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C=CCC(C=O)C1c2ccccc2COc2ccccc21
ir: 1 3 2 4 9 7 3 8 8 11 9 4 1 4 6 5 4 3 4 3 2 5 9 6 6 17 6 14 8 10 7 3 7 5 2 3 3 4 11 13 28 81 60 51 29 7 4 2 2 6 5 4 4 5 4 7 4 1 3 4 4 3 8 2 7 7 18 10 14 15 18 23 25 9 13 8 12 8 5 3 4 2 7 7 6 9 10 8 3 13 56 15 12 4 3 6 3 2 3 3 4 8 8 10 19 21 19 12 15 6 5 4 6 5 7 8 16 5 4 6 6 6 3 5 4 5 3 3 2 4 2 3 6 4 9 6 19 37 32 27 9 5 18 21 10 11 8 9 10 35 58 85 63 8 9 2 5 4 6 6 17 6 3 1 1 2 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 5 2 3 4 3 9 5 8 3 13 12 19 10 16 32 35 50 92 100 37 49 34 8 8 8 19 7 5 4 3 1 0 1 1 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 96 96 ddt 1H J 9 18 73 | 73 73 ddq 1H J 9 18 75 | 73 72 m 4H | 72 71 m 2H | 69 69 dd 1H J 10 84 | 58 57 ddtd 1H J 17 78 106 158 | 52 51 m 2H | 51 50 ddt 1H J 13 24 159 | 49 49 m 1H | 42 41 dq 1H J 9 88 | 30 29 dqd 1H J 17 75 93 | 25 24 dtq 1H J 12 77 140 | 23 22 dtq 1H J 11 75 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(Cc1ccc(OC)cc1CN)C(=O)OC
ir: 7 9 11 7 5 3 7 7 5 4 2 8 4 9 2 3 4 5 2 2 4 2 6 12 6 5 0 2 2 2 2 9 5 2 2 2 1 1 23 2 2 2 1 2 3 1 1 4 3 2 5 6 4 11 25 18 8 20 24 19 63 26 4 8 34 11 37 14 26 29 100 53 19 4 2 11 9 3 3 5 7 2 3 2 5 5 3 4 5 16 2 5 18 5 25 12 10 18 23 6 3 8 5 4 2 2 2 3 10 6 20 7 5 10 6 6 7 12 13 11 27 13 10 16 10 20 21 13 10 12 18 37 36 58 56 25 11 6 6 2 5 6 5 13 65 12 4 4 3 5 12 5 2 4 16 1 1 1 1 0 1 1 13 2 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 3 7 5 7 5 3 5 4 8 6 30 11 18 23 36 5 3 4 3 1 1 2 5 9 9 10 10 32 34 44 21 25 9 5 11 29 62 7 7 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 70 70 dt 1H J 8 86 | 67 67 m 2H | 39 38 td 2H J 9 66 | 38 38 s 3H | 37 36 s 3H | 36 36 s 3H | 34 33 p 1H J 85 | 32 31 ddd 1H J 7 84 152 | 29 28 m 2H | 27 26 dd 1H J 86 166 | 15 14 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)Oc1cnn(C(C)C)c1
ir: 1 7 6 8 4 3 2 1 1 1 1 5 1 6 3 1 1 5 2 6 2 2 1 0 0 75 1 100 5 6 4 3 1 1 1 1 0 1 3 6 3 1 1 1 1 1 1 1 2 1 1 0 1 0 0 1 1 2 2 1 3 4 1 18 7 21 19 8 14 6 1 1 1 2 1 2 4 5 4 1 0 0 0 1 0 0 0 0 0 1 1 16 2 1 1 3 1 1 1 1 1 2 1 1 1 3 1 3 1 1 1 13 5 3 1 5 1 6 11 12 10 15 4 5 29 13 17 5 11 10 5 1 1 1 2 1 2 1 1 0 1 1 1 15 23 16 15 14 52 27 89 13 1 1 1 2 1 1 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 3 1 0 1 2 2 1 3 1 3 3 8 3 7 2 3 1 3 7 14 10 17 4 3 2 1 0 1 1 1 1 1 1 1 1 1 1 2 7 11 28 13 28 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 54 54 t 1H J 52 | 44 43 heptd 1H J 7 44 | 32 31 q 2H J 54 | 16 15 qt 2H J 55 73 | 14 13 d 6H J 44 | 9 8 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2CN(C(=O)CCl)CC(C1)N2
