 70 69 dt 1H J 10 88 | 67 66 dd 1H J 22 86 | 65 65 dt 1H J 9 20 | 53 53 s 1H | 31 31 m 2H | 30 28 m 3H | 21 20 m 1H | 19 18 ddt 1H J 60 84 141 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)N1CCCCN1C(=O)Cl | ir: 3 24 70 11 5 14 24 6 2 17 11 72 6 13 15 20 8 12 11 6 3 20 27 19 9 10 17 8 25 78 15 5 4 14 16 25 7 11 10 6 6 13 15 2 5 9 6 1 17 11 10 2 8 11 5 0 4 10 6 2 8 10 4 2 6 9 4 3 9 9 7 3 7 8 20 13 10 8 3 1 7 25 18 3 7 8 2 1 7 7 1 2 8 11 1 3 10 7 1 6 10 6 1 6 12 11 10 100 25 40 44 68 46 33 42 20 19 20 10 16 11 8 14 10 28 40 49 24 9 30 83 23 12 26 92 24 11 4 1 6 9 3 1 9 7 8 13 9 10 7 7 42 9 3 3 7 5 1 3 7 5 1 3 8 5 0 4 8 4 0 4 8 4 0 4 8 4 0 5 8 3 1 5 7 3 1 5 7 3 1 5 7 2 2 6 6 2 2 6 6 2 2 6 6 2 2 7 6 2 3 7 6 1 3 7 5 1 3 7 5 1 4 8 5 1 4 8 4 0 4 8 4 0 4 8 4 1 5 7 3 1 5 7 3 2 6 6 3 2 5 7 2 2 6 7 3 2 6 6 2 3 6 6 2 3 7 5 3 5 11 7 4 8 15 14 15 17 18 11 6 11 14 7 17 77 13 6 6 6 10 4 3 5 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 6 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 1 4 7 4 1 4 7; 1HNMR: 42 42 q 2H J 66 | 38 38 m 2H | 36 36 dd 2H J 37 48 | 19 18 m 4H | 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. |
COc1ccc(-c2ccccc2)c(C(C)(C)c2cc(OC)ccc2-c2ccccc2)c1 | ir: 0 0 0 1 1 0 0 1 1 0 1 0 1 1 3 3 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 3 13 4 2 1 1 0 0 1 2 22 9 1 1 1 0 0 1 0 1 1 2 3 22 7 1 1 1 1 1 1 1 2 2 5 4 5 9 9 9 2 2 1 1 1 3 2 3 2 1 1 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 2 2 1 0 0 0 0 0 0 0 3 2 1 0 0 0 0 1 1 1 2 1 1 1 1 2 1 1 1 3 2 2 1 2 2 8 3 1 1 1 5 31 5 1 0 2 4 2 2 7 4 4 2 1 2 3 2 1 0 1 6 0 1 1 2 8 3 2 1 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 0 1 1 0 0 0 1 0 1 1 1 1 4 4 8 16 14 100 47 25 3 2 3 2 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 2H J 81 | 75 73 m 11H | 69 69 dd 2H J 22 81 | 69 68 d 2H J 22 | 38 38 s 5H | 16 16 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C1CC(=O)Nc2cc(C(F)(F)F)ccc2C1=O | ir: 12 14 7 6 2 14 11 6 18 23 11 3 3 3 6 13 31 23 5 6 6 3 6 6 3 4 3 3 4 4 10 8 10 7 6 3 33 7 18 29 4 10 15 7 7 15 34 11 4 4 6 5 3 2 3 9 15 3 4 4 3 5 14 4 2 2 2 5 14 5 5 10 6 3 3 3 2 2 3 4 2 2 2 2 2 2 3 2 4 5 3 5 4 3 3 9 29 35 42 29 11 6 7 35 10 11 3 3 3 3 3 8 16 100 14 4 0 9 19 9 14 5 11 6 16 15 8 7 8 5 3 5 26 16 7 5 3 6 26 6 5 11 7 67 97 1 4 5 11 17 6 15 36 17 8 11 79 27 5 3 2 2 2 22 13 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 3 3 2 2 3 4 3 5 3 3 8 9 7 10 13 35 7 18 30 16 5 5 3 2 2 3 2 3 2 2 3 3 2 2 2 2 3 3 4 8 7 17 58 57 28 14 7 4 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; 1HNMR: 79 79 d 1H J 109 | 78 77 dq 1H J 9 20 | 77 76 ddq 1H J 13 25 108 | 44 44 t 1H J 84 | 37 37 s 3H | 30 30 dd 1H J 85 166 | 28 27 dd 1H J 84 167 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O | ir: 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 2 1 2 3 1 2 5 8 11 21 13 6 3 6 2 3 1 2 2 2 2 0 1 1 1 0 0 1 3 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 1 1 1 1 4 3 9 18 7 4 3 3 2 2 2 3 5 3 4 2 2 1 0 1 4 1 0 1 2 1 2 5 3 1 1 1 2 2 1 6 5 3 1 1 1 0 0 1 1 0 0 2 1 0 2 22 62 4 2 45 5 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 2 0 1 1 1 1 2 3 6 1 1 2 2 0 20 100 13 4 1 1 1 1 2 1 1 0 1 1 1 0 1 1 0 1 3 11 20 3 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 55 54 d 1H J 79 | 44 43 dt 1H J 37 74 | 43 42 tt 1H J 71 106 | 38 37 dddq 1H J 29 56 72 84 | 22 21 dtdd 1H J 53 80 143 167 | 20 18 m 2H | 18 17 ddtd 1H J 28 54 109 123 | 17 16 m 2H | 14 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNCC=CC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1 | ir: 3 1 1 3 1 1 1 2 1 5 5 2 2 3 3 3 2 13 27 4 1 4 3 6 7 1 2 4 26 15 14 7 3 3 7 4 8 5 27 2 7 13 5 7 17 14 21 34 9 6 3 2 3 6 4 4 13 50 24 4 3 3 2 1 1 2 15 2 3 2 3 1 1 3 3 3 3 5 4 12 9 10 6 3 8 7 2 1 1 1 0 1 2 2 2 1 8 5 3 3 2 1 1 9 22 39 5 6 3 9 12 18 41 8 3 3 3 2 2 3 3 2 1 1 3 3 4 1 2 3 1 3 6 5 2 2 2 5 11 4 17 2 4 14 5 4 21 9 28 9 20 40 30 42 44 22 9 5 19 5 1 38 18 3 4 1 2 3 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 3 2 4 5 7 13 22 41 26 7 3 4 2 3 2 0 1 2 1 1 1 1 2 2 7 13 11 6 5 21 16 66 22 100 14 5 3 1 1 0 0 1 1 1 1 1 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 1 0 0 0 0; 1HNMR: 100 99 s 1H | 95 95 s 1H | 88 88 d 1H J 24 | 85 85 s 1H | 80 80 t 1H J 21 | 79 79 d 1H J 83 | 77 76 dd 1H J 22 82 | 76 76 ddd 1H J 12 22 75 | 73 73 ddd 1H J 12 21 71 | 72 71 t 1H J 75 | 67 66 dt 1H J 37 150 | 61 60 dt 1H J 14 150 | 35 34 ddd 2H J 13 36 49 | 24 23 m 2H | 24 24 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)C(F)(F)F)c1 | ir: 3 4 1 1 1 1 1 2 5 4 3 1 1 1 2 2 3 2 1 1 3 1 1 1 1 2 5 1 1 1 0 8 4 1 1 0 1 1 0 0 0 0 1 0 0 1 1 5 7 2 1 2 4 2 13 5 1 1 0 1 1 1 1 0 1 3 5 6 6 3 3 2 4 6 3 3 1 1 1 1 2 1 3 3 12 25 14 7 3 3 14 6 2 1 1 2 2 8 6 2 0 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 2 1 1 1 0 1 1 1 1 0 1 1 3 1 0 1 1 0 0 1 0 0 0 0 1 2 2 5 0 0 0 0 0 2 0 3 1 1 1 1 1 1 0 0 1 2 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 1 0 1 1 1 2 3 2 7 21 10 6 5 0 1 2 7 100 19 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H | 80 79 d 1H J 27 | 75 74 m 2H | 74 74 dd 1H J 7 82 | 73 73 d 1H J 82 | 72 71 dd 1H J 75 81 | 71 70 ddd 1H J 12 22 73 | 66 66 ddd 1H J 13 22 81 | 65 65 t 1H J 21 | 45 44 dd 1H J 49 142 | 44 43 h 1H J 49 | 41 40 dd 1H J 46 125 | 40 39 m 2H | 39 38 m 1H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc2c(C(=O)O)cn(CCn3ccnc3)c12 | ir: 7 19 4 2 11 3 3 2 4 4 11 4 4 2 1 2 2 4 3 6 3 3 4 3 4 3 3 2 4 10 17 7 3 3 18 10 4 4 3 7 6 8 4 6 4 1 2 4 4 3 41 21 2 2 2 1 1 1 2 2 3 3 14 3 3 3 5 3 3 3 3 2 2 1 1 2 1 2 2 4 1 8 14 29 26 13 5 6 3 2 4 5 1 5 5 5 10 4 8 13 9 3 11 28 10 3 3 4 4 8 7 6 7 3 7 3 2 4 2 6 3 3 5 7 5 3 3 4 3 15 14 13 0 13 70 4 4 1 1 2 3 14 1 4 3 1 1 1 2 1 3 2 4 29 2 2 1 8 2 1 1 1 1 2 1 3 7 2 2 0 1 2 1 1 2 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 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 3 2 2 3 4 5 7 7 4 3 5 7 10 14 2 10 78 100 50 18 8 4 5 3 25 37 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 m 1H | 80 79 m 1H | 78 78 tt 1H J 9 18 | 74 73 t 1H J 70 | 72 71 ddt 1H J 9 18 37 | 71 71 dp 1H J 8 69 | 71 70 dd 1H J 16 38 | 44 43 td 2H J 8 38 | 43 42 tt 2H J 9 38 | 24 24 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)N1CCC(NC(=O)c2cc(F)cnc2Oc2ccc3c(c2)OCCS3)CC1 | ir: 2 2 2 4 4 3 6 4 3 2 2 1 1 3 2 1 1 2 3 1 4 2 3 7 4 3 2 2 6 6 2 2 1 2 2 2 3 2 2 3 2 2 3 7 4 10 14 50 11 4 3 3 3 5 13 5 4 4 2 1 2 3 2 2 2 3 6 5 5 9 3 2 2 2 2 1 2 2 1 1 2 3 7 2 2 3 2 2 3 2 2 2 2 4 4 2 2 2 2 2 2 2 2 3 3 5 5 2 3 10 1 2 3 2 3 4 6 4 3 5 3 4 5 6 8 4 9 3 3 2 0 5 100 5 4 2 10 7 3 1 4 3 2 2 3 5 13 2 11 5 3 20 4 14 4 51 2 2 2 2 3 40 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 3 2 2 2 2 2 3 4 20 6 8 78 21 10 2 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 3 2 3 2 4 6 18 9 4 4 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dd 1H J 18 121 | 81 80 dd 1H J 17 140 | 73 72 d 1H J 81 | 72 72 dd 1H J 22 81 | 70 69 d 1H J 79 | 65 64 d 1H J 22 | 43 42 dd 2H J 35 42 | 39 38 dp 1H J 45 79 | 37 36 ddd 2H J 58 85 128 | 35 34 ddd 2H J 58 85 128 | 32 32 m 2H | 22 21 m 2H | 21 21 s 3H | 19 18 dddd 2H J 45 58 86 131 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(N)[C@@]1(c2ccccc2)C[C@@H]2C[C@H]1CC2Oc1cc2cc[nH]c(=O)c2cc1Cl | ir: 1 3 3 2 3 4 4 3 3 4 3 2 1 2 9 12 2 2 4 2 15 6 4 2 1 2 4 3 11 33 24 2 26 43 3 4 2 2 4 4 21 34 13 14 4 6 11 21 34 13 7 2 4 3 4 3 14 2 2 7 17 15 19 3 13 7 7 16 42 11 10 20 33 17 5 2 7 10 14 11 32 6 3 2 4 3 2 3 5 3 8 3 3 4 3 9 3 4 6 12 4 4 6 3 4 4 1 7 13 4 7 6 5 3 0 4 7 6 6 7 13 3 5 10 32 12 11 6 10 9 14 31 25 60 24 27 6 13 17 20 7 2 2 3 3 11 14 4 4 3 13 12 9 8 40 6 2 0 2 34 17 8 4 2 9 2 1 3 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 3 3 3 7 5 5 1 5 4 7 4 6 22 16 87 32 20 10 5 10 2 3 4 3 4 5 8 4 9 23 15 4 25 6 13 3 7 100 50 21 17 3 8 3 2 1 1 3 2 0 1 2 2 0 1 2 2 0 1 2 2 1 1 2 1 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 97 96 d 1H J 62 | 81 80 s 1H | 73 72 m 6H | 71 70 s 1H | 67 66 d 1H J 69 | 47 46 m 1H | 35 34 ttq 1H J 16 45 61 | 22 21 m 4H | 20 19 m 2H | 19 18 m 3H | 17 16 m 2H | 15 14 dqd 1H J 47 66 134 | 9 9 td 3H J 16 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC1(CCC)NC(=O)c2sc(-c3ccncc3)cc2N1 | ir: 3 3 12 8 6 5 4 3 3 2 1 2 3 3 4 5 3 5 3 5 4 3 4 3 3 4 3 2 3 2 2 3 4 2 2 2 2 2 2 0 2 10 100 48 7 2 1 5 3 2 2 4 2 0 2 3 2 0 2 3 1 0 2 3 2 4 2 2 2 2 9 45 18 2 4 4 1 1 2 3 1 1 3 3 1 1 13 2 2 3 3 2 1 1 2 2 1 1 3 3 5 2 3 2 3 4 4 3 3 4 6 18 9 7 8 3 0 3 4 3 2 5 5 4 1 3 3 2 1 3 5 3 1 2 2 1 2 2 3 3 2 3 2 1 5 8 9 11 13 7 3 2 2 2 3 5 23 9 75 1 2 4 3 2 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 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 2 3 2 1 3 5 3 1 2 2 2 2 2 5 6 3 3 8 5 7 6 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 3 2 4 9 22 47 30 4 5 7 1 1 3 3 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 2 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 87 86 m 2H | 76 75 m 2H | 71 71 s 1H | 68 67 s 1H | 55 55 s 1H | 20 19 dt 2H J 59 143 | 18 17 dt 2H J 59 143 | 15 12 m 4H | 10 9 t 6H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H]1Cn2ncc(N3CC(C(C)(C)O)CC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1 | ir: 3 4 5 2 1 3 4 5 2 3 3 3 1 3 5 9 2 11 12 4 8 4 6 7 4 7 5 4 7 10 3 5 3 2 2 1 2 3 3 9 9 16 35 5 5 8 5 2 2 12 4 2 2 6 3 6 8 10 12 3 5 8 3 4 6 14 13 23 12 11 3 5 2 3 3 1 3 8 42 23 7 6 1 2 3 3 2 2 2 3 1 3 3 3 5 3 5 13 13 9 34 8 4 5 7 7 3 3 2 12 9 6 18 7 2 7 4 3 4 3 4 5 3 3 5 12 3 6 9 8 6 5 18 2 3 4 5 2 1 3 5 2 2 2 3 3 11 43 65 18 7 6 12 18 74 8 14 6 1 3 3 0 46 5 2 0 1 3 2 0 1 3 1 1 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 5 2 3 3 5 4 4 4 3 4 9 3 6 20 19 22 27 16 7 3 4 4 5 5 100 12 5 1 2 2 3 4 5 3 4 3 4 5 11 12 49 17 14 6 1 3 2 3 2 2 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 s 1H | 73 72 s 1H | 71 70 m 2H | 52 51 d 1H J 165 | 51 50 d 1H J 165 | 45 44 dd 1H J 49 116 | 43 41 m 3H | 40 39 dd 1H J 51 126 | 28 27 s 1H | 27 26 dd 1H J 62 148 | 24 23 m 2H | 14 13 d 3H J 77 | 13 12 d 3H J 14 | 12 12 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)[C@@H](Cc1ccccc1OC)Oc1ncnc2sc(C(C)(F)F)c(I)c12 | ir: 5 14 3 3 7 7 7 14 31 19 10 10 4 5 3 15 5 3 11 11 5 8 5 2 2 2 3 2 2 2 2 1 1 2 3 1 2 3 4 2 31 17 42 30 16 4 2 3 2 3 3 17 3 7 4 3 4 2 13 8 7 2 5 7 5 4 5 21 9 6 5 7 9 7 7 8 10 11 5 3 2 2 3 6 7 3 3 3 3 2 60 10 3 7 2 1 6 5 2 6 23 6 16 65 15 5 29 3 3 4 4 15 13 38 10 11 17 29 30 11 6 6 7 7 7 14 60 25 18 7 6 6 3 3 1 3 4 27 6 4 3 0 9 20 13 6 4 5 3 50 3 2 7 2 1 3 2 2 1 4 2 1 2 1 1 1 1 3 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 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 2 3 8 9 19 6 5 6 8 12 18 10 9 19 12 29 77 41 22 38 100 30 16 7 4 5 2 2 2 2 2 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 73 71 m 2H | 70 69 td 1H J 10 78 | 69 68 dd 1H J 11 75 | 50 49 t 1H J 78 | 43 41 m 2H | 38 38 s 3H | 35 34 ddd 1H J 8 78 156 | 33 32 ddd 1H J 8 77 157 | 25 24 s 1H | 24 24 s 1H | 24 24 s 1H | 11 10 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
FC(F)(F)c1ccc(NCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1 | ir: 4 4 4 6 2 4 3 7 6 5 9 5 8 6 9 7 3 9 8 3 4 3 3 1 1 3 2 5 1 2 3 2 2 3 2 5 27 3 3 3 5 4 3 2 2 2 1 1 1 2 2 2 3 10 15 0 3 3 2 0 2 3 2 2 7 10 28 20 20 20 9 7 6 9 2 2 2 1 2 1 1 2 1 1 1 1 1 3 3 2 3 2 2 2 2 3 7 7 8 13 12 2 1 1 2 2 2 5 3 3 4 6 24 7 4 7 3 4 4 3 4 5 7 7 8 26 6 3 4 3 2 2 1 2 1 14 3 5 26 16 13 10 9 2 5 2 1 2 2 3 3 27 8 11 21 13 3 1 2 4 14 100 4 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 2 3 3 4 7 9 19 55 20 8 5 2 2 4 3 1 1 2 1 1 1 1 1 2 2 4 3 2 4 6 14 52 19 27 7 3 2 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 dq 1H J 13 26 | 80 80 m 1H | 70 69 s 2H | 68 68 d 1H J 69 | 62 61 t 1H J 22 | 56 56 t 1H J 47 | 48 47 d 2H J 22 | 42 42 t 2H J 58 | 35 34 td 2H J 47 67 | 22 21 tt 2H J 57 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=[N+]([O-])c1ccc2ccncc2c1C(F)(F)F | ir: 4 2 1 5 5 5 4 7 4 2 1 2 4 7 1 3 3 2 3 5 14 25 6 4 5 8 1 3 3 1 1 3 3 1 2 3 4 10 2 3 2 1 2 3 2 1 2 6 20 0 2 3 3 3 12 20 6 1 4 18 16 3 2 4 2 0 3 3 2 1 2 3 5 8 5 4 2 1 9 5 2 1 3 3 1 6 3 3 1 10 6 11 1 2 4 4 2 27 42 44 5 2 4 30 100 10 5 2 0 2 4 2 1 7 7 27 73 6 4 3 1 3 7 47 2 2 3 2 1 3 6 2 1 2 3 2 1 2 3 1 1 2 3 2 4 3 2 2 41 15 5 3 2 3 3 9 15 13 9 1 1 3 2 1 2 3 3 68 3 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 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 2 1 2 3 1 1 2 3 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 5 4 3 6 48 38 9 4 5 3 1 2 3 2 2 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 98 98 d 1H J 18 | 87 87 dd 1H J 14 46 | 83 82 d 1H J 84 | 81 81 dd 1H J 12 82 | 78 78 dd 1H J 11 45 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=S1(=O)CC(=Cc2ccccc2)C2=NNC(c3ccccc3)C2C1 | ir: 6 9 24 6 6 9 11 8 5 3 2 7 3 2 5 6 4 8 5 4 2 2 2 2 3 2 2 3 4 4 4 18 6 4 3 2 1 3 6 5 11 19 4 3 2 2 3 3 3 4 2 2 7 10 4 2 2 2 2 2 1 2 3 6 2 1 3 23 9 20 4 3 2 2 2 2 5 4 5 5 2 2 2 3 6 19 6 2 14 16 8 6 6 3 5 2 10 6 3 13 7 25 21 19 26 13 30 4 3 2 1 2 2 2 6 4 4 3 1 10 19 3 12 6 3 3 1 7 4 7 9 3 3 4 3 17 3 3 3 3 4 9 39 19 8 5 33 3 2 4 5 9 4 2 2 3 2 2 1 2 1 2 2 6 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 2 2 2 1 2 1 2 2 2 2 3 12 8 5 3 10 4 5 5 5 24 23 17 49 15 5 3 3 3 2 2 2 3 2 2 2 1 1 2 2 1 1 3 4 1 1 7 4 100 47 0 1 3 3 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 72 m 11H | 68 67 t 1H J 9 | 64 63 d 1H J 51 | 49 48 dd 1H J 51 80 | 40 39 m 2H | 39 38 dt 1H J 71 80 | 35 35 dd 1H J 71 143 | 33 32 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCN1C(C)=C(C#N)C(c2ccc(F)c(C#N)c2)C(C#N)=C1C | ir: 5 4 6 4 1 5 7 5 3 7 7 5 4 9 15 4 2 10 5 2 1 4 7 3 3 4 24 8 10 11 10 2 2 5 6 1 4 8 9 0 43 11 6 3 3 7 7 11 6 11 8 2 5 15 10 30 10 7 4 2 5 12 5 2 4 7 4 1 12 13 20 6 5 8 7 6 5 6 4 2 4 4 3 3 7 20 12 3 6 4 2 2 5 5 1 4 8 14 9 9 21 8 3 5 5 4 0 3 6 3 2 4 7 7 7 6 11 6 4 9 17 9 8 7 7 6 6 7 8 5 3 6 8 3 1 4 7 2 2 8 6 36 17 6 5 3 3 5 8 12 4 7 5 19 8 7 4 1 3 5 3 2 3 5 4 1 3 5 3 0 3 6 3 1 3 5 3 1 3 5 3 2 100 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 2 7 7 3 4 5 4 2 3 7 4 5 5 8 7 32 34 15 9 47 29 22 7 2 5 6 3 2 4 5 2 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 5; 1HNMR: 78 78 ddd 1H J 7 22 30 | 76 75 dtd 1H J 13 29 82 | 74 73 dd 1H J 83 102 | 46 46 dp 1H J 10 19 | 40 40 q 2H J 77 | 23 22 dd 6H J 9 27 | 13 12 t 3H J 78 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCNC(=O)c1cccc(F)c1Nc1nc(Nc2cccc3c2OCCCC3(C)C)ncc1Cl | ir: 4 5 6 2 2 2 2 2 1 2 1 3 5 3 3 2 1 2 2 4 11 11 19 20 12 4 5 12 6 6 5 12 13 6 9 9 3 30 57 33 77 69 71 16 34 26 10 15 13 33 33 3 4 2 2 2 1 2 3 0 3 2 1 1 3 7 2 0 3 2 1 1 2 1 1 2 4 3 5 0 2 3 1 1 2 2 5 2 8 2 3 2 4 4 5 8 3 3 1 4 7 13 12 3 3 1 0 2 3 1 2 2 27 10 10 6 10 4 4 4 6 11 11 5 11 7 7 5 2 1 1 2 4 8 7 10 14 6 18 5 5 7 3 12 36 22 73 34 26 7 5 33 52 58 89 9 38 8 8 100 39 36 3 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 2 2 2 1 2 1 8 10 7 4 35 26 6 5 1 1 3 1 1 2 2 0 2 3 3 3 0 3 3 2 3 17 22 40 41 57 57 62 23 8 15 10 7 2 1 2 3 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1; 1HNMR: 91 90 d 1H J 48 | 89 88 s 1H | 85 85 s 1H | 77 76 dd 1H J 17 79 | 75 74 dd 1H J 20 66 | 73 72 m 2H | 71 70 m 3H | 41 40 m 2H | 34 34 qd 2H J 42 63 | 19 18 m 4H | 14 13 s 5H | 13 12 t 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccccc1C(C)O | ir: 33 21 28 21 14 7 14 24 14 11 10 26 16 8 12 15 9 4 1 7 7 3 1 5 7 4 2 5 4 2 2 4 4 1 2 5 6 3 7 9 6 10 20 14 8 1 3 5 4 0 3 5 3 0 3 5 3 1 4 5 3 0 3 5 3 1 9 7 5 5 11 10 7 7 10 8 7 6 6 6 2 4 11 11 13 13 6 49 37 11 63 36 16 4 6 11 8 5 4 4 5 11 6 4 0 2 5 3 1 3 5 5 4 6 9 8 3 6 6 4 3 4 5 4 6 15 12 11 9 5 6 2 2 4 4 2 11 20 6 2 3 9 13 8 3 3 4 2 12 14 6 1 2 4 3 2 2 4 4 3 8 5 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 1 3 3 2 2 3 3 1 2 4 3 1 2 3 4 3 4 5 3 2 3 4 3 3 4 8 4 5 5 15 9 8 32 68 39 3 6 6 7 21 82 100 10 1 5 6 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 73 ddd 1H J 7 14 80 | 73 72 m 1H | 71 71 ddd 1H J 12 74 82 | 69 69 dd 1H J 12 83 | 51 50 m 1H | 41 40 q 2H J 62 | 32 31 d 1H J 51 | 15 15 d 3H J 64 | 15 14 t 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)=CCn1cc(CN2CCOCC2)c2cc(-c3cccc(C)c3)ccc21 | ir: 2 7 2 2 4 2 3 3 1 2 3 2 10 4 2 2 1 2 2 1 1 2 5 5 7 10 8 4 1 3 6 3 2 3 2 3 1 2 1 1 2 5 3 3 3 5 28 14 2 6 6 4 8 28 25 9 13 15 3 10 4 8 5 5 8 16 25 22 6 10 7 8 23 18 14 6 2 9 20 33 31 10 4 1 4 6 46 8 4 4 6 11 5 4 4 4 7 7 9 20 17 7 14 5 5 7 8 3 2 2 0 1 4 2 6 4 4 7 19 10 7 11 3 3 9 10 6 5 8 6 5 5 13 12 5 5 3 2 2 6 44 16 3 4 3 7 10 2 1 2 2 15 7 11 10 33 5 5 6 8 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 3 2 1 3 5 4 7 5 3 3 4 5 10 16 54 13 47 100 42 18 47 12 9 4 2 2 3 2 2 2 1 2 2 1 1 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 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 1 1; 1HNMR: 79 79 d 1H J 23 | 75 75 d 1H J 69 | 75 74 dd 1H J 23 69 | 74 74 ddd 1H J 15 22 75 | 74 73 m 2H | 72 72 m 1H | 72 71 m 1H | 52 52 dtq 1H J 16 30 47 | 47 47 dh 2H J 10 40 | 38 38 d 2H J 7 | 37 37 m 4H | 26 26 m 4H | 20 19 s 3H | 18 17 hept 3H J 12 | 17 17 dh 3H J 12 23 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](OC/C=C\C(C)(C)O)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C | ir: 5 11 21 5 11 5 5 5 6 4 2 9 8 2 3 9 7 4 4 4 3 4 3 3 2 2 10 5 9 6 5 2 2 2 3 3 8 11 14 3 3 5 1 2 2 4 2 1 2 3 2 0 3 4 4 5 3 8 12 28 14 14 10 11 14 8 26 5 15 1 18 6 18 18 12 11 39 100 21 11 15 12 14 12 22 23 30 44 81 52 39 14 17 3 26 5 5 10 25 10 18 35 13 8 4 8 6 12 10 18 4 7 7 3 5 9 19 11 20 8 2 8 16 9 6 10 11 16 7 17 10 25 8 6 6 3 3 5 10 50 10 4 3 2 2 2 1 1 1 1 1 0 0 2 8 11 1 2 6 3 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 1 2 4 5 4 4 8 4 7 8 8 6 5 17 14 18 33 72 91 13 7 4 3 4 2 6 17 88 19 4 2 1 2 3 2 1 1 2 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 63 62 dp 1H J 9 77 | 58 57 m 2H | 57 56 dt 1H J 37 110 | 55 55 tdd 1H J 10 21 59 | 48 48 d 1H J 55 | 44 43 m 2H | 44 42 m 1H | 42 42 ddd 1H J 15 37 152 | 41 40 ddd 1H J 16 38 154 | 40 39 dtd 1H J 37 63 88 | 27 26 ddt 1H J 10 42 152 | 25 24 m 2H | 23 22 m 1H | 23 22 dtd 1H J 11 59 141 | 21 20 m 2H | 20 20 s 1H | 19 18 m 2H | 19 18 ddd 1H J 61 84 144 | 17 16 m 1H | 16 15 m 1H | 15 14 t 6H J 9 | 12 12 d 3H J 51 | 11 10 d 6H J 46 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1ccccc1)C(F)(F)c1ccc(C(F)(F)F)cc1 | ir: 3 2 1 1 3 1 1 2 3 1 0 2 2 1 0 2 8 2 1 2 3 1 1 2 2 1 1 4 3 1 1 4 4 12 20 32 3 2 2 2 2 0 1 3 4 1 1 3 2 2 10 3 1 1 1 7 6 0 1 2 1 0 1 3 1 0 4 2 1 3 4 2 1 1 2 2 1 1 5 4 2 1 2 3 2 5 9 5 3 2 2 2 1 1 2 2 2 2 8 18 3 8 3 2 1 1 2 2 2 5 12 8 46 7 4 3 2 2 2 2 1 2 3 2 4 3 5 100 2 2 5 2 1 2 14 2 1 2 2 1 1 4 24 8 9 8 4 3 6 20 4 0 1 5 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 0 2 3 2 2 2 12 7 8 28 98 24 6 3 3 7 2 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 79 79 m 2H | 77 77 dq 2H J 14 90 | 76 75 tt 1H J 15 75 | 76 75 dt 2H J 17 91 | 72 72 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12 | ir: 2 1 2 1 2 3 2 4 5 2 3 3 2 2 2 3 5 3 8 4 3 2 10 12 17 53 60 8 2 10 14 5 3 5 6 4 3 5 2 47 10 13 7 6 2 3 4 0 1 4 2 1 2 4 2 11 16 4 2 1 1 2 4 1 4 13 3 1 7 4 3 2 2 2 4 5 9 3 5 1 4 9 1 1 2 2 1 3 11 2 1 1 2 5 32 5 5 3 4 2 1 2 2 4 11 3 4 4 1 1 1 1 1 1 1 1 2 2 2 2 5 3 3 2 2 3 3 3 1 2 2 2 1 2 1 34 8 9 3 3 3 12 41 33 14 12 5 3 3 31 6 17 3 4 3 3 27 1 19 6 2 0 1 13 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 2 4 1 2 2 3 2 6 7 6 17 100 48 15 5 3 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 4 7 28 13 14 8 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 1 1 1 1 1; 1HNMR: 83 83 d 1H J 49 | 79 78 m 2H | 74 74 m 2H | 74 73 m 5H | 71 71 m 2H | 51 50 d 2H J 10 | 26 26 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(C)Oc1ccnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl | ir: 8 7 5 5 6 7 8 11 27 21 30 9 6 7 5 4 6 4 5 5 4 4 4 8 9 7 7 5 4 4 5 4 5 8 6 4 4 4 4 7 19 10 7 4 4 4 4 4 6 6 5 4 7 27 9 6 4 5 5 4 4 5 5 4 7 9 38 25 7 10 8 8 10 7 7 20 13 27 11 6 4 3 5 6 5 9 13 7 6 6 5 6 18 12 7 8 17 97 32 10 9 4 6 4 4 4 5 4 3 8 15 7 4 7 30 93 14 8 5 5 8 9 13 8 10 19 29 9 10 6 7 6 4 4 7 6 4 5 5 4 3 6 11 0 100 6 6 7 9 4 5 5 5 4 4 7 15 8 4 5 5 4 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 4 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 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 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 5 7 5 4 4 4 4 