ir: 2 1 1 4 1 11 2 2 7 2 17 6 5 4 5 2 2 1 0 1 1 0 1 0 1 2 7 7 2 2 3 1 2 2 3 1 0 1 1 1 4 2 1 2 2 1 7 1 1 1 1 0 1 5 4 0 10 3 2 8 19 1 2 3 3 4 7 1 1 0 1 1 0 0 5 1 0 0 0 1 0 0 1 0 0 2 1 2 1 2 2 2 2 24 5 2 1 1 3 1 4 3 6 19 6 2 2 2 2 3 6 15 19 5 25 10 6 5 9 8 3 6 3 4 13 6 5 2 3 8 5 3 1 1 1 8 2 2 1 1 1 1 1 2 1 1 4 25 3 2 7 26 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 3 3 1 1 1 1 1 2 4 16 4 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 40 100 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 2H | 38 37 dd 2H J 35 115 | 37 36 dp 2H J 35 70 | 35 35 ddd 4H J 36 77 114 | 33 33 dd 2H J 35 117 | 21 21 t 1H J 73 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)c1nnc(-c2ccccc2Cl)n1C
ir: 9 4 3 5 10 16 4 4 4 24 10 4 4 5 6 3 4 3 11 7 12 5 4 5 3 4 3 2 2 3 3 5 3 2 5 3 3 11 6 5 5 6 69 100 8 0 2 4 3 1 2 3 2 2 3 4 3 2 2 2 4 3 3 5 4 2 4 5 2 2 4 6 6 7 8 4 3 3 3 2 7 3 6 48 34 4 5 10 6 2 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 8 4 3 2 3 13 4 29 12 9 7 4 11 8 7 19 11 10 29 7 4 4 4 7 28 41 5 12 5 5 25 18 17 8 2 5 3 2 4 3 13 14 34 25 5 4 2 3 3 3 2 2 3 2 5 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 5 4 8 3 2 2 3 3 2 3 3 4 5 5 13 20 15 19 12 22 4 5 7 4 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 78 m 1H | 75 75 m 1H | 75 74 m 2H | 42 42 q 2H J 60 | 39 38 s 3H | 15 15 s 5H | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2cc(N(C)CCO)ccc2c1
ir: 20 25 9 15 0 7 12 6 8 9 24 35 10 2 6 6 6 4 9 9 7 3 3 2 2 6 5 3 1 1 3 13 5 2 2 3 2 1 1 2 1 1 3 3 5 1 4 1 2 1 2 8 6 6 21 7 3 3 2 2 4 3 2 2 4 3 15 24 11 15 17 10 3 3 4 7 5 9 17 10 5 4 6 10 35 23 100 91 26 12 8 7 22 3 14 7 6 3 4 3 2 3 5 6 20 17 9 2 2 2 9 7 2 4 2 2 1 2 2 4 1 3 3 7 15 19 5 7 1 2 2 1 0 1 1 1 1 1 2 1 3 8 9 9 3 1 11 22 17 6 3 0 1 1 1 3 5 7 13 6 13 2 1 0 1 1 1 1 1 8 3 1 1 0 0 1 1 1 1 0 0 1 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 0 1 0 0 1 1 0 0 1 0 1 0 1 1 1 0 1 1 1 0 1 1 1 2 1 0 0 1 1 1 2 1 2 1 4 5 8 16 2 23 69 35 16 8 1 3 4 15 79 32 5 2 1 2 1 1 1 1 0 1 0 1 1 0 1 0 0 0 0 0 1 0 1 1 0 0 0 1 0 1 0 0 0 1 1 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 12 19 | 79 79 m 2H | 78 78 dd 1H J 22 78 | 71 71 td 1H J 7 19 | 68 68 dd 1H J 21 78 | 37 36 q 2H J 60 | 35 34 t 2H J 60 | 33 33 t 1H J 58 | 30 30 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)CCCn1c(=O)[nH]c2c(I)cccc2c1=O
ir: 6 13 7 7 9 2 3 3 1 3 3 5 8 2 3 2 2 2 2 2 1 2 2 2 19 7 3 2 2 7 4 2 1 2 2 8 2 8 6 1 2 4 6 3 2 5 57 6 4 7 2 16 8 8 4 1 2 5 2 4 4 7 2 1 2 3 2 2 5 5 6 2 3 2 2 1 2 3 2 1 2 3 2 1 4 4 33 22 5 3 6 3 7 3 2 2 38 3 2 3 5 2 1 3 7 11 12 9 10 4 2 3 2 4 3 5 6 8 9 9 7 10 5 12 22 9 3 2 3 2 3 2 2 1 1 2 3 5 11 4 4 2 2 4 2 1 1 2 2 2 2 1 3 11 5 14 1 5 9 9 3 39 8 3 2 0 1 3 2 0 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 2 2 3 3 3 3 4 4 2 3 3 4 5 13 15 16 29 6 5 3 1 2 3 2 1 2 2 1 1 2 3 1 0 2 3 1 1 3 5 0 0 100 1 3 2 1 2 2 2 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 98 98 s 1H | 79 79 dd 1H J 11 82 | 79 78 dd 1H J 11 79 | 69 69 t 1H J 81 | 39 39 t 2H J 74 | 32 31 t 2H J 105 | 30 30 s 2H | 22 21 tt 2H J 73 106
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1Cl
ir: 9 7 6 2 3 2 3 4 4 3 5 2 4 2 2 3 1 2 2 15 1 3 3 10 20 6 20 11 12 6 3 1 2 1 2 1 2 5 5 4 1 1 1 0 0 1 0 0 1 1 0 1 2 1 14 2 2 2 3 1 1 2 1 0 2 2 3 9 1 1 0 1 1 1 2 1 1 1 1 1 0 0 0 0 1 0 0 1 0 1 6 1 1 1 1 1 2 2 5 2 2 0 1 1 1 5 8 1 1 2 2 1 1 1 0 1 2 1 4 10 14 10 12 4 1 5 2 5 2 2 1 2 1 1 9 2 1 1 1 0 1 2 5 100 33 8 4 4 9 8 13 7 2 3 3 1 0 1 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 0 0 1 2 2 5 10 4 6 36 4 2 2 1 1 1 0 1 1 2 1 0 0 0 0 0 1 1 0 1 2 3 6 13 13 10 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 88 | 76 75 dt 1H J 9 19 | 73 72 ddt 1H J 9 20 88 | 59 59 t 1H J 56 | 45 44 dt 2H J 9 56 | 39 39 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
ir: 3 5 2 5 9 7 4 4 8 8 9 9 14 12 10 16 6 4 3 4 3 3 4 7 5 2 3 5 15 11 13 21 8 8 4 4 13 8 10 4 2 6 11 4 5 7 6 37 51 5 13 7 12 17 49 12 8 34 5 9 6 5 6 9 3 4 11 17 5 7 4 6 3 2 2 3 3 7 5 4 4 3 3 3 2 3 8 16 3 3 3 4 8 8 9 7 6 8 10 7 4 3 5 6 17 15 11 5 8 6 10 12 9 7 2 6 10 13 11 16 29 16 11 43 17 10 15 17 28 21 25 9 6 6 6 9 6 5 6 20 15 17 6 8 43 13 22 39 21 96 16 3 29 3 47 0 2 4 3 1 8 3 2 1 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 3 4 4 6 7 4 8 5 2 4 7 9 5 14 8 48 15 45 100 23 8 12 2 5 3 5 8 3 5 3 2 2 2 2 2 1 2 2 2 2 2 2 2 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 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 m 5H | 73 72 dt 1H J 16 79 | 72 72 m 2H | 49 49 dd 1H J 10 102 | 46 46 tq 1H J 16 64 | 35 34 m 1H | 27 26 ddd 1H J 59 85 145 | 25 24 m 1H | 23 22 dddd 1H J 44 59 86 133 | 20 19 ddddd 2H J 12 63 71 85 134 | 18 17 dqd 1H J 64 78 123 | 14 14 s 7H | 9 8 td 3H J 15 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1c(=O)n2nc(CCc3nc(Cc4ccccc4)no3)nc2c2[nH]cnc21