6 5 5 7 9 8 6 13 19 10 13 35 22 13 45 11 7 6 4 5 6 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; 1HNMR: 79 79 q 2H J 9 | 77 77 d 1H J 35 | 61 60 d 1H J 37 | 51 50 q 1H J 61 | 43 42 m 2H | 15 15 d 3H J 61 | 11 10 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#CCOc1ccc2nc(N)sc2c1 | ir: 8 3 9 12 9 19 20 29 18 31 27 29 25 14 14 11 11 14 9 8 8 5 5 5 6 6 3 5 4 2 5 4 5 1 6 1 3 3 5 1 4 0 5 5 3 3 4 1 2 3 3 3 4 11 33 28 9 4 4 8 4 5 2 2 2 6 7 3 8 3 4 1 2 1 2 4 5 11 5 1 2 6 3 0 1 2 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 4 2 2 1 1 10 8 5 2 1 1 1 2 6 3 1 2 2 1 1 3 3 16 16 1 1 1 2 1 0 2 3 22 18 5 3 2 5 11 16 15 85 100 24 15 11 7 1 1 3 1 2 2 1 1 1 2 1 0 1 1 1 0 1 1 2 1 0 1 1 0 0 1 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 3 1 1 1 2 1 1 3 3 2 3 7 5 21 17 9 1 2 1 2 0 1 3 3 1 0 1 2 4 10 14 79 66 18 6 2 4 3 1 1 3 3 4 34 71 38 8 4 3 1 1 1 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 78 | 72 72 d 1H J 20 | 70 70 dd 1H J 22 77 | 53 53 s 2H | 47 47 d 2H J 24 | 25 25 t 1H J 26 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)COC1(C)C | ir: 2 2 3 8 4 4 2 3 3 6 8 4 3 7 4 7 5 9 9 7 8 8 6 4 4 4 3 1 2 2 2 2 1 2 3 2 1 3 7 3 18 31 42 25 12 11 3 3 2 1 4 6 7 10 8 20 18 5 12 5 2 2 4 1 1 1 3 2 5 8 2 1 0 2 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 2 2 5 4 2 3 4 10 1 4 7 5 4 11 32 13 2 4 3 2 2 3 2 2 1 2 3 3 10 3 10 3 2 3 6 5 7 5 8 17 10 21 3 2 2 2 2 2 2 1 2 1 1 1 1 1 4 3 5 13 37 100 69 38 54 12 3 4 1 0 1 4 5 20 6 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 3 1 1 2 2 2 2 2 1 2 2 3 3 2 26 10 36 28 21 9 4 4 4 1 2 2 2 2 1 3 2 2 2 1 1 1 1 2 8 20 24 29 48 39 5 3 2 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 84 83 s 1H | 78 78 d 1H J 22 | 75 74 m 2H | 74 73 d 1H J 80 | 73 72 dd 1H J 22 81 | 71 70 dt 2H J 9 79 | 39 38 m 2H | 37 36 m 1H | 28 27 m 1H | 27 26 m 1H | 21 20 dq 1H J 68 134 | 19 18 dq 1H J 69 133 | 16 16 s 3H | 15 14 d 11H J 123 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)[C@@H](CCn1nnc2ccccc2c1=O)[C@H](O)CCc1ccc(-c2ccc(O)nc2)cc1 | ir: 7 8 25 6 8 23 5 13 9 7 4 10 2 4 8 10 6 15 15 14 18 33 30 23 6 6 2 3 3 2 2 4 3 3 6 26 18 7 5 0 2 3 7 62 2 2 5 11 8 4 1 2 13 11 14 6 4 4 4 2 2 4 2 3 2 2 10 2 2 4 3 6 4 27 23 5 10 9 16 10 6 11 2 2 3 3 3 5 2 2 40 14 15 6 6 3 6 2 3 5 1 1 1 1 2 1 2 1 2 1 8 3 7 8 10 5 1 3 3 3 4 5 2 3 5 5 8 2 6 3 2 6 2 2 7 5 15 10 4 4 5 4 7 23 19 4 13 1 11 2 1 2 4 1 5 2 1 3 14 7 1 1 4 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 5 2 2 1 1 2 2 2 2 5 3 13 24 49 5 6 3 5 13 25 13 32 100 24 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 dd 1H J 13 80 | 82 82 d 1H J 19 | 81 81 dd 1H J 12 75 | 79 78 td 1H J 13 73 | 78 77 dd 1H J 19 85 | 76 75 m 1H | 76 75 s 1H | 75 75 s 1H | 72 71 dt 2H J 9 81 | 65 65 d 1H J 85 | 52 51 d 1H J 53 | 43 42 dt 1H J 86 113 | 42 41 dt 1H J 86 114 | 40 39 m 1H | 28 27 dtt 1H J 9 90 135 | 27 26 m 2H | 22 21 dtd 1H J 64 87 128 | 20 19 m 2H | 18 17 dtd 1H J 63 90 143 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc2c(cc1Br)C(C)(C)CCS2 | ir: 8 5 8 2 4 2 0 13 14 2 1 2 3 2 1 3 3 1 1 2 2 2 6 6 3 1 1 2 2 1 1 2 2 1 4 6 3 1 1 2 2 0 1 2 2 2 6 12 7 1 3 4 3 1 3 5 3 3 3 3 2 5 6 13 10 11 9 44 45 27 27 16 13 8 3 5 3 1 2 3 2 1 3 2 2 2 3 4 4 6 9 10 9 5 5 5 25 14 9 5 1 1 4 3 5 14 12 18 11 3 3 3 1 6 7 5 6 5 14 22 16 12 11 9 3 8 8 2 6 12 11 12 5 7 4 2 2 3 7 9 13 2 3 1 1 3 3 1 1 3 3 2 28 48 15 5 3 4 2 1 1 3 2 0 1 2 1 0 1 2 2 0 1 3 2 1 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 5 11 12 6 5 7 23 12 7 3 4 4 10 11 90 87 60 50 100 73 14 10 6 3 1 3 5 2 1 2 2 1 2 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 73 s 1H | 70 70 s 1H | 30 30 m 2H | 24 24 s 3H | 20 20 m 2H | 14 13 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)O[C@H]2[C@H](CCC[C@@H]2N)O1 | ir: 0 0 0 0 0 0 0 0 1 0 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 7 0 0 1 1 0 1 0 0 0 1 3 1 1 3 1 0 0 3 0 7 0 1 3 0 0 2 0 0 2 2 15 1 1 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 7 1 1 3 2 1 0 0 0 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 1 1 1 1 3 2 1 1 3 2 12 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 15 4 1 1 2 0 1 2 100 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 dddd 1H J 20 27 37 45 | 40 39 dd 1H J 27 44 | 32 31 m 1H | 31 30 d 2H J 66 | 18 17 m 3H | 17 15 m 3H | 14 14 s 2H | 13 13 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)C1CSCN1C(=O)c1ccc(NCCCCCCCCCCCCCCCCBr)cc1 | ir: 3 6 3 4 4 5 9 7 13 6 10 4 2 4 4 12 9 4 2 9 26 100 16 4 3 3 2 2 3 3 1 2 3 5 16 4 4 21 13 9 4 1 2 3 3 1 1 1 1 1 2 2 1 4 6 7 6 15 5 2 1 1 2 2 1 1 1 1 1 4 1 1 2 1 1 2 2 3 15 39 3 3 2 3 1 3 5 5 2 2 1 1 5 4 8 1 1 1 4 1 2 16 29 4 3 32 9 6 13 4 3 4 6 2 5 2 3 2 3 9 4 5 6 5 5 1 11 13 2 3 12 5 3 4 4 2 3 1 10 6 5 5 8 54 4 16 3 2 2 2 5 9 11 21 2 2 1 1 1 0 1 1 1 11 5 1 0 0 0 1 0 0 0 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 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 5 2 2 1 2 1 2 4 3 6 17 4 13 27 8 5 3 2 1 2 1 1 7 56 6 2 1 1 2 1 1 1 3 3 3 8 9 42 41 14 7 4 1 1 2 1 0 1 1 2 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 78 77 m 2H | 68 68 m 2H | 48 47 d 1H J 126 | 47 47 t 1H J 41 | 47 46 d 1H J 128 | 45 44 t 1H J 47 | 35 34 dd 1H J 42 125 | 34 34 t 2H J 47 | 32 32 m 1H | 32 32 s 1H | 32 31 m 1H | 18 17 tt 2H J 48 76 | 16 15 tt 2H J 53 73 | 15 14 m 2H | 14 13 m 7H | 13 12 m 16H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc(=O)[nH]c(C)c1Cl | ir: 1 3 4 3 2 3 18 12 0 3 5 2 1 3 5 2 1 4 4 2 1 4 5 6 6 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 5 5 20 42 88 9 1 3 5 3 1 3 8 5 3 4 5 3 1 3 5 3 2 6 14 9 3 4 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 3 5 19 21 5 3 5 3 1 3 5 4 7 11 4 3 2 3 4 3 2 3 5 3 3 4 5 3 2 4 5 3 3 7 6 4 2 4 7 8 6 4 5 4 4 4 4 1 2 5 13 32 7 3 3 2 3 4 3 2 68 100 9 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 6 4 2 3 5 3 2 3 4 3 2 3 5 4 6 6 5 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 4 3 4 4 3 2 4 6 3 23 19 8 6 5 3 3 2 2 3 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 90 89 s 1H | 24 24 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. |
NCCNC(=O)c1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 | ir: 5 1 1 1 2 2 2 2 3 3 2 3 2 2 2 2 2 2 1 1 2 1 5 2 1 3 1 2 3 27 24 9 4 4 7 21 6 3 2 9 32 58 35 15 12 6 10 3 8 3 4 3 1 1 2 1 7 8 2 2 3 5 17 2 2 1 1 2 4 4 12 2 2 10 13 6 3 1 4 2 4 5 4 2 2 1 1 3 4 1 1 2 3 3 5 2 2 1 2 2 13 53 21 9 0 3 5 1 6 2 4 2 3 3 0 1 2 2 5 3 10 4 12 5 7 5 7 7 13 23 4 5 9 25 18 7 9 3 2 2 4 5 46 30 33 20 27 10 4 3 2 6 21 4 5 100 7 3 4 17 8 24 1 1 3 2 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 4 5 7 48 10 8 3 2 1 1 1 0 1 1 4 6 5 5 12 9 2 2 4 4 5 26 14 45 42 59 24 9 6 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 85 84 m 2H | 84 84 s 1H | 82 82 s 1H | 81 80 s 1H | 79 78 m 4H | 78 77 m 2H | 74 74 tt 1H J 13 71 | 70 70 t 1H J 50 | 35 34 dt 2H J 41 50 | 31 30 tt 2H J 40 63 | 18 18 t 2H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNC(=O)Nc1ccc(OCCCBr)cc1 | ir: 1 2 1 0 0 0 0 1 0 0 0 5 3 1 1 1 1 8 11 2 7 5 3 4 4 6 2 1 1 1 3 2 3 4 2 6 0 8 6 2 20 5 19 5 3 1 1 2 2 3 4 8 9 9 9 7 7 6 1 1 0 0 1 0 1 1 3 3 13 9 3 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 1 3 4 1 3 1 1 1 1 1 1 1 1 3 7 5 2 16 32 6 1 1 1 0 0 0 1 3 1 2 2 4 5 2 3 2 3 3 8 3 2 3 1 1 1 1 0 0 0 1 1 1 1 8 2 1 1 1 2 1 29 5 6 3 100 59 24 9 22 6 3 1 1 0 0 1 1 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 1 2 1 1 1 1 2 3 15 9 12 21 17 4 2 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 10 8 21 29 37 8 4 2 2 1 1 1 1 2 3 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 s 1H | 74 74 m 2H | 67 67 m 2H | 61 60 q 1H J 47 | 41 41 t 2H J 54 | 36 36 t 2H J 50 | 27 27 d 3H J 46 | 25 24 p 2H J 52 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1c(Nc2ccccc2N)c(Cl)cn1C | ir: 12 36 49 32 0 46 29 21 29 19 19 17 18 32 28 16 25 13 14 14 12 15 18 14 18 16 23 16 15 10 10 12 11 12 22 13 14 12 63 42 27 22 53 40 72 18 16 12 14 11 14 11 11 11 10 10 10 11 10 10 10 16 13 18 15 10 19 10 11 10 13 12 12 14 19 27 29 11 10 11 9 9 13 12 23 12 10 18 9 10 10 10 9 9 10 10 11 9 10 13 9 13 12 44 16 17 75 16 9 9 11 10 8 11 14 12 9 15 24 13 10 10 11 10 19 16 16 11 10 12 25 18 27 23 14 11 11 20 15 11 10 10 10 10 10 13 12 10 12 30 33 13 60 50 42 94 15 13 14 60 100 11 31 27 9 8 9 9 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 9 10 9 11 10 10 9 9 10 10 9 10 10 11 10 12 20 18 21 16 60 38 19 14 15 12 11 9 10 9 9 10 10 9 9 10 12 10 59 23 20 27 37 14 40 59 31 17 15 17 65 43 12 9 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 8 9 9 9 9 9 9 9 8 9 9 9 8; 1HNMR: 76 76 s 1H | 75 75 s 1H | 71 71 dd 1H J 15 77 | 71 70 m 1H | 69 69 td 1H J 14 75 | 69 68 dd 1H J 14 79 | 43 43 q 2H J 64 | 39 39 s 3H | 39 39 s 2H | 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. |
CCCCOCCC(C)CCC=C(C)C | ir: 5 4 2 4 3 2 2 7 3 7 4 6 4 2 7 5 8 5 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 2 2 3 13 7 5 2 5 5 7 4 2 2 2 2 4 3 6 2 4 3 0 4 2 9 4 16 15 9 26 32 35 17 7 13 22 15 12 14 20 15 15 7 7 2 3 1 1 1 1 1 1 1 1 1 1 1 1 3 1 9 7 7 3 6 3 8 6 13 14 8 9 5 9 6 19 33 8 17 16 10 9 18 28 28 22 14 14 7 6 6 4 3 6 10 10 4 6 5 4 11 4 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 2 2 5 1 1 0 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 2 1 2 1 3 2 7 7 5 14 13 7 5 5 8 10 12 21 20 26 100 61 53 9 6 8 3 2 1 2 1 2 1 0 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 51 50 m 1H | 35 34 m 1H | 35 34 t 2H J 65 | 34 33 m 1H | 21 19 m 2H | 17 16 hept 3H J 12 | 16 15 m 7H | 15 14 m 1H | 14 13 m 3H | 13 12 dtdd 1H J 9 68 77 126 | 9 8 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1 | ir: 24 22 15 17 26 21 10 35 25 23 17 21 22 13 3 12 19 6 6 13 15 7 4 15 15 10 12 19 28 10 18 14 25 22 23 33 17 6 8 15 12 4 9 30 15 12 13 18 12 3 8 16 10 4 13 28 13 2 8 20 11 1 12 22 14 12 17 28 13 3 14 13 10 8 17 20 9 4 11 13 14 8 15 12 4 9 33 14 6 8 17 16 8 11 24 29 33 15 18 24 20 43 69 37 30 64 45 41 29 58 64 24 25 25 31 9 11 24 22 33 24 37 29 25 24 20 19 17 17 29 15 20 15 36 31 14 12 18 15 4 5 14 18 10 52 60 100 22 8 15 11 4 5 12 9 2 6 12 9 2 6 12 8 1 6 13 8 1 6 13 7 0 7 13 7 1 7 13 6 1 8 12 6 2 8 12 5 3 9 11 5 3 9 11 4 3 10 10 4 4 10 10 4 4 10 9 3 5 11 9 3 5 11 8 2 6 12 8 2 6 12 8 1 6 13 7 1 7 13 7 1 7 12 7 2 8 12 6 2 8 11 6 3 9 11 5 3 9 11 5 4 9 10 4 4 10 10 4 4 10 9 4 5 10 10 5 6 12 10 5 7 14 12 11 16 27 17 8 11 17 16 7 15 32 65 35 18 15 9 3 8 12 7 2 8 12 6 3 8 11 6 3 9 10 5 4 9 10 5 4 9 10 4 4 9 9 4 5 10 9 4 5 10 8 3 5 10 8 3 6 11 8 3 6 11 7 3 6 11 7 2 7 12 7 2 7 11 6 3 7 11 6 3 8 10 6 3 8 10 5 4 8 10 5 4 9 9 5 4 9 9 5 5 9 9 4 5 9 8 4 5 10 8 4 6 10 8 3 6 10 7 3 6 11 7 3 7 11 7 3; 1HNMR: 42 41 q 2H J 63 | 36 35 ddd 2H J 55 82 123 | 35 34 ddd 2H J 55 82 123 | 26 25 p 1H J 62 | 22 20 m 6H | 20 19 m 2H | 19 18 m 4H | 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. |