ir: 3 10 13 8 8 7 6 9 23 10 13 10 8 10 9 7 6 7 14 11 6 10 10 6 6 10 7 3 11 13 18 48 34 48 16 8 10 7 8 22 21 12 21 29 10 10 8 5 5 6 6 9 9 2 3 4 4 5 3 4 7 18 4 4 5 6 5 11 19 25 8 5 7 10 4 4 6 7 7 5 6 5 2 2 3 6 4 8 9 33 7 6 5 4 3 5 7 24 16 9 9 12 7 8 20 31 18 30 90 50 13 40 50 28 2 14 15 22 35 25 20 23 10 15 18 25 27 29 30 14 16 11 7 31 51 30 22 9 10 8 11 20 27 52 34 11 6 7 4 2 25 31 13 6 6 9 3 2 5 10 3 0 10 3 3 1 3 4 2 1 2 4 2 1 3 4 2 1 2 4 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 3 4 2 1 3 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 5 3 2 3 7 9 6 18 32 19 23 23 13 11 6 14 10 23 84 100 37 50 97 41 45 11 5 7 10 4 5 3 6 3 1 4 4 2 3 4 4 4 3 5 8 6 11 16 25 17 28 10 5 3 4 5 4 2 3 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 d 1H J 68 | 73 72 m 5H | 72 72 m 1H | 44 43 t 2H J 66 | 40 39 d 1H J 18 | 40 39 s 2H | 35 34 t 2H J 71 | 33 32 t 2H J 71 | 19 18 p 2H J 67 | 15 14 h 2H J 73 | 10 10 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cn1ccc2ccc(OCc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cc21
ir: 2 9 8 14 15 9 11 8 7 10 9 6 14 9 10 12 11 5 28 26 65 37 51 20 2 21 11 2 5 13 10 13 5 9 8 6 20 11 20 2 4 5 4 2 3 7 5 4 5 7 6 2 38 28 53 24 10 7 5 2 4 4 3 2 3 3 11 8 14 12 31 2 7 9 6 3 10 25 10 67 8 15 5 5 5 7 7 8 10 13 3 7 9 19 10 6 6 11 19 24 43 27 27 13 19 10 5 3 7 10 3 3 4 3 1 3 5 5 7 10 8 9 5 6 13 11 3 6 4 3 2 3 3 3 3 8 71 13 5 7 10 4 20 35 32 18 35 58 9 11 19 16 16 36 35 23 6 2 2 10 4 0 2 11 8 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 2 3 2 1 2 4 3 3 3 4 3 2 4 6 8 4 9 21 42 100 25 41 31 13 14 6 4 6 11 18 4 4 3 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 85 dq 1H J 7 15 | 80 79 m 2H | 77 76 m 2H | 76 75 m 1H | 73 73 m 3H | 71 71 d 1H J 19 | 69 68 dd 1H J 21 79 | 66 65 m 1H | 53 53 d 2H J 9 | 50 50 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C(/C(=O)OCC)c1csc(NC(C)=O)n1
ir: 12 10 9 8 16 12 17 17 9 15 8 11 8 10 7 11 6 12 10 12 9 11 10 12 13 11 13 6 7 12 7 6 3 6 10 6 6 9 7 15 8 6 4 7 5 6 8 16 9 26 18 6 29 15 16 10 9 23 15 5 14 5 13 19 23 10 10 19 27 19 30 9 23 24 40 16 9 14 21 8 12 8 11 8 11 15 4 5 6 4 1 2 6 8 3 10 17 12 11 18 21 13 17 14 22 35 95 36 100 37 28 22 31 18 16 12 31 27 14 24 25 31 44 41 40 63 64 24 40 38 30 26 25 18 24 12 14 22 14 27 35 36 36 29 31 33 42 34 25 29 13 6 6 6 4 4 6 6 5 3 3 1 2 3 3 1 4 5 78 6 2 4 2 0 6 5 4 6 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 2 1 1 0 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 3 1 1 1 2 1 1 2 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 2 3 2 2 1 2 2 1 2 3 3 4 3 4 4 9 7 9 13 11 9 9 12 10 15 26 19 24 26 31 26 34 44 42 36 37 51 83 80 50 28 46 41 15 30 18 45 16 23 11 10 7 7 8 7 3 11 3 8 9 12 18 14 16 22 19 25 11 12 10 4 3 5 4 2 6 3 2 2 2 3 1 1 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 71 70 q 1H J 64 | 70 70 s 1H | 43 42 q 2H J 71 | 22 22 s 3H | 21 20 d 3H J 64 | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCCC(C)=CCSc1ccccc1C
ir: 1 1 3 6 13 4 5 3 3 1 1 2 2 8 2 3 2 2 1 1 1 1 1 1 1 2 5 1 0 1 1 0 1 1 1 1 1 3 4 4 15 100 99 41 8 2 3 5 4 0 3 4 2 1 3 3 1 2 2 4 10 6 6 6 11 10 12 15 12 12 8 7 4 14 44 11 3 3 3 4 2 2 3 3 0 5 6 3 3 26 28 9 0 2 3 2 5 10 5 8 4 2 2 2 2 6 3 5 1 5 7 7 8 4 6 5 16 14 36 11 9 6 10 8 4 4 5 1 1 6 3 4 5 5 6 11 53 29 4 20 32 4 1 1 1 1 2 9 16 3 2 1 1 1 2 0 3 16 18 7 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 3 5 3 5 5 8 5 2 5 8 8 0 14 53 27 57 67 68 93 13 3 6 4 5 2 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 73 73 m 1H | 73 72 m 2H | 72 71 dd 1H J 17 69 | 55 54 th 1H J 13 52 | 51 50 tqd 1H J 14 27 81 | 35 34 dp 2H J 9 49 | 24 23 d 3H J 7 | 22 21 m 1H | 21 20 m 3H | 17 17 q 3H J 10 | 17 16 hept 3H J 12 | 16 16 dq 3H J 12 24
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OCCCCCCCCCO)cc1
ir: 0 1 1 0 0 0 0 0 1 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 2 1 1 1 0 1 1 1 0 0 1 1 1 0 4 1 6 6 3 1 1 1 1 2 3 3 2 1 2 1 1 4 1 2 1 1 0 0 0 0 0 1 0 1 0 0 1 5 7 9 16 17 8 2 4 4 3 2 1 1 1 1 1 0 1 1 2 4 4 2 0 1 1 1 0 1 1 1 1 1 5 3 3 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 10 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 4 3 3 2 1 2 2 1 2 3 3 3 3 7 9 8 9 3 4 6 15 28 100 19 7 5 2 1 1 1 1 0 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 d 4H J 7 | 40 40 m 2H | 38 38 s 2H | 36 35 q 2H J 58 | 27 27 t 1H J 59 | 18 17 tt 2H J 63 75 | 16 15 m 2H | 15 14 p 2H J 73 | 14 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(OCCCBr)cc1
ir: 1 1 3 2 2 1 2 4 1 1 1 1 1 2 2 2 3 5 5 6 8 8 12 10 10 3 3 1 0 3 3 2 7 3 13 20 5 5 2 4 3 2 1 2 2 1 3 6 2 2 7 5 7 66 24 36 33 5 2 2 3 3 2 1 4 4 5 6 13 14 12 10 3 2 2 4 2 2 2 1 1 1 0 0 1 1 2 2 8 5 2 1 1 2 3 4 2 1 1 1 1 1 1 2 4 5 4 5 10 9 9 4 2 6 4 4 6 6 12 5 6 3 1 12 32 24 58 19 4 2 2 1 2 1 1 1 2 2 2 5 9 11 10 10 4 3 1 3 7 19 29 16 15 3 3 4 2 1 1 1 1 1 7 24 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 3 2 1 2 5 4 2 4 2 2 5 5 7 13 23 25 54 100 22 16 8 7 3 4 2 3 3 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 m 2H | 70 70 m 2H | 41 41 t 2H J 54 | 36 36 t 2H J 50 | 26 26 s 2H | 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.