C=CCCC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC | ir: 6 14 9 6 10 12 1 4 4 8 7 13 9 8 4 5 5 2 2 3 2 3 2 2 2 7 8 2 12 18 12 41 36 9 8 29 9 9 4 4 3 1 1 3 3 1 2 6 8 2 5 5 2 0 1 6 3 3 3 3 3 3 5 15 9 9 9 9 4 4 2 10 6 4 5 3 3 1 2 3 1 1 1 2 0 1 3 1 1 2 3 2 1 3 2 4 4 2 5 7 1 1 2 2 1 2 3 3 6 8 18 14 2 5 10 10 13 19 22 22 8 21 13 5 9 5 6 5 2 4 9 8 5 3 5 3 5 10 10 18 18 47 11 100 15 37 7 6 7 42 12 3 1 1 1 1 1 3 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 3 5 4 3 6 5 6 3 3 6 13 7 4 18 30 8 6 7 3 3 5 4 3 4 4 3 2 2 2 2 1 1 1 1 1 1 3 1 2 4 2 8 78 17 4 3 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 58 57 m 1H | 55 55 d 1H J 82 | 51 51 ddt 1H J 12 23 163 | 49 49 m 1H | 43 43 dt 1H J 64 82 | 37 37 s 3H | 26 24 m 5H | 23 23 m 2H | 21 20 dtd 1H J 63 88 141 | 20 19 dtd 1H J 64 88 141 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(C#N)cn1)C2 | ir: 5 5 3 8 8 6 7 10 7 8 7 13 14 6 5 4 5 4 3 4 4 4 4 4 4 3 4 8 4 3 5 5 4 4 4 5 7 30 16 6 5 4 5 5 4 3 3 4 4 3 4 5 9 9 7 7 5 3 5 5 4 4 4 5 6 5 5 6 7 4 23 5 3 3 4 5 4 4 5 4 4 5 5 5 6 3 5 5 4 4 6 6 4 5 5 5 18 10 5 5 4 5 6 8 3 5 5 5 3 4 5 4 7 7 15 6 4 6 5 7 7 8 13 15 6 6 7 9 4 6 8 9 6 12 6 6 7 7 5 4 100 19 6 4 4 5 5 4 4 7 22 24 5 4 4 4 4 7 4 41 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 2 41 0 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 5 5 5 6 6 4 4 4 4 4 5 6 9 10 11 13 6 5 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3; 1HNMR: 87 87 d 1H J 19 | 78 77 dd 1H J 19 74 | 68 68 d 1H J 75 | 38 37 ddd 2H J 35 62 124 | 35 35 t 2H J 47 | 35 34 d 2H J 8 | 34 33 ddd 2H J 35 62 124 | 19 18 ddd 2H J 36 62 128 | 17 16 dd 2H J 42 49 | 16 16 ddd 2H J 36 63 128 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)OC[C@H](CONC(=O)c2oc3ncncc3c2Nc2ccc(I)cc2F)O1 | ir: 1 2 1 2 5 6 5 3 3 3 1 3 4 6 37 11 3 3 6 41 12 21 7 16 14 20 16 20 19 7 5 3 5 2 2 2 7 11 21 6 9 2 7 3 18 64 15 8 27 3 1 3 2 3 11 13 6 15 12 6 3 1 2 3 2 0 3 19 4 2 1 2 6 2 2 4 1 2 1 3 2 8 2 4 1 1 3 1 1 1 2 5 3 3 2 2 13 9 8 4 3 9 14 7 3 2 3 1 1 1 3 6 24 77 4 23 2 2 2 1 1 7 6 2 1 6 6 8 12 55 25 22 18 1 0 1 1 0 1 1 0 8 54 9 2 0 2 11 2 0 2 9 5 2 12 4 2 13 22 23 4 4 9 7 2 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 1 4 3 4 7 7 2 24 10 1 1 1 2 1 1 1 1 1 2 1 1 1 2 4 5 8 3 7 7 7 5 27 100 7 2 1 1 3 2 1 1 1 2 1 1 1 1 0 1 0 1 1 0 1 1 0 0 0 1 0 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 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 40 | 93 93 d 1H J 16 | 89 88 d 1H J 18 | 75 74 m 2H | 71 70 m 1H | 41 39 m 3H | 38 37 m 2H | 14 14 s 3H | 14 13 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1cc(Br)cc(OCC2CC2)c1 | ir: 9 4 0 6 11 4 3 5 10 6 2 5 9 4 2 6 7 3 2 6 10 10 10 6 6 3 2 7 5 3 2 6 6 7 11 94 58 19 11 11 19 12 12 10 5 1 4 7 5 1 5 7 5 1 4 8 5 0 5 9 4 1 5 9 10 10 100 35 40 21 21 17 8 6 7 9 3 1 5 7 4 3 7 7 8 5 17 13 4 5 17 10 2 3 8 8 5 4 8 5 2 3 6 4 0 3 6 4 0 3 7 4 0 4 7 4 0 5 9 5 3 5 8 8 16 7 9 8 7 5 6 3 1 5 6 2 1 5 6 2 2 6 6 4 6 12 20 10 6 6 18 6 4 8 7 4 39 11 13 45 5 7 5 1 3 7 4 1 3 7 4 0 4 7 4 1 4 8 3 1 5 8 26 3 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 4 2 3 6 4 2 4 7 4 1 6 11 12 15 13 10 14 9 37 86 37 7 29 23 12 7 7 6 4 3 4 6 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1; 1HNMR: 77 76 t 1H J 22 | 72 72 d 2H J 24 | 39 39 d 2H J 44 | 14 13 pt 1H J 45 62 | 7 6 m 2H | 5 4 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)Cc1ccc(N2Cc3c(Cl)ccc(OCc4ccccc4)c3C2=O)cc1 | ir: 1 2 3 1 1 4 5 5 5 14 3 18 18 9 6 6 5 4 15 9 43 91 21 28 18 6 6 2 3 4 8 14 5 4 3 3 2 3 5 6 45 2 4 13 9 5 3 4 4 4 4 6 4 6 14 17 22 14 1 0 1 3 6 4 1 0 1 2 7 8 2 2 4 2 3 10 11 9 29 21 7 4 3 2 3 7 4 9 18 11 4 1 5 5 2 2 5 6 13 3 2 5 11 5 4 4 1 1 1 1 2 1 0 2 1 1 2 2 2 10 11 3 4 3 3 3 6 4 6 2 1 2 2 0 2 14 2 1 1 2 2 8 43 43 27 12 3 4 8 36 5 5 12 28 8 2 1 1 1 3 5 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 2 2 8 11 24 15 77 38 12 5 3 3 4 5 12 47 100 42 15 4 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 6H | 73 73 m 1H | 73 72 dp 2H J 9 82 | 71 71 m 2H | 69 69 d 1H J 90 | 51 51 t 2H J 8 | 51 50 s 2H | 34 34 t 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1c(C)cc(OCC)nc1C | ir: 4 3 3 5 6 13 3 4 8 9 7 9 11 2 1 4 7 3 3 6 17 9 11 10 5 4 2 3 4 5 5 2 2 1 1 8 18 9 26 15 4 3 2 2 1 1 1 2 1 1 2 2 2 1 2 2 2 1 1 2 3 4 3 5 17 19 21 6 8 7 17 17 10 7 7 9 3 1 5 33 15 4 3 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 11 12 11 2 2 2 1 2 5 33 20 17 4 4 4 19 15 12 8 21 21 7 3 3 2 2 2 3 3 3 6 6 4 3 4 31 27 8 2 3 3 1 2 36 49 5 3 4 5 6 46 75 11 8 7 3 2 2 1 0 100 31 1 3 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 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 3 2 6 7 3 1 2 4 2 3 4 4 3 3 14 63 46 11 17 41 26 1 2 3 3 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 65 65 s 1H | 44 43 dq 4H J 66 127 | 27 27 s 3H | 26 26 s 3H | 14 14 dt 7H J 65 93 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)c1ccc(-c2cc(CC(=O)O)ccc2OCc2ccc(C(F)(F)F)cc2)cc1 | ir: 1 1 1 1 3 1 1 1 3 7 7 7 6 5 2 4 2 3 6 11 13 14 23 22 11 4 1 1 1 3 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 4 3 2 2 2 2 1 2 4 7 60 13 8 6 1 1 2 2 1 1 1 12 2 3 13 4 2 1 1 3 6 6 11 24 13 3 4 2 2 1 2 8 3 2 3 3 6 4 3 2 2 2 3 9 10 5 3 4 2 1 1 2 1 0 1 2 7 16 4 0 1 2 1 2 3 6 2 3 3 3 8 13 7 3 6 3 1 2 1 1 1 1 1 1 1 5 4 7 7 7 3 2 4 18 15 17 5 4 2 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 4 6 7 13 48 100 20 5 1 6 3 1 2 7 21 13 6 2 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dq 2H J 13 72 | 75 74 m 3H | 74 74 dt 2H J 10 70 | 73 72 m 2H | 72 71 m 1H | 69 69 d 1H J 87 | 52 51 t 2H J 9 | 36 35 t 2H J 9 | 30 29 m 1H | 13 12 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C1=Cc2c(cc(Cl)c(OCC)c2Cl)OC1C(F)(F)F | ir: 11 3 2 2 4 7 6 1 1 6 8 2 3 2 3 1 2 2 1 1 1 2 17 13 5 3 3 6 1 1 1 1 3 2 1 1 1 1 1 1 4 5 6 4 8 3 5 1 1 2 1 0 1 2 2 1 1 2 1 1 2 4 5 5 9 2 21 35 9 4 6 4 8 19 8 13 2 2 2 1 1 1 1 0 1 1 2 6 1 1 0 1 1 1 1 1 1 1 3 6 1 3 11 6 4 2 2 2 4 8 2 9 13 21 26 5 9 16 10 9 6 5 3 7 5 3 1 3 7 3 1 9 2 1 1 7 1 1 1 1 1 2 7 34 4 1 29 100 4 1 3 1 1 0 0 2 6 8 1 1 1 1 1 2 8 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 1 1 3 1 1 1 1 1 1 4 5 9 5 6 6 5 14 15 10 22 12 6 2 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 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: 79 79 d 1H J 18 | 69 69 s 1H | 57 56 qd 1H J 17 115 | 43 42 qd 4H J 37 67 | 15 14 t 3H J 62 | 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. |
CN1CCN(CC(O)c2ccc(Cl)cc2)C(c2ccccc2)C1 | ir: 4 6 4 2 2 1 3 2 2 1 1 2 3 2 2 27 8 5 2 1 1 7 3 1 1 1 2 3 3 2 4 6 13 6 4 2 2 1 2 3 6 41 4 0 1 4 6 6 5 2 2 1 18 7 16 25 3 0 2 3 5 2 6 15 4 2 2 10 15 19 3 3 2 1 4 8 2 2 9 4 33 4 13 33 10 39 25 15 100 21 43 5 4 19 3 3 4 7 7 4 6 6 2 2 2 2 1 1 2 3 4 5 2 2 1 3 5 4 5 7 3 2 3 3 2 5 5 2 3 3 2 1 2 2 11 9 4 2 2 2 1 2 2 13 17 8 41 9 7 1 1 11 14 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 2 3 2 1 4 4 6 16 62 55 15 24 7 8 2 4 8 58 14 4 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 72 m 7H | 72 72 m 2H | 50 49 qd 1H J 8 51 | 39 39 m 2H | 31 30 m 3H | 30 28 m 5H | 24 23 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)O[C@H]1[C@H](N=[N+]=[N-])C(Cl)O[C@@H]1COC(=O)c1ccccc1 | ir: 2 3 1 2 1 3 4 3 3 2 2 4 3 1 2 2 1 1 1 1 2 2 5 2 3 1 0 1 4 19 5 1 2 1 1 1 1 0 2 1 3 25 1 1 2 1 3 1 2 3 1 1 1 0 0 0 0 0 0 1 1 0 1 2 1 2 4 2 8 8 3 0 3 2 3 1 2 4 4 2 4 3 1 0 0 0 0 0 0 0 0 0 0 1 3 3 3 2 2 5 17 4 2 3 1 1 1 1 1 2 1 1 2 1 5 7 12 2 3 2 2 2 5 6 16 2 2 1 0 2 1 1 1 1 13 1 1 0 0 1 1 4 14 16 100 13 7 2 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 2 1 1 2 2 1 1 2 3 4 6 5 7 7 19 8 0 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 76 75 m 1H | 75 74 m 2H | 58 57 d 1H J 35 | 53 52 ddt 1H J 18 49 81 | 46 45 m 3H | 43 42 ddd 1H J 17 45 122 | 21 21 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C2CC2)cnc1N1CCNCC1 | ir: 0 1 2 1 0 1 2 4 5 4 3 1 0 1 2 1 1 2 2 1 0 3 4 1 1 1 2 1 3 2 2 1 1 3 2 6 5 16 12 28 3 5 3 2 3 8 5 0 2 4 5 2 30 38 51 5 18 3 5 10 7 14 6 2 6 4 4 6 10 3 2 2 3 3 1 0 1 1 1 1 1 1 3 6 4 6 7 7 8 4 4 4 4 1 1 1 6 4 2 3 3 2 3 2 2 5 11 16 5 41 47 8 7 5 9 10 30 9 3 2 3 2 3 5 7 3 8 5 16 9 21 4 3 3 2 3 2 10 23 12 4 1 2 4 4 3 8 5 7 2 3 3 4 13 13 3 2 1 3 3 1 0 2 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 1 3 2 1 3 3 4 7 7 8 9 9 9 6 4 3 3 1 1 1 1 1 1 1 2 2 4 5 6 4 59 100 52 19 2 2 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 1H | 73 73 dt 1H J 7 15 | 36 35 m 4H | 30 29 m 4H | 28 28 dq 1H J 61 68 | 22 22 s 2H | 19 19 p 1H J 33 | 14 13 m 2H | 11 10 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Oc1ccc(S(=O)(=O)ON=C(C#N)c2ccccc2)cc1 | ir: 1 10 23 23 17 19 7 9 3 14 15 26 5 17 25 6 9 15 22 19 8 7 5 3 2 4 5 1 5 29 14 13 10 8 6 6 7 8 6 8 17 20 15 7 8 7 5 3 8 10 8 4 3 12 12 47 25 14 5 2 3 4 4 5 23 40 25 16 10 9 5 4 5 6 3 3 5 7 9 5 5 14 14 11 34 20 7 8 11 9 7 8 5 6 53 22 8 4 2 6 9 4 1 2 4 3 0 3 5 3 0 3 9 6 6 11 10 5 2 11 15 7 13 16 40 18 7 5 8 4 2 3 6 4 7 6 6 3 3 10 24 21 6 19 38 20 15 39 22 10 10 7 12 14 3 5 4 1 2 4 7 25 4 5 3 0 2 4 2 0 2 4 2 0 3 4 2 0 2 4 2 1 4 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 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 3 4 4 2 2 4 3 2 3 4 5 4 4 7 6 7 15 24 100 43 30 26 10 7 6 6 7 3 4 6 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 m 2H | 78 78 m 2H | 75 75 m 3H | 73 73 m 2H | 23 23 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Clc1ncc2c(n1)N(NCc1ccc3c(c1)OCO3)CC=C2 | ir: 0 1 1 3 0 2 1 1 0 2 1 2 2 1 1 1 1 1 5 1 0 7 7 1 1 