Cc1cc(Cl)ccc1NC(=O)NCCCl
ir: 2 1 0 1 3 3 1 1 1 1 0 1 1 1 0 1 1 1 1 3 3 1 1 2 3 2 1 2 1 1 1 2 2 1 1 2 3 3 2 4 13 18 8 4 3 3 2 3 1 0 1 2 3 3 6 9 4 3 1 2 1 0 1 3 2 1 2 2 1 1 2 3 1 0 1 1 1 0 1 1 1 0 2 2 2 2 1 1 0 0 1 1 0 1 1 1 1 3 4 2 1 1 5 3 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 1 2 2 1 1 3 3 1 1 1 2 1 0 1 1 1 3 3 2 1 0 1 1 1 3 3 2 4 7 20 100 30 13 50 47 2 1 2 2 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 3 3 3 1 5 9 5 2 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 2 3 4 6 12 47 21 2 4 4 2 2 2 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 t 1H J 48 | 77 77 s 1H | 74 74 d 1H J 79 | 72 72 dd 1H J 22 79 | 71 71 m 1H | 37 36 t 2H J 21 | 36 36 dt 2H J 22 45 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H](O)CNc1ccc2c(c1)CC(=O)N2CCF
ir: 9 8 30 11 6 5 5 10 29 9 19 15 7 3 3 5 4 2 2 2 1 3 3 2 4 5 9 5 10 7 19 10 5 2 3 4 2 4 2 0 0 1 1 1 1 2 1 1 1 1 1 0 1 3 21 11 1 0 1 1 1 2 2 2 2 3 1 6 3 3 7 3 1 1 1 0 0 1 0 0 0 1 0 0 2 6 1 3 19 22 3 2 2 1 2 2 1 1 2 2 1 2 11 2 2 10 6 3 7 2 2 3 2 1 1 1 4 2 2 3 6 5 1 3 4 4 4 6 5 7 4 4 3 1 2 2 1 1 1 4 4 1 1 6 7 18 16 5 3 51 4 2 7 36 22 2 1 2 1 0 0 1 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 1 0 0 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 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 1 1 0 1 2 2 5 5 4 6 11 2 4 1 1 1 1 3 100 20 2 1 1 1 1 0 1 0 1 1 2 1 3 6 22 47 15 5 1 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 d 1H J 89 | 69 69 dt 1H J 9 20 | 67 66 dd 1H J 22 88 | 56 56 t 1H J 67 | 54 54 t 1H J 65 | 48 47 t 1H J 49 | 47 46 m 2H | 42 41 dp 1H J 43 52 | 40 40 t 1H J 50 | 40 39 t 1H J 49 | 35 34 m 4H | 33 31 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.