2 4 8 6 3 1 1 1 3 5 6 14 16 13 3 9 11 13 21 4 2 4 2 4 26 29 4 4 6 12 6 4 3 13 8 3 2 2 4 7 13 12 5 14 6 2 1 1 1 1 1 1 3 2 1 1 1 1 0 1 3 5 1 1 6 12 2 1 1 1 2 2 2 5 1 2 14 3 1 2 2 1 6 3 2 1 1 4 10 23 6 5 4 5 4 5 2 1 2 4 4 1 2 2 1 2 4 2 4 6 28 14 11 9 8 4 3 30 12 2 1 3 2 7 9 8 2 35 13 1 2 1 0 1 2 2 4 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 2 0 4 8 7 23 22 7 2 2 1 2 1 1 1 2 1 1 2 2 2 2 4 7 12 20 100 57 4 3 1 2 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 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: 84 84 s 1H | 72 72 dq 1H J 8 93 | 69 69 ddt 1H J 9 17 89 | 68 68 dt 1H J 8 17 | 68 67 d 1H J 89 | 60 60 dt 1H J 44 92 | 59 59 s 2H | 55 55 t 1H J 54 | 42 42 dt 2H J 9 55 | 42 42 dd 2H J 9 46 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2)C(C)(C)C | ir: 1 14 11 7 18 19 13 8 1 12 32 20 9 10 10 8 7 12 17 15 7 9 23 12 65 17 19 5 6 7 9 16 6 22 16 23 7 13 12 17 38 100 40 14 11 21 42 25 27 11 40 3 5 11 6 1 6 10 5 1 9 14 13 8 7 8 3 1 15 16 6 3 6 11 5 1 6 10 7 4 8 8 3 2 7 16 3 4 8 7 6 10 8 9 5 4 9 6 4 4 11 6 2 4 11 6 2 5 8 5 6 12 22 29 9 11 15 20 17 34 13 20 14 16 37 20 7 19 19 11 8 19 16 30 24 18 16 26 43 11 22 9 20 87 45 68 71 31 23 11 34 67 12 0 4 9 5 7 3 8 4 2 4 7 5 0 4 8 4 0 4 8 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 1 5 6 2 2 5 6 2 2 6 5 2 2 6 5 2 2 6 5 2 2 6 5 1 3 6 5 1 3 7 4 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 6 5 3 3 6 5 2 3 6 6 3 4 7 7 5 5 7 8 4 5 8 7 9 10 10 14 35 54 42 44 25 14 16 11 3 6 7 4 2 6 7 4 2 5 7 5 3 6 8 7 8 17 22 46 23 47 92 35 14 14 9 4 5 7 6 2 3 6 5 2 3 6 5 2 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 3 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6; 1HNMR: 80 79 d 1H J 99 | 77 77 m 2H | 76 75 m 2H | 75 75 m 1H | 58 57 q 1H J 44 | 46 46 s 2H | 45 44 ddq 1H J 15 29 99 | 44 43 m 2H | 37 37 m 2H | 28 28 d 3H J 44 | 15 14 s 8H | 10 9 d 10H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1cc(O)c2cnn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1 | ir: 6 6 6 7 5 8 6 6 10 10 6 10 7 5 6 11 7 6 6 6 6 7 7 6 5 6 5 6 6 6 13 16 6 6 6 7 10 6 7 18 33 10 7 5 6 6 5 5 5 5 5 5 5 5 7 11 6 7 7 5 6 8 5 5 7 11 12 30 27 0 6 9 5 3 5 6 4 3 9 7 4 3 15 100 39 13 4 7 14 9 7 6 6 6 8 6 7 8 4 5 13 7 4 6 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 6 6 5 9 7 6 6 7 8 6 5 5 5 5 10 17 10 5 5 5 4 5 11 24 9 9 5 5 5 5 9 14 10 7 6 6 5 25 6 6 7 8 5 7 5 4 4 5 5 5 4 5 4 4 4 5 4 4 4 5 4 4 8 4 4 4 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 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 5 5 4 5 6 5 5 5 5 5 5 5 7 6 6 6 7 6 4 5 6 6 5 9 15 24 80 46 9 8 6 6 7 8 22 54 8 6 6 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 5 5 5 5 5 4 5 5 4 5 6 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; 1HNMR: 95 95 s 1H | 86 85 s 1H | 81 81 d 1H J 22 | 76 75 dd 1H J 22 95 | 74 73 m 6H | 72 71 m 2H | 51 51 t 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)C(N)=N[C@](C)(c2ccccc2F)CS1(=O)=O | ir: 3 6 3 3 6 9 2 8 6 6 4 7 10 100 8 5 7 4 3 5 7 3 3 3 3 2 7 3 2 3 2 2 2 3 2 2 3 5 2 3 6 1 54 0 3 5 3 2 2 4 13 2 2 3 2 2 2 3 3 3 2 2 6 2 3 4 4 5 8 9 3 2 3 4 6 3 4 3 2 2 2 2 7 5 7 6 16 4 3 2 5 5 3 5 8 3 4 4 3 2 2 2 2 2 4 2 2 2 3 6 7 6 15 6 5 4 3 3 3 4 5 3 3 7 3 3 2 7 6 4 3 4 7 7 4 2 3 34 3 3 2 2 3 10 2 2 2 2 4 8 5 2 3 2 2 2 2 2 2 2 3 3 3 2 2 2 2 5 39 8 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 3 3 3 4 3 3 2 3 2 2 3 7 7 4 6 18 13 2 3 6 1 14 3 1 3 4 3 2 2 2 15 14 5 4 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 ddd 1H J 13 33 81 | 73 73 dddd 1H J 13 39 68 82 | 72 71 m 2H | 45 45 s 2H | 40 40 d 1H J 141 | 38 37 d 1H J 141 | 15 15 m 10H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(Br)Cc1ccc(C2CCCCC2)cc1 | ir: 40 21 6 7 9 6 12 7 17 10 10 7 9 4 5 22 22 64 16 59 8 5 7 12 8 5 5 12 6 7 6 6 6 2 3 5 7 4 8 7 3 3 3 8 4 4 3 7 7 5 7 10 10 57 24 52 21 12 36 11 3 8 6 18 18 13 4 7 5 25 17 7 15 4 3 4 3 2 3 3 2 2 3 2 3 3 6 13 11 9 10 11 12 11 24 60 20 21 24 8 5 9 6 14 8 6 11 7 11 12 28 19 21 32 72 53 9 36 53 21 6 20 34 21 17 14 17 8 12 11 11 23 13 6 11 15 5 2 4 5 8 13 13 69 91 11 15 6 53 68 19 15 10 23 8 2 3 5 2 1 1 3 2 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 3 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 3 6 4 5 7 14 18 22 9 17 22 33 17 25 63 30 55 79 90 100 39 13 9 7 2 5 6 3 2 4 4 2 1 2 3 1 1 2 3 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 72 71 m 2H | 71 70 dt 2H J 9 87 | 45 44 t 1H J 79 | 37 37 s 2H | 33 33 ddt 1H J 9 78 147 | 31 30 ddt 1H J 9 79 147 | 27 26 dq 1H J 59 68 | 19 18 ddt 2H J 57 82 132 | 17 16 m 2H | 16 15 m 2H | 15 15 m 1H | 15 14 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)N2C(CCCCn3cnc(C)c3)CCC2c2ccc(F)cc2)cc1 | ir: 5 2 6 2 0 4 8 13 15 12 27 15 1 5 19 15 25 7 9 4 5 3 0 1 3 16 8 4 1 1 2 1 8 9 5 7 6 1 2 1 2 2 2 1 5 9 5 6 5 2 2 2 6 13 19 20 3 1 3 12 3 4 2 2 10 11 72 12 10 5 21 4 4 3 10 7 2 3 8 13 5 31 7 7 14 17 99 8 10 39 100 14 12 15 18 3 10 16 12 13 9 11 7 10 9 7 3 4 5 3 2 5 6 11 9 5 6 10 8 15 15 6 6 9 10 11 18 9 1 2 5 9 2 1 1 1 3 2 1 0 1 1 1 0 1 2 3 15 32 9 2 1 5 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 2 4 3 1 2 4 5 9 3 3 3 5 8 6 7 28 18 57 48 18 32 11 9 5 2 5 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 75 74 dq 2H J 9 82 | 74 73 dt 1H J 9 19 | 73 72 m 2H | 71 71 m 2H | 68 67 dq 1H J 8 17 | 45 44 dd 1H J 55 63 | 40 39 tt 2H J 10 65 | 35 34 tt 1H J 59 66 | 24 24 d 3H J 9 | 22 21 m 1H | 22 22 s 3H | 21 19 m 2H | 19 18 dtd 1H J 67 77 119 | 18 16 m 3H | 16 15 dtd 1H J 68 78 119 | 15 14 dp 1H J 76 128 | 14 12 dp 1H J 77 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CS(=O)c1ccc(C2CCNCC2)cc1 | ir: 2 1 0 2 4 2 0 2 3 2 1 3 3 2 2 17 7 2 1 2 3 1 1 2 2 1 1 3 3 2 2 3 3 4 4 8 4 3 8 7 5 2 3 4 3 2 3 8 18 29 7 6 9 23 43 42 9 7 5 3 3 1 2 4 3 2 8 15 14 13 3 3 2 2 2 2 1 1 2 2 2 4 2 3 1 1 3 3 1 1 3 3 9 3 11 3 2 2 2 2 0 2 3 2 1 2 6 15 12 9 68 32 7 11 20 22 14 9 8 9 2 5 6 4 3 4 6 12 20 10 4 2 2 4 8 7 4 4 3 1 1 3 3 1 2 8 22 16 3 2 3 4 5 5 2 1 1 2 2 1 3 4 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 5 4 2 3 3 3 2 3 5 4 6 6 13 8 14 37 69 19 4 6 5 4 2 3 3 2 1 2 2 3 5 2 2 3 6 23 100 10 5 4 3 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 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 75 m 2H | 73 72 m 2H | 31 31 dddd 2H J 27 38 55 134 | 28 28 dddd 2H J 27 38 53 134 | 28 28 s 2H | 28 27 tt 1H J 56 61 | 24 23 p 1H J 38 | 22 21 dtd 2H J 27 57 139 | 17 16 dtd 2H J 27 57 139 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)CC(C(Nc2cnc3ccc(F)cc3c2)c2ccc(C(=O)OC(C)(C)C)cc2)C1 | ir: 2 2 5 15 14 3 6 6 20 47 10 6 9 23 13 5 15 2 1 3 3 1 0 4 4 3 2 2 2 1 2 4 3 1 1 3 2 1 1 2 5 3 6 4 5 0 1 4 3 2 1 3 3 0 6 26 10 11 8 10 2 2 5 6 4 1 2 4 3 10 43 11 5 3 3 3 2 2 2 2 1 1 2 2 1 2 2 2 1 2 4 7 4 13 22 4 3 2 8 3 1 1 5 7 2 2 4 2 3 9 4 3 1 3 3 3 8 20 23 5 2 3 5 11 2 5 9 10 3 9 8 10 2 7 4 2 2 5 17 4 2 10 33 45 26 11 20 29 6 29 24 16 6 4 2 2 8 3 2 8 5 2 2 1 1 2 1 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 3 2 1 2 3 2 0 1 3 2 1 2 6 4 1 3 12 20 3 38 100 26 9 6 3 2 2 3 2 2 1 2 2 1 0 2 2 1 0 2 4 3 5 21 66 28 17 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 16 | 80 79 m 3H | 75 75 dt 1H J 25 123 | 74 72 m 5H | 58 57 d 1H J 77 | 45 44 td 1H J 8 68 | 23 23 dp 1H J 51 64 | 17 17 d 4H J 51 | 16 15 s 8H | 10 9 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCN(c1ccncc1)n1ccc2cc(OC(=O)NCc3ccccc3)ccc21 | ir: 7 8 3 6 3 6 3 3 4 4 3 6 3 7 4 3 2 2 6 3 2 4 4 6 5 6 21 36 29 10 15 35 19 6 14 7 5 6 3 23 14 7 8 3 4 6 7 7 2 2 2 2 2 2 6 48 5 2 5 4 1 2 5 5 5 1 3 5 9 10 4 52 32 35 9 4 7 6 2 1 2 8 2 1 2 2 3 2 5 5 7 5 10 3 2 2 2 9 8 5 4 7 2 6 3 1 2 3 6 5 1 32 8 2 1 2 3 4 6 6 7 9 6 3 8 3 2 4 3 3 0 3 2 2 8 7 3 2 6 37 4 56 16 9 14 8 17 8 17 33 6 7 21 20 12 14 4 4 3 4 2 7 32 36 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 2 1 2 2 2 4 6 23 11 35 100 40 14 16 13 12 7 3 2 2 1 2 1 1 2 2 1 2 1 2 3 2 3 5 12 13 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 m 2H | 78 77 d 1H J 82 | 76 76 d 1H J 45 | 75 75 t 1H J 23 | 74 72 m 3H | 73 73 s 2H | 71 71 dd 1H J 24 82 | 69 69 dd 1H J 22 44 | 67 66 m 2H | 64 64 t 1H J 60 | 44 43 m 2H | 36 35 t 2H J 62 | 17 16 qt 2H J 62 70 | 10 10 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccc(NC2CCCN(c3nc(-c4ccccc4Cl)cc(C(F)(F)F)c3C#N)C2)nc1 | ir: 4 5 7 12 5 7 2 4 8 4 6 6 6 15 15 11 9 15 10 21 9 8 9 18 9 2 6 5 2 10 7 3 10 3 5 5 6 40 26 12 6 6 39 16 4 18 8 3 5 6 4 4 15 28 25 11 6 5 3 3 2 1 2 4 5 4 5 15 9 13 25 13 4 4 4 6 6 6 4 1 9 5 2 2 1 2 1 7 13 8 8 8 6 6 5 6 5 8 7 41 11 3 1 2 2 4 7 9 6 7 20 8 9 12 14 22 19 4 6 27 12 5 59 28 7 5 5 4 6 11 21 7 1 5 11 23 19 44 15 19 21 15 5 4 6 6 4 27 11 7 50 36 3 6 4 1 4 13 3 66 8 27 7 2 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 0 8 1 1 1 1 0 1 1 1 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 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 3 3 3 2 4 3 4 3 8 11 7 43 62 20 24 10 9 4 2 2 2 1 1 2 2 1 1 3 2 1 1 3 5 4 2 12 65 100 21 10 5 3 3 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 88 87 d 1H J 19 | 81 80 m 2H | 78 77 m 1H | 75 74 m 1H | 74 73 m 2H | 69 69 d 1H J 82 | 63 63 d 1H J 77 | 43 42 m 1H | 40 39 dd 1H J 49 131 | 37 36 m 2H | 37 36 ddd 1H J 44 67 135 | 20 19 m 2H | 19 17 m 1H | 17 16 dddd 1H J 53 61 88 130 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 | ir: 2 2 5 5 3 3 6 8 3 5 6 9 2 3 4 8 3 2 2 2 2 5 14 6 3 3 3 3 2 8 10 4 1 3 7 10 39 55 26 40 8 0 3 2 2 1 2 3 4 1 2 3 2 3 10 21 10 4 8 5 2 2 4 6 10 23 9 5 5 8 2 2 1 2 2 2 2 1 4 3 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 4 2 3 6 3 2 2 5 11 31 2 0 2 2 2 14 6 2 2 1 2 3 3 2 5 3 2 2 6 5 2 1 2 3 2 1 1 2 3 4 2 20 16 4 3 7 2 8 25 35 12 4 12 21 11 81 10 8 11 3 0 2 9 100 7 3 2 15 5 3 5 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 4 11 7 20 27 31 5 6 6 3 2 5 2 3 2 4 2 2 1 2 1 2 4 2 2 2 3 5 8 21 100 73 10 5 10 6 2 1 1 1 2 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; 1HNMR: 86 85 s 1H | 84 83 m 2H | 76 75 m 3H | 73 72 m 2H | 71 70 m 2H | 64 64 s 1H | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(Cc2nc3cc(CN4C(=O)c5ccccc5C4=O)ccc3[nH]2)nc2cc(C(=O)O)ccc21 | ir: 1 1 5 5 4 2 2 1 4 1 3 1 3 2 5 4 2 3 6 5 16 22 45 39 29 38 4 4 2 3 4 3 2 3 15 2 8 6 2 5 6 17 8 4 2 1 5 4 1 1 1 2 1 2 12 4 2 2 1 0 2 12 2 1 2 1 2 11 14 5 2 1 1 0 2 1 3 5 7 12 7 1 2 1 0 1 2 2 2 1 1 1 1 1 1 1 0 0 0 1 8 12 1 1 0 1 3 3 1 0 0 1 1 1 1 11 1 2 5 11 7 7 7 2 4 6 2 4 2 1 1 1 18 4 9 4 3 1 21 2 9 1 2 0 0 20 29 12 1 1 1 0 1 8 94 8 7 1 1 13 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 0 1 1 1 2 1 9 5 7 67 12 2 2 4 1 0 1 4 11 100 5 2 1 0 0 1 1 1 2 1 1 0 1 1 2 8 15 6 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 24 | 80 80 dd 1H J 22 84 | 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 50 | 75 75 dq 1H J 8 17 | 74 74 d 1H J 84 | 73 72 m 2H | 53 52 d 2H J 9 | 38 38 s 2H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(-c2nc(Cl)nc(Nc3ccc(O)cc3)n2)c1 | ir: 6 6 6 5 7 6 5 7 6 7 8 8 11 9 7 6 6 6 6 6 6 8 8 7 6 7 9 7 25 12 9 12 25 12 6 6 6 5 5 6 7 4 6 7 7 0 64 0 6 9 7 4 5 40 10 38 18 5 7 8 6 5 6 7 5 6 6 8 6 23 6 6 6 5 6 6 5 5 7 15 31 13 10 6 7 6 6 5 6 11 6 8 5 7 6 5 5 5 5 6 5 5 9 18 14 6 9 5 4 5 6 9 5 5 5 5 4 5 6 5 5 6 10 6 5 7 6 7 5 5 5 5 4 6 6 4 5 7 7 5 48 6 9 23 6 9 21 49 14 7 13 16 56 27 12 8 7 5 6 6 5 5 5 13 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 7 9 10 41 12 9 6 7 6 6 10 40 6 7 5 6 5 5 5 5 5 5 5 5 6 7 7 12 9 100 15 7 4 5 7 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 89 88 s 1H | 79 78 ddd 1H J 13 22 95 | 77 77 s 1H | 74 73 dd 1H J 79 95 | 73 72 m 3H | 69 69 ddd 1H J 13 22 81 | 69 68 m 2H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(-c3ccc4c(c3)OC(F)(F)O4)n2n1 | ir: 7 5 7 3 5 4 5 7 3 3 9 4 6 4 1 4 3 3 3 5 5 8 4 8 7 4 2 5 3 2 2 5 3 2 5 13 2 2 2 3 3 2 4 9 10 1 59 34 14 9 7 1 4 5 6 20 18 21 3 2 3 5 2 2 1 1 2 10 26 2 10 12 6 62 21 7 13 11 12 3 5 7 11 16 4 3 2 6 12 11 9 2 4 4 17 6 3 17 6 64 14 15 5 7 3 2 1 15 4 3 2 5 4 19 2 8 4 1 4 4 3 3 2 2 5 4 1 4 17 5 4 4 4 3 1 26 1 2 2 1 2 3 35 23 100 11 13 61 10 6 13 4 14 21 5 3 2 10 2 6 15 6 1 5 1 59 1 2 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 2 3 3 2 2 3 2 2 3 2 2 3 4 4 2 12 24 14 90 32 36 20 5 8 6 7 13 16 4 4 3 2 2 6 1 2 2 3 4 2 8 6 54 18 8 3 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 s 1H | 83 83 d 1H J 21 | 78 78 m 2H | 75 75 dd 1H J 20 70 | 73 73 m 2H | 72 72 m 2H | 67 66 s 1H | 31 31 s 1H | 22 22 s 3H | 15 14 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](N)C(=O)N[C@@H](C)c1cccc(-c2cccnc2)c1 | ir: 1 2 2 10 4 2 3 2 1 1 2 2 2 3 1 2 2 1 1 3 5 2 5 3 5 4 6 5 4 3 3 20 27 29 20 13 5 7 21 26 16 6 3 4 2 1 5 44 5 3 2 1 1 1 4 5 13 3 4 4 4 5 6 14 4 6 15 18 68 9 20 73 29 4 5 5 6 56 24 7 5 9 6 7 9 6 2 1 2 3 13 5 2 1 2 3 2 1 2 5 2 2 2 2 2 2 1 3 4 5 12 15 15 3 5 2 10 6 2 9 7 4 10 4 6 4 6 8 12 7 4 32 14 38 12 5 6 6 24 16 3 4 8 2 18 100 10 16 6 1 2 5 9 2 5 41 2 0 9 1 1 1 2 8 4 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 2 2 1 1 2 2 1 2 2 2 4 3 4 5 3 8 5 12 64 25 3 3 2 3 1 2 2 1 3 2 2 3 7 14 30 10 6 9 9 14 58 25 23 21 18 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 d 1H J 20 | 87 86 dd 1H J 18 48 | 79 79 dt 1H J 19 77 | 76 76 m 1H | 76 75 ddd 1H J 13 22 75 | 75 74 m 1H | 74 73 m 2H | 66 65 d 1H J 81 | 51 50 m 3H | 40 40 h 1H J 52 | 16 15 d 3H J 57 | 15 14 d 3H J 51 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cnc2ccc(F)c(CC(O)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2n1 | ir: 21 7 23 9 12 8 14 9 10 20 7 38 10 21 20 11 11 9 21 27 16 21 51 12 10 14 13 35 77 31 23 24 6 20 6 4 5 6 5 3 3 4 3 1 1 2 2 2 1 2 5 11 25 6 3 10 12 14 7 3 4 3 8 5 10 8 4 6 10 12 9 4 3 2 2 6 7 4 5 4 15 13 3 4 3 7 16 29 15 68 53 25 4 3 5 12 42 18 11 9 9 11 7 3 2 5 7 8 23 19 15 9 12 9 94 17 7 4 8 4 12 8 1 3 7 3 4 4 13 16 8 6 2 12 11 6 4 5 2 4 5 2 3 25 42 94 39 9 12 75 11 4 2 10 1 1 1 2 9 1 1 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 2 1 2 3 4 4 2 2 4 10 6 5 11 32 13 11 25 15 3 3 2 5 12 100 17 16 3 1 1 1 0 1 0 0 1 1 1 1 4 10 35 13 6 4 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; 1HNMR: 83 83 s 1H | 79 78 dd 1H J 47 87 | 73 72 dd 1H J 88 101 | 45 44 d 1H J 71 | 42 41 tdt 1H J 53 61 95 | 40 39 s 2H | 37 36 dp 1H J 44 71 | 36 36 d 1H J 62 | 33 32 ddd 1H J 49 96 176 | 31 30 ddd 1H J 49 96 176 | 30 29 dd 1H J 53 119 | 29 28 ddd 2H J 55 81 128 | 28 27 m 3H | 19 18 dddd 2H J 45 56 82 127 | 17 16 dddd 2H J 45 56 82 129 | 14 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(C#N)cnc1OC | ir: 11 10 9 9 10 10 13 16 17 11 7 10 10 10 9 11 12 21 11 11 13 10 8 10 9 8 7 18 11 8 8 9 10 10 12 18 17 22 33 25 48 24 16 9 9 9 8 8 8 8 8 9 8 8 9 10 24 14 9 9 8 8 9 15 11 8 10 12 18 12 11 9 8 8 12 9 8 8 8 9 8 8 9 9 8 8 9 10 11 18 15 16 18 22 11 10 8 8 9 9 8 13 15 8 8 8 9 9 7 11 17 9 7 8 10 8 7 9 11 10 7 10 10 22 28 10 12 10 5 10 13 6 0 100 3 13 12 7 6 9 9 8 8 8 8 8 15 11 9 8 9 9 10 18 38 9 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 7 8 9 8 7 8 11 44 13 8 7 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 8 9 9 11 11 9 10 21 19 8 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 84 83 d 1H J 16 | 73 73 d 1H J 16 | 40 40 s 3H | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)[S@@](=O)/N=C/c1ccc(Oc2cncnc2)cc1 | ir: 3 4 2 2 8 2 3 4 7 4 1 2 6 2 11 18 5 4 3 3 10 3 7 11 11 5 12 4 2 3 7 3 5 12 11 100 7 2 5 5 4 4 2 3 8 2 3 2 4 3 2 8 19 2 14 20 45 6 3 3 3 7 2 2 3 3 4 27 2 17 3 3 1 1 2 2 2 2 3 15 22 2 3 3 3 3 6 2 2 2 4 3 2 2 2 2 1 2 3 8 8 3 8 4 2 2 4 2 3 14 95 18 13 69 6 4 3 2 2 4 5 3 3 4 10 16 24 4 3 8 3 2 2 2 2 2 2 2 2 2 3 2 3 4 26 21 4 2 2 10 5 4 13 4 4 32 4 4 5 7 2 0 2 42 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 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 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 2 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 4 12 6 3 12 38 18 5 8 3 3 4 2 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H | 87 87 t 1H J 17 | 83 83 d 2H J 16 | 80 80 m 2H | 70 70 m 2H | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(Cl)ccc2c1=O | ir: 0 1 2 1 1 4 1 1 1 1 1 1 3 12 5 5 4 1 3 2 2 1 1 5 30 41 5 2 0 2 2 1 5 2 2 1 1 2 1 1 1 2 2 1 1 1 2 48 17 6 2 0 1 2 1 6 9 6 1 0 2 3 1 4 2 3 12 9 2 3 1 0 1 2 1 1 5 21 3 6 17 0 1 1 3 2 1 1 2 2 1 2 4 2 1 1 1 1 1 1 2 3 1 3 1 1 0 1 1 1 1 1 1 1 1 1 3 14 0 1 2 1 1 1 2 1 0 2 2 1 1 1 2 11 3 2 2 1 1 1 2 2 1 2 2 17 8 3 2 2 1 2 4 9 12 7 1 1 1 2 2 2 1 3 1 12 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8 30 7 5 4 1 2 3 1 0 3 100 19 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 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; 1HNMR: 90 89 s 1H | 82 82 d 1H J 88 | 76 75 d 1H J 21 | 75 75 dd 1H J 21 89 | 74 73 m 2H | 71 70 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(OC(F)F)cc1OCC2 | ir: 6 6 0 6 7 5 2 6 5 9 9 37 42 15 11 7 13 10 5 7 16 11 6 6 7 4 5 8 4 6 5 3 5 4 3 3 5 11 6 13 6 1 3 4 3 1 3 9 5 4 4 4 4 12 8 19 4 7 8 10 14 4 8 16 15 12 12 14 44 20 8 8 10 19 14 51 38 18 10 12 4 2 4 3 2 3 6 7 10 8 5 3 4 6 13 12 12 47 55 10 24 3 5 3 2 2 6 4 3 4 6 4 4 11 20 13 7 7 12 7 3 9 14 6 11 52 6 3 7 9 9 6 5 6 29 17 29 61 4 2 1 3 5 25 8 6 8 5 2 3 8 18 42 19 43 8 2 5 3 1 10 11 8 5 5 4 3 1 2 4 2 0 2 4 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 2 3 3 1 1 3 2 1 2 3 3 3 3 3 3 2 3 4 4 2 3 6 4 5 4 6 21 11 29 100 34 4 10 4 18 9 9 5 6 2 5 3 3 2 2 3 2 1 2 3 2 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 81 81 s 1H | 78 77 d 1H J 88 | 76 76 d 1H J 9 | 69 69 dd 1H J 22 88 | 66 66 m 2H | 49 48 hept 1H J 49 | 44 43 t 2H J 44 | 42 41 td 2H J 10 46 | 16 16 d 6H J 49 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCC(C(=O)O)c1cccc(C(=O)c2cc3ccsc3s2)c1 | ir: 1 1 1 1 2 2 1 3 2 2 3 1 2 3 3 3 7 3 15 6 21 36 7 4 3 6 2 1 2 1 1 2 4 0 4 2 1 1 1 2 13 4 3 4 6 3 2 3 5 3 2 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 1 4 2 1 0 4 9 2 3 100 1 4 5 2 2 3 2 2 4 2 2 0 1 4 3 2 3 1 1 3 1 1 1 0 0 3 2 2 8 2 13 1 1 2 2 1 1 1 1 1 3 3 2 3 3 14 4 1 2 1 3 2 4 7 1 0 1 1 1 1 3 19 2 4 43 2 16 5 8 2 1 1 1 1 1 1 2 1 1 2 1 1 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 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 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 4 2 2 2 2 11 10 3 8 7 3 1 1 1 1 2 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 1H | 78 77 m 2H | 75 74 m 2H | 74 74 dd 1H J 20 46 | 74 73 ddt 1H J 8 20 81 | 36 35 td 1H J 9 71 | 21 20 dtd 1H J 71 88 137 | 18 17 dtd 1H J 71 90 137 | 14 12 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. |
Cn1c(-c2ccccc2Cl)nnc1C(C)(C)N1C(=O)c2ccccc2C1=O | ir: 2 6 9 7 4 5 9 5 3 5 7 4 1 3 4 3 1 4 5 7 3 8 5 2 2 5 4 4 3 3 3 2 3 5 3 3 4 10 12 14 100 48 21 42 4 5 4 5 12 5 4 0 3 4 4 2 2 5 3 7 12 5 3 3 6 6 9 2 3 5 2 2 5 6 12 7 4 4 1 1 6 4 4 4 4 5 2 3 4 4 1 2 5 4 1 2 4 3 2 2 5 11 2 2 5 5 3 3 5 3 0 2 5 3 0 3 5 4 0 4 12 8 2 16 20 8 4 19 26 13 8 27 81 50 9 6 11 10 82 5 3 4 7 3 4 3 5 47 9 3 2 5 5 0 38 47 11 4 4 11 4 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 4 5 3 3 3 2 2 2 3 3 2 4 3 5 12 16 9 17 71 32 15 6 2 4 6 2 1 3 4 2 1 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 m 4H | 77 77 dd 2H J 31 51 | 75 75 m 1H | 75 74 m 2H | 39 38 s 3H | 22 22 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCc1nn(-c2cccc(/C=C/c3ccc(Cl)cc3)c2)c(COC)c1C(=O)OC | ir: 2 6 5 5 23 8 10 14 4 3 12 11 19 2 2 1 4 2 2 1 1 1 1 1 1 4 18 3 7 8 9 3 2 2 7 16 16 5 7 18 9 3 6 3 1 4 9 35 29 4 2 5 20 39 28 15 6 2 6 5 5 6 5 15 5 9 3 6 16 38 10 10 6 6 13 27 9 18 14 2 2 1 1 4 3 1 1 1 1 2 1 1 1 3 6 3 11 6 1 1 1 2 12 7 2 11 7 5 2 2 0 0 1 3 4 2 4 3 2 4 5 16 21 15 6 7 10 4 11 6 4 1 2 4 39 32 2 2 1 4 9 21 27 35 5 48 13 5 3 0 2 17 17 48 24 10 1 1 1 2 1 1 6 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 0 0 1 1 1 1 1 0 1 5 5 2 3 2 3 7 6 16 16 17 46 100 48 18 11 7 2 2 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 21 | 75 74 m 2H | 75 74 m 4H | 74 73 m 2H | 71 70 m 1H | 70 69 m 1H | 50 49 s 2H | 48 48 s 2H | 39 38 s 3H | 34 34 s 3H | 34 34 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCNC5(C(=O)O)CC5)cn(C)c34)no2)cc1Cl | ir: 3 1 0 2 2 2 1 2 3 3 3 4 4 3 3 5 10 3 5 13 17 16 13 12 10 6 4 3 5 2 6 4 3 5 4 17 20 14 5 8 12 4 10 5 5 2 6 0 25 2 2 5 3 4 6 8 2 3 2 4 2 1 3 4 2 2 4 9 3 6 3 4 5 4 5 8 20 16 35 26 8 6 2 4 3 4 3 4 2 5 3 1 1 3 4 21 8 5 4 3 1 1 3 3 0 7 7 3 10 4 9 7 6 8 4 3 3 3 11 5 6 16 5 4 10 7 29 19 10 7 3 4 2 3 1 4 13 3 2 2 1 13 4 3 6 10 21 3 3 4 6 7 2 2 4 3 1 1 1 10 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 2 2 5 4 6 7 3 11 72 43 3 11 2 4 0 3 4 9 28 3 1 1 2 3 2 6 6 35 100 17 7 4 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 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; 1HNMR: 80 80 dd 1H J 7 88 | 80 79 d 1H J 21 | 78 78 dd 1H J 22 90 | 78 77 m 1H | 76 75 dd 1H J 71 87 | 72 71 d 1H J 88 | 69 69 d 1H J 9 | 47 46 hept 1H J 55 | 44 44 t 1H J 33 | 38 37 s 3H | 30 29 m 4H | 19 19 m 2H | 17 16 m 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. |