Cc1cc(NC2(C#N)CCCC2)cc(C)c1Br
ir: 12 8 3 4 4 7 7 15 44 47 36 13 15 7 3 6 6 5 5 10 16 14 22 10 10 4 5 8 6 4 3 5 5 2 4 5 4 5 2 4 4 1 3 6 9 4 2 4 4 1 2 4 2 2 3 6 4 3 3 5 3 14 7 7 10 14 8 5 7 6 6 37 12 0 4 6 2 1 4 4 2 1 4 6 6 3 6 7 9 3 4 4 3 3 5 6 6 7 25 12 2 3 5 3 3 9 24 39 15 16 16 10 18 6 14 8 5 7 5 3 2 6 4 13 7 12 9 7 5 10 6 4 1 4 4 3 3 7 5 8 25 65 26 16 19 13 6 4 2 3 3 1 1 4 3 1 13 9 4 1 2 3 22 34 4 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 10 3 2 1 2 3 1 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 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 4 2 4 5 4 4 3 7 11 5 4 5 5 5 7 14 18 8 7 10 37 11 5 6 4 1 3 6 3 1 3 4 2 2 3 4 3 4 5 5 5 25 52 100 42 43 13 8 4 2 4 4 2 2 4 3 2 3 4 3 1 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 65 64 s 2H | 58 58 s 1H | 23 23 s 6H | 22 22 m 2H | 20 18 m 4H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(=O)n(C)c2c1C(=O)CCC2
ir: 9 15 25 16 9 14 21 20 15 17 19 12 12 20 22 18 12 16 18 13 11 20 26 19 22 20 16 10 11 17 21 11 12 20 20 10 12 25 27 19 13 17 15 12 16 19 18 21 26 17 18 17 20 61 24 8 16 20 13 22 14 19 13 9 17 34 46 58 38 34 16 17 18 18 13 9 16 17 11 10 15 18 19 12 16 16 10 10 16 16 10 12 18 15 9 11 17 16 11 16 25 19 12 13 21 21 17 13 21 15 18 25 30 22 10 19 21 30 16 21 26 32 22 25 30 18 11 17 20 14 11 19 21 13 10 17 18 14 14 25 28 14 25 24 18 9 13 32 27 11 11 17 15 16 29 28 15 7 11 22 16 0 31 100 13 18 14 13 13 11 13 15 13 11 13 16 13 11 13 16 12 10 13 16 12 10 14 15 12 10 14 15 11 10 14 15 11 11 15 15 11 11 15 14 10 11 15 14 10 11 15 14 10 12 16 14 10 12 16 13 9 12 16 13 9 12 17 13 9 13 16 13 9 13 16 12 9 13 16 12 10 14 16 12 10 14 15 11 10 14 15 11 11 15 15 11 11 15 15 11 11 15 14 11 12 16 14 11 12 16 15 10 12 17 20 15 22 18 16 11 14 19 17 68 43 24 20 14 30 48 36 19 17 18 13 10 14 16 12 10 14 15 12 10 14 15 11 10 14 15 11 11 14 15 11 11 15 14 11 11 15 14 10 12 15 14 10 12 15 14 10 12 16 13 10 12 16 13 10 13 16 13 9 13 16 13 10 13 16 12 10 13 15 12 10 13 15 12 10 14 15 12 11 14 15 11 11 14 14 11 11 14 14 11 11 15 14 11 12 15 14 11 12 15 14 10 12 15 13 10 12 15 13 10 12 15 13 10 13 16; 1HNMR: 65 65 t 1H J 13 | 35 35 s 2H | 30 30 m 2H | 29 28 qd 2H J 13 80 | 28 27 m 2H | 18 17 m 2H | 12 11 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1