COc1ccc(N2CCC(N(C)C(=O)n3cnc(-c4cccc(NS(C)(=O)=O)c4)c3)CC2)cc1 | ir: 4 7 5 6 6 6 8 11 18 9 12 5 6 3 3 2 4 3 2 4 1 1 5 4 1 8 2 5 2 5 3 1 14 18 42 14 3 3 4 1 2 3 2 2 6 9 10 21 25 20 16 10 4 27 18 44 46 14 5 4 3 1 2 9 3 6 7 5 8 25 95 95 24 10 6 4 3 3 5 8 2 5 3 2 4 4 5 45 66 56 32 31 15 28 26 9 6 7 8 2 7 19 15 9 3 4 8 3 1 9 16 4 8 3 7 4 1 7 5 10 6 7 19 29 56 7 13 11 3 6 7 5 1 5 9 8 1 2 2 2 7 5 22 3 2 1 2 0 1 9 5 5 4 5 3 1 1 26 2 2 1 0 0 0 4 15 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 1 8 2 2 1 2 5 4 3 4 3 5 3 6 9 24 100 10 14 73 28 31 14 7 5 2 2 2 1 1 0 1 0 0 0 0 0 1 1 1 1 1 2 2 8 23 11 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 2H | 77 77 t 1H J 22 | 75 74 t 1H J 82 | 73 73 m 2H | 72 72 ddd 1H J 13 22 86 | 69 69 m 2H | 69 68 m 2H | 42 41 pq 1H J 15 53 | 38 38 s 2H | 35 34 ddd 2H J 53 81 123 | 33 32 ddd 2H J 54 81 125 | 30 30 d 3H J 14 | 29 29 s 2H | 22 21 ddt 2H J 54 81 119 | 19 19 ddt 2H J 54 81 117 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(C)c1ccc2sc(CC(C)C)nc2c1 | ir: 8 7 5 5 21 8 4 7 5 17 4 4 5 2 3 2 1 1 1 1 2 3 4 8 4 5 4 11 6 5 8 5 8 5 2 2 3 1 2 2 2 2 2 2 8 4 3 3 2 2 3 2 2 3 41 14 3 1 5 4 2 1 4 14 4 4 19 28 15 9 3 2 2 10 6 4 3 2 1 3 3 2 1 1 1 1 2 2 4 5 11 13 12 16 43 13 9 8 3 3 2 2 2 2 4 2 4 6 4 21 22 25 12 15 9 8 16 22 7 26 28 16 16 10 14 10 5 9 6 7 24 6 4 6 6 5 12 8 5 10 8 11 16 39 91 16 6 8 4 24 4 2 4 4 8 4 1 1 1 1 1 2 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 2 3 3 3 2 4 7 11 7 21 8 12 4 44 37 33 100 67 14 6 6 5 1 2 3 1 0 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 8 17 | 79 79 d 1H J 83 | 75 75 m 1H | 38 37 m 1H | 37 36 s 2H | 29 29 d 2H J 59 | 22 20 dddd 1H J 58 68 126 137 | 15 14 d 3H J 73 | 10 10 d 6H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)C1CCc2cc(O)ccc2C1 | ir: 4 4 4 8 7 7 5 4 3 4 4 4 4 7 6 4 5 4 4 5 4 3 4 4 4 3 4 3 3 3 3 3 4 4 4 3 4 3 3 3 3 3 3 3 4 4 4 4 5 8 6 4 6 8 11 15 13 4 4 3 4 5 5 4 5 7 6 12 7 6 4 4 4 4 4 3 4 5 11 43 41 4 6 7 8 4 9 15 15 9 7 4 7 6 9 4 3 3 4 3 3 4 4 4 5 5 5 5 5 5 6 5 5 4 4 4 4 4 5 6 5 6 5 5 6 5 4 4 4 4 4 4 3 4 4 4 4 4 4 3 4 5 4 5 4 4 3 3 4 10 7 8 10 5 7 4 3 3 3 3 4 6 8 4 4 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 5 4 4 3 4 4 4 4 4 4 4 4 5 4 4 4 4 5 6 6 7 6 4 4 6 7 10 8 9 19 24 30 10 4 0 6 14 20 59 100 10 5 7 3 2 4 5 3 2 4 4 3 3 4 4 3 3 5 5 4 4 4 4 3 3 4 4 4 4 6 4 3 3 4 3 3 4 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 3 3 3 3 3 3; 1HNMR: 69 68 dt 1H J 9 88 | 66 66 dd 1H J 21 87 | 65 64 dd 1H J 10 21 | 53 53 s 1H | 29 28 m 2H | 28 27 dddd 1H J 8 60 86 143 | 27 26 ddd 1H J 8 72 145 | 19 18 dddd 1H J 60 71 86 130 | 17 15 m 3H | 9 8 dd 3H J 15 64 | 8 8 dd 3H J 15 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCN(c2nsnc2OCc2ccncc2)CC1 | ir: 9 16 17 8 14 8 9 8 15 11 22 9 12 4 2 4 4 3 5 16 14 5 5 3 2 2 3 3 2 3 3 6 9 4 2 2 4 2 2 2 2 4 3 4 3 3 2 2 2 2 2 2 2 2 2 3 2 3 2 2 3 3 2 6 4 1 5 4 4 6 5 7 9 9 7 8 4 2 3 1 2 3 2 2 2 2 2 3 11 18 5 4 4 4 4 5 9 14 5 9 12 9 31 16 4 3 3 3 2 3 10 20 9 11 7 6 2 5 10 7 10 27 25 9 12 6 6 7 5 13 12 13 18 7 1 3 9 5 3 3 3 1 2 3 11 2 3 9 7 8 1 100 5 5 3 0 1 3 4 12 9 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 2 3 2 3 4 3 2 2 3 2 3 3 10 19 8 6 8 4 9 3 3 2 2 2 2 2 2 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 86 m 2H | 74 73 dt 2H J 9 45 | 54 54 d 2H J 9 | 38 37 dd 4H J 44 59 | 37 36 dd 4H J 45 59 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNc1cnc(SC)nc1Oc1ccccc1Cl | ir: 1 1 1 1 2 1 1 2 2 1 3 5 5 8 12 7 11 10 4 12 15 11 6 4 3 4 2 4 3 2 2 2 2 2 3 3 4 6 11 12 7 12 21 11 13 6 6 3 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 2 2 1 2 2 2 2 2 1 1 3 2 2 1 1 2 2 1 2 1 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 3 4 2 2 2 1 5 5 4 1 4 3 1 0 2 6 6 6 8 4 2 0 4 4 4 1 6 9 32 100 24 3 7 5 24 19 4 3 1 1 6 17 8 2 2 9 1 1 1 1 2 2 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 3 1 9 17 11 6 3 1 2 2 2 1 1 1 1 1 2 1 2 2 2 5 1 1 3 9 5 17 32 9 5 6 11 9 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H | 74 73 dd 1H J 14 79 | 73 73 td 1H J 13 75 | 71 70 dd 1H J 12 77 | 70 70 td 1H J 11 76 | 65 64 q 1H J 59 | 32 32 d 3H J 58 | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccnc(N2CC3CNCC3C2)n1 | ir: 1 2 3 1 0 4 4 3 1 3 6 3 2 3 3 2 2 4 3 0 0 0 0 0 0 1 0 0 1 2 1 1 4 2 11 100 20 1 1 3 1 0 1 7 11 6 3 5 4 1 4 5 1 1 1 3 1 3 3 2 14 18 3 3 6 5 6 4 12 20 12 6 6 15 17 2 2 1 1 3 0 0 0 0 0 0 1 1 0 0 2 3 1 1 1 1 1 5 1 2 0 4 8 7 19 33 11 43 18 10 5 5 2 4 4 8 6 10 6 19 1 6 2 3 1 3 3 1 1 1 1 0 2 1 1 0 0 11 10 13 2 1 1 1 0 25 18 4 17 43 14 4 2 2 4 9 59 10 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 1 1 1 0 1 1 2 1 2 2 2 3 3 2 5 3 2 11 11 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 22 35 10 2 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: 81 80 d 1H J 53 | 67 67 m 1H | 41 40 ddd 2H J 13 24 150 | 39 38 ddd 2H J 13 24 150 | 31 31 m 2H | 29 28 m 2H | 25 24 p 1H J 44 | 24 23 d 3H J 7 | 21 20 dqd 2H J 8 17 27 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#CCn1c2c(c(=O)n(-c3ccc(Cl)c(C(=O)OCC)c3)c1=O)CCC2 | ir: 3 3 3 4 3 5 8 5 8 7 9 4 2 6 3 2 2 3 3 2 2 3 3 3 2 3 8 5 3 3 3 2 2 3 3 2 3 3 3 2 2 3 6 3 3 3 3 2 4 4 9 18 30 18 7 3 6 26 10 3 4 4 3 4 3 3 3 5 5 5 2 3 3 3 5 4 6 5 6 4 3 3 2 2 5 3 2 2 3 3 3 5 3 3 2 2 3 3 2 3 3 5 23 8 4 3 4 3 3 2 2 3 6 5 3 4 4 4 3 3 4 3 3 3 3 3 2 3 5 7 7 2 3 2 5 3 2 3 3 5 7 3 2 2 3 4 12 14 3 2 13 3 5 17 21 2 2 5 5 100 8 0 3 6 3 1 2 4 2 1 2 3 2 1 2 3 5 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 3 2 2 2 3 3 2 3 3 4 3 3 4 3 3 3 3 4 4 14 5 9 12 11 5 5 2 2 3 2 2 3 3 2 2 3 3 2 3 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 d 1H J 18 | 75 74 m 2H | 47 46 d 2H J 26 | 43 42 q 2H J 64 | 28 28 t 2H J 56 | 27 26 t 1H J 25 | 26 25 dd 2H J 63 70 | 15 14 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCn1c(COC)nc2c(N)nc3ccc(OCCCCl)cc3c21 | ir: 9 2 2 2 6 3 8 6 2 4 8 6 6 4 5 4 5 5 5 5 4 4 4 5 7 2 8 3 6 9 4 14 10 7 5 4 4 4 6 6 6 10 17 5 3 9 11 9 20 12 6 4 19 41 12 10 10 19 5 3 2 5 6 4 11 6 7 5 11 22 43 33 15 8 7 8 6 4 11 4 4 3 2 2 1 2 3 6 3 3 7 3 2 2 3 3 2 4 1 2 4 2 2 3 4 10 12 45 48 31 13 20 5 8 17 9 4 12 17 28 10 11 11 18 12 8 6 19 14 3 6 5 4 2 2 2 2 5 6 20 38 18 4 1 1 1 1 2 5 5 9 2 1 2 4 5 54 28 3 4 1 1 1 5 15 2 4 13 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 5 7 4 11 20 7 29 17 5 7 3 16 7 26 93 100 58 24 88 56 17 16 9 5 5 5 2 2 3 2 3 4 3 11 57 3 3 2 0 3 10 60 7 3 2 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 90 | 74 74 d 1H J 27 | 70 70 dd 1H J 27 88 | 64 63 s 2H | 45 45 s 2H | 43 42 t 2H J 49 | 41 41 t 2H J 49 | 38 37 t 2H J 38 | 34 34 s 2H | 22 22 tt 2H J 37 49 | 18 17 qt 2H J 49 72 | 10 9 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cnc2c(=O)[nH]c3c(CNCCN4CCOCC4)cccc3n12 | ir: 8 6 9 6 4 4 3 7 5 2 3 5 5 2 1 6 13 7 3 7 9 4 3 5 26 5 2 3 3 1 3 3 3 3 5 5 4 4 19 26 11 12 9 14 22 6 9 8 13 7 9 5 4 3 9 12 7 3 8 13 3 8 7 5 2 3 3 4 5 4 6 5 35 18 5 3 2 2 8 18 25 4 6 30 2 5 6 3 2 1 4 9 8 13 17 4 3 7 11 9 7 6 6 3 1 2 5 3 1 3 8 11 2 38 71 25 14 11 40 16 12 7 13 25 8 20 12 7 1 3 4 3 2 3 12 3 4 5 4 10 41 5 3 4 13 13 3 2 1 6 5 2 23 13 3 1 5 14 10 2 37 16 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 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 2 3 3 2 2 3 3 2 2 4 3 3 6 6 3 8 13 28 19 10 6 5 5 8 8 17 76 28 10 51 68 100 11 7 2 0 4 4 2 0 2 3 1 0 3 3 2 3 12 35 11 5 23 21 29 5 4 4 1 1 3 3 2 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1; 1HNMR: 96 96 s 1H | 76 75 dd 1H J 15 64 | 74 73 m 2H | 73 73 ddt 1H J 8 15 76 | 39 39 dd 2H J 8 58 | 37 37 m 4H | 30 29 tt 1H J 45 57 | 29 28 m 4H | 27 26 t 2H J 51 | 26 25 m 4H | 13 13 t 3H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C1=COc2ccc(O)cc2O1 | ir: 8 8 6 7 10 7 6 6 7 8 6 7 7 7 6 7 7 11 8 8 7 9 10 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 6 6 6 6 6 6 6 7 6 15 18 34 19 7 6 7 7 10 7 7 8 6 5 7 10 12 8 8 7 6 6 7 12 13 10 12 58 36 18 7 7 7 7 10 9 11 9 12 8 6 6 7 7 6 6 7 6 5 6 7 7 5 6 7 11 7 7 7 6 6 7 9 8 7 7 8 7 7 8 9 7 7 7 8 9 11 8 7 6 5 7 7 6 5 7 7 5 5 8 8 19 14 8 8 0 47 100 7 10 12 10 6 8 7 5 6 7 6 7 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 7 7 6 6 6 7 7 7 7 6 6 6 7 11 10 10 25 27 31 9 7 8 6 5 10 24 15 7 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 82 82 s 1H | 73 73 s 1H | 68 68 d 1H J 89 | 66 66 dd 1H J 22 90 | 65 65 d 1H J 22 | 42 41 q 2H J 71 | 13 12 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)CCc2c(N3CCSCC3)nc3sc(C(N)=O)c(N)c3c2C1 | ir: 1 1 1 1 1 2 2 1 1 1 2 2 1 4 3 4 4 5 13 3 1 3 4 2 2 3 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 9 39 11 6 3 5 2 2 1 1 1 2 3 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 6 4 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 2 3 1 1 2 1 1 0 1 1 1 1 2 1 2 2 4 2 1 1 1 1 1 1 1 1 1 1 2 0 1 2 3 1 2 1 1 0 0 1 1 0 1 3 0 0 1 1 1 1 1 3 33 2 23 63 22 2 2 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 3 2 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 3 9 14 1 1 1 1 1 1 1 1 1 1 3 100 6 3 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; 1HNMR: 72 72 s 2H | 71 71 s 2H | 39 38 m 5H | 30 30 s 2H | 30 29 m 7H | 17 16 m 2H | 10 10 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)cs1 | ir: 2 3 4 2 0 3 5 8 5 11 11 5 3 3 3 2 1 2 3 1 0 2 3 1 0 2 3 1 5 7 13 11 21 9 5 9 2 3 3 3 5 3 5 6 46 20 22 31 31 41 5 3 7 7 11 3 9 9 4 3 14 35 18 8 4 7 4 9 23 19 3 7 9 11 48 32 27 6 3 3 10 6 6 4 7 20 41 34 10 3 4 4 7 11 13 24 9 28 13 35 17 5 2 4 5 5 30 8 5 3 1 70 26 7 1 9 5 5 9 19 37 20 51 22 20 6 2 15 100 57 67 13 0 5 4 2 5 21 56 15 6 5 17 46 13 3 2 2 2 1 2 3 2 2 2 1 4 12 4 2 1 1 1 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 2 1 2 1 2 1 2 2 3 3 4 7 13 16 6 5 5 13 7 4 4 11 11 15 27 51 90 50 43 81 85 29 10 4 6 5 4 1 2 2 2 0 2 4 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 84 83 dd 1H J 82 104 | 82 82 t 1H J 21 | 78 78 ddd 1H J 11 22 104 | 77 77 ddd 1H J 12 21 82 | 76 76 s 1H | 56 55 s 2H | 12 12 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CC[C@@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1 | ir: 3 4 3 2 3 3 4 3 3 4 2 5 5 8 7 4 5 5 7 9 5 11 8 13 7 4 3 3 4 2 4 2 2 2 2 2 3 2 1 1 1 2 1 1 1 2 2 1 1 2 1 3 2 6 7 50 19 2 3 2 3 10 5 2 14 4 6 8 7 22 9 4 4 3 4 4 3 3 3 2 1 2 3 3 3 7 8 37 56 24 23 14 14 7 4 4 4 7 2 7 4 4 3 9 5 4 4 3 4 5 7 4 3 4 3 6 12 7 6 10 13 4 4 4 6 9 5 3 4 9 4 7 4 18 7 5 3 1 3 10 2 2 2 2 2 2 3 10 23 95 9 4 4 7 4 2 1 1 1 2 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 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 2 2 1 1 2 1 2 2 3 2 1 1 2 4 3 3 5 4 6 1 22 5 10 12 18 3 23 53 12 5 5 6 5 11 11 100 16 6 3 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 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 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; 1HNMR: 72 72 m 2H | 69 68 m 2H | 58 57 m 1H | 52 52 m 1H | 50 49 ddt 1H J 12 23 161 | 48 47 m 1H | 38 37 m 1H | 38 38 s 3H | 37 36 dd 1H J 26 112 | 34 33 ddd 1H J 17 46 112 | 26 25 m 2H | 24 22 m 2H | 22 21 dddd 1H J 26 44 62 107 | 21 20 m 1H | 15 14 d 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCOc1cccc2c1CCNC2 | ir: 1 1 2 2 2 3 1 2 4 2 2 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 3 2 1 1 1 1 2 2 1 1 9 13 20 8 6 9 14 17 14 6 2 35 60 11 18 12 5 6 9 10 14 17 10 20 7 5 2 4 3 4 3 2 4 7 2 1 2 3 5 2 1 1 1 1 1 2 6 6 3 4 2 5 4 3 2 2 2 4 3 3 2 3 2 0 1 11 9 27 25 7 9 7 8 6 6 2 4 5 3 3 3 4 3 4 8 8 31 11 2 2 2 6 2 2 8 3 5 12 15 3 2 1 2 1 1 2 1 1 2 2 3 3 2 2 8 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 2 2 2 2 1 4 5 3 2 2 1 2 3 3 8 8 4 8 35 11 5 2 2 2 3 3 2 2 2 1 0 3 4 7 10 4 7 28 100 93 7 3 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 m 1H | 70 69 dq 1H J 10 82 | 68 67 dd 1H J 11 82 | 42 41 t 2H J 49 | 40 39 dd 2H J 9 46 | 37 36 t 2H J 49 | 34 34 s 2H | 31 30 q 2H J 43 | 29 29 td 2H J 19 42 | 26 25 p 1H J 44 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cc(Cl)cc2N2CCOCC2)cc1 | ir: 7 2 9 6 6 3 2 3 1 3 2 1 1 2 6 4 3 4 2 1 3 2 3 4 1 2 4 5 5 6 5 8 15 23 13 57 17 19 16 15 25 44 20 28 24 9 5 10 8 13 10 8 7 19 28 14 13 7 4 3 2 0 2 2 1 3 7 34 2 13 5 3 2 5 5 1 1 1 1 1 1 1 1 1 1 4 6 2 5 5 3 3 2 2 2 2 22 33 8 13 9 2 2 1 0 1 1 1 0 1 2 4 2 6 4 1 1 1 3 3 3 4 5 1 2 4 3 0 1 2 2 8 6 7 7 3 0 2 2 0 0 8 27 38 33 61 54 69 25 28 32 47 9 10 4 6 5 1 4 11 7 7 5 0 1 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1 2 2 2 12 7 29 60 44 4 14 6 2 1 1 2 1 0 2 2 1 4 4 5 1 1 11 7 4 2 9 31 100 29 7 4 3 2 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 91 91 d 1H J 80 | 86 86 d 1H J 19 | 82 81 m 2H | 81 80 m 2H | 77 76 dd 2H J 21 76 | 70 69 d 1H J 22 | 38 37 m 4H | 34 33 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CC(C)N=COCC | ir: 2 2 2 1 2 2 1 1 1 1 3 1 0 1 1 1 1 1 1 1 1 1 1 2 2 3 5 18 13 5 5 3 3 4 1 2 1 2 1 1 1 1 1 0 1 1 1 1 1 1 2 2 1 2 4 10 3 2 1 0 1 2 1 2 1 4 1 3 11 42 21 10 20 23 16 4 4 5 9 3 4 4 7 7 6 6 23 100 9 14 7 6 4 2 1 1 1 2 1 2 1 2 3 2 2 15 6 6 10 10 5 3 8 10 3 5 4 5 4 6 2 1 1 1 2 1 5 5 5 1 1 1 2 2 2 3 7 16 32 9 2 2 2 2 1 1 1 1 1 1 1 1 2 4 11 21 8 3 9 6 2 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 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 3 3 3 6 21 11 6 17 11 9 32 2 3 4 18 5 8 9 3 8 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 t 1H J 9 | 58 57 m 1H | 54 53 dt 1H J 22 165 | 52 51 dt 1H J 21 110 | 39 38 qt 2H J 8 61 | 34 33 pt 1H J 24 79 | 13 12 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=Cc1ccccc1S(=O)(=O)N1CCCc2ccccc21 | ir: 3 2 1 2 4 4 8 20 10 9 7 7 4 3 8 3 7 19 2 3 2 2 0 2 3 3 1 2 3 1 1 2 2 1 2 4 3 2 2 12 11 57 100 5 5 3 5 10 2 1 2 3 3 1 1 2 2 1 2 4 8 8 2 4 6 10 2 12 5 2 5 6 12 2 5 6 2 1 3 12 9 4 3 7 41 24 19 37 15 16 6 8 16 4 4 3 1 1 3 2 2 8 5 2 0 2 3 2 1 3 12 12 3 5 6 3 2 3 4 2 1 2 3 2 1 2 2 2 0 2 2 1 1 2 6 14 10 12 13 3 1 2 3 5 14 7 3 4 12 7 8 3 2 4 5 1 1 2 2 3 5 8 1 1 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 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 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 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 6 7 3 8 24 24 23 3 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 0 1 2 1 0; 1HNMR: 81 80 dd 1H J 14 77 | 80 80 dd 1H J 14 88 | 79 78 ddd 1H J 14 75 88 | 76 76 td 1H J 14 77 | 73 72 td 1H J 18 75 | 71 70 ddt 1H J 8 17 80 | 70 69 dd 1H J 14 74 | 69 68 td 1H J 13 79 | 41 40 dt 1H J 56 132 | 39 39 dt 1H J 56 130 | 29 28 m 2H | 20 19 tt 2H J 56 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)cc1 | ir: 4 6 2 9 22 25 14 5 2 8 21 10 28 5 8 10 2 5 5 3 5 3 3 2 1 3 4 2 2 3 3 3 4 5 5 4 16 5 5 3 3 2 35 40 8 62 4 13 5 32 8 11 9 1 14 51 7 13 4 1 4 13 3 1 3 4 2 0 3 29 5 7 3 4 1 1 4 4 3 4 3 4 2 1 4 6 6 5 17 23 36 100 22 7 3 6 17 12 5 3 6 4 5 8 28 4 7 3 4 4 6 4 6 5 6 8 9 17 17 22 17 15 11 6 5 6 5 7 6 10 6 16 3 3 2 3 4 5 5 3 3 3 3 5 3 4 2 4 14 27 46 92 100 66 5 8 4 1 1 4 2 3 15 5 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 2 3 2 2 4 4 3 3 4 3 3 4 5 4 3 3 7 7 13 28 10 15 27 15 6 4 4 6 7 8 62 7 6 2 3 3 3 2 2 2 4 2 4 7 16 4 10 45 6 4 1 3 2 2 1 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 83 83 s 1H | 75 75 m 2H | 73 72 m 2H | 41 40 p 1H J 51 | 40 39 ddd 1H J 53 64 108 | 37 36 m 5H | 36 35 m 4H | 35 34 dd 1H J 50 111 | 25 25 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. |
CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 | ir: 5 6 5 4 2 4 7 3 3 7 13 10 14 12 15 4 2 5 7 4 5 7 7 7 8 10 10 14 10 9 8 13 7 5 12 18 8 8 9 6 3 5 3 2 4 7 4 1 2 4 3 2 6 21 9 14 48 56 25 0 5 9 6 17 9 4 2 1 4 19 4 2 3 3 2 0 3 6 4 1 5 13 9 14 44 7 12 10 15 4 2 3 11 25 10 14 16 7 3 7 20 78 8 5 3 2 2 12 13 4 3 3 4 3 4 3 15 6 6 10 29 7 4 10 25 15 3 7 9 25 12 8 5 4 2 3 3 1 2 3 3 2 2 4 3 3 33 31 21 8 4 5 15 4 4 3 2 1 2 4 8 9 3 3 2 1 2 3 2 2 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 2 3 3 1 1 3 2 1 2 3 3 2 2 3 3 0 3 4 3 3 3 7 4 2 12 25 49 64 37 12 5 5 11 5 5 3 6 5 2 1 2 3 2 1 3 4 2 2 3 4 2 4 20 44 100 31 6 3 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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: 77 77 m 2H | 73 73 dq 2H J 9 86 | 73 72 m 5H | 70 70 s 1H | 25 25 s 2H | 24 24 d 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)c2cccc(I)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | ir: 2 3 2 5 2 4 3 2 2 2 4 3 3 2 1 2 2 2 1 4 4 6 2 2 2 3 3 1 1 3 2 1 1 2 1 1 2 1 3 3 5 44 7 3 2 1 1 1 1 1 2 1 1 3 1 1 1 1 1 1 1 1 2 2 2 2 14 8 3 2 9 2 4 2 2 1 2 2 6 1 2 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 13 8 2 10 3 2 3 3 2 1 1 1 2 2 3 2 2 3 3 3 3 5 13 14 12 17 8 5 2 3 3 1 1 2 1 1 1 2 9 28 2 2 2 0 100 14 8 60 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 2 4 3 4 4 6 4 3 9 9 6 10 18 6 5 5 2 1 1 2 1 1 1 1 1 1 1 1 1 2 5 3 1 1 2 3 5 7 2 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 1 1 1 1 1 1 1 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 t 1H J 22 | 78 78 ddd 1H J 11 20 77 | 76 76 ddd 1H J 12 22 77 | 73 73 t 1H J 77 | 67 66 d 1H J 101 | 61 61 d 1H J 55 | 52 51 td 1H J 25 81 | 51 50 td 1H J 26 78 | 45 45 dddd 1H J 27 56 82 101 | 43 42 dd 1H J 54 120 | 42 41 m 2H | 21 20 m 9H | 20 20 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nnc2n1-c1sc(CCc3ccc(OC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 | ir: 2 2 5 3 1 4 6 3 5 4 3 3 5 10 8 7 5 6 4 2 2 4 4 3 1 5 4 4 4 5 15 2 5 3 3 2 5 4 4 7 3 11 21 31 4 4 2 0 3 6 3 1 2 11 27 11 7 6 4 1 4 4 2 0 2 3 4 3 7 23 7 2 3 4 7 3 10 6 5 7 5 6 2 2 3 3 4 12 4 4 3 2 4 4 2 3 3 16 8 3 4 8 2 2 4 15 3 3 3 3 11 4 6 2 1 3 14 10 5 8 7 6 2 6 4 3 4 4 3 2 2 4 4 2 4 6 13 8 8 8 5 2 3 10 33 13 7 14 18 18 25 6 7 2 2 3 3 2 3 6 3 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 4 2 4 2 4 3 2 3 3 4 8 28 10 24 100 39 18 27 4 5 4 2 2 2 3 2 1 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 77 76 dd 1H J 17 70 | 75 74 dd 1H J 15 79 | 74 74 td 1H J 16 72 | 74 73 td 1H J 16 77 | 70 70 dt 2H J 9 83 | 69 68 m 2H | 67 66 t 1H J 8 | 52 52 s 2H | 47 46 hept 1H J 57 | 30 29 tt 2H J 8 66 | 29 28 m 2H | 26 25 s 2H | 13 13 d 6H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(-c4cc(F)ccc4O)c3O)nc2c1 | ir: 3 3 2 4 6 7 4 3 3 2 3 3 5 3 3 7 6 4 5 5 3 9 54 13 4 2 4 8 5 11 3 6 7 3 5 7 6 3 5 2 2 5 13 5 2 1 2 2 2 2 2 1 3 3 13 3 3 1 2 5 2 2 2 2 2 2 5 10 6 3 2 1 1 1 1 2 2 12 21 2 1 3 6 15 2 3 3 4 7 10 6 4 2 2 7 2 1 2 2 4 6 2 3 4 2 11 5 8 3 2 1 11 3 2 18 2 3 2 2 2 1 2 2 1 3 1 2 4 2 7 3 1 1 2 1 2 3 3 6 10 3 18 29 5 4 12 10 4 8 18 5 4 3 2 7 3 2 2 2 7 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 6 4 32 6 3 10 43 37 3 7 29 6 34 5 2 2 6 3 39 4 7 6 3 2 2 2 3 5 5 2 5 9 100 14 5 0 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 22 | 82 82 d 1H J 22 | 80 79 d 1H J 22 | 78 78 dd 1H J 21 72 | 76 75 d 1H J 71 | 72 71 ddd 1H J 26 93 103 | 71 71 s 1H | 71 70 dd 1H J 26 121 | 70 69 dd 1H J 47 93 | 70 70 s 1H | 53 53 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCc1ncc2c(n1)-c1cc(F)ccc1NC(=O)C2 | ir: 2 2 2 4 2 3 6 3 2 5 3 3 5 2 2 5 8 3 3 4 8 4 2 3 2 2 3 7 22 6 14 78 37 6 6 5 9 5 7 7 26 21 5 5 14 3 6 6 33 7 10 11 18 22 42 91 20 10 15 7 4 22 3 2 2 6 2 2 4 13 4 2 2 2 2 3 9 2 2 1 2 2 1 1 3 3 6 4 2 5 2 2 2 4 3 4 4 3 3 9 21 2 3 17 7 2 2 3 7 6 3 2 4 9 4 6 3 4 2 14 7 4 9 13 8 3 4 3 4 15 10 3 11 11 14 4 5 2 2 4 4 5 3 12 65 7 24 20 7 16 6 6 23 42 11 100 3 22 16 1 2 1 10 19 1 4 2 0 2 3 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 3 3 2 3 4 6 3 2 2 2 3 5 10 22 6 6 49 16 10 3 3 3 3 2 2 2 2 2 2 2 1 2 2 2 2 3 4 3 8 15 29 35 13 7 5 5 3 3 8 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 t 1H J 9 | 76 75 dd 1H J 46 80 | 74 73 dd 1H J 26 121 | 72 71 ddd 1H J 26 80 106 | 41 41 d 2H J 9 | 28 27 t 2H J 63 | 18 17 qt 2H J 63 84 | 11 10 t 3H J 83 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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