ir: 4 14 5 5 3 5 7 6 0 8 21 8 11 13 12 7 12 24 6 5 18 6 6 5 4 5 4 4 11 4 4 4 5 10 6 4 4 5 4 10 10 8 12 4 4 6 6 13 5 5 4 3 5 11 34 20 6 6 5 9 5 7 6 51 16 5 35 16 9 12 5 5 13 36 6 5 5 5 5 4 15 31 100 9 10 18 28 29 38 9 3 6 31 14 5 6 11 32 23 76 11 6 4 5 5 5 3 5 6 7 7 5 7 4 9 6 6 5 3 5 11 7 7 27 6 13 5 6 5 5 4 15 5 7 4 5 5 4 4 5 8 12 4 5 6 33 5 5 18 24 5 5 6 5 6 4 4 3 4 6 4 4 6 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 37 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 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 4 4 4 3 4 4 4 3 4 5 4 4 4 5 4 4 4 5 4 4 4 5 6 9 10 29 10 24 22 8 7 5 4 5 5 4 4 5 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 82 82 dd 1H J 21 32 | 79 79 ddd 1H J 22 36 95 | 74 74 dd 1H J 94 102 | 73 72 ddq 1H J 9 29 121 | 70 70 ddd 1H J 30 83 101 | 69 68 dd 1H J 46 83 | 38 36 m 4H | 36 35 m 2H | 35 34 ddd 1H J 43 69 121 | 13 12 d 3H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)C(C)=C(C)C2SCC(=O)Nc2ccc(C)cn2)cc1
ir: 5 4 5 5 3 4 6 5 2 18 3 3 3 3 3 7 3 3 4 4 5 3 3 2 3 3 3 3 2 4 3 4 4 8 10 12 30 19 21 6 34 17 27 8 3 4 14 21 10 11 7 5 13 27 13 39 17 7 7 5 6 4 6 8 4 6 5 4 3 13 11 2 2 3 2 3 3 4 4 2 2 2 3 2 2 2 2 12 7 5 5 8 11 5 4 4 5 9 24 7 4 2 2 2 2 3 3 4 3 3 3 3 5 5 3 6 12 15 8 8 10 8 5 7 5 3 6 5 3 3 3 4 4 3 2 3 6 3 3 2 3 3 2 5 8 5 5 12 91 15 9 16 15 10 4 0 77 1 3 4 11 7 4 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 3 5 4 4 4 4 3 4 4 7 15 28 11 15 50 19 9 7 5 3 4 3 2 2 3 2 2 2 2 2 2 2 4 3 2 3 3 8 12 100 10 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 94 94 s 1H | 81 80 m 1H | 77 76 m 1H | 73 73 d 1H J 78 | 72 72 dt 2H J 9 86 | 68 68 m 2H | 54 53 hept 1H J 11 | 50 49 dt 1H J 10 131 | 47 46 dt 1H J 9 130 | 38 38 s 3H | 38 37 d 1H J 165 | 37 36 d 1H J 165 | 23 23 d 3H J 9 | 19 19 p 3H J 11 | 19 18 p 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(-c2cn[nH]c2)c2cc(OC)c(OC)cc2c1=O
ir: 16 11 14 18 8 18 22 11 6 5 6 3 1 3 4 2 2 4 4 4 3 7 12 9 3 3 7 3 4 5 3 7 11 10 14 26 19 7 7 3 2 11 8 0 9 37 72 17 10 15 15 33 20 30 8 7 7 11 5 9 26 25 10 6 15 26 26 71 100 5 16 17 8 5 11 12 5 2 3 2 6 7 3 4 6 20 19 3 4 2 2 3 3 3 4 18 33 25 7 4 3 7 4 6 27 28 11 4 8 4 8 5 5 7 8 4 7 7 10 20 10 8 14 22 14 65 53 18 7 7 4 4 4 3 4 7 12 10 5 14 31 14 6 3 3 27 8 4 3 4 11 16 39 18 26 24 47 13 5 5 4 2 3 3 9 11 12 25 5 3 3 4 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 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 7 3 2 3 3 2 2 3 6 4 3 4 10 6 25 46 40 17 92 76 15 5 6 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 81 74 12 3 2 2 2 2 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 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 1 2 1 1 1 2 2 1 1 2; 1HNMR: 80 80 d 1H J 18 | 80 79 dd 1H J 16 33 | 79 78 t 1H J 9 | 75 75 s 1H | 71 71 s 1H | 42 42 qd 2H J 9 80 | 39 39 s 6H | 13 13 t 4H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1
ir: 12 11 7 2 3 1 0 1 3 3 5 5 3 2 2 3 3 4 6 8 16 12 6 5 6 13 29 6 11 4 1 6 5 4 10 9 5 4 17 9 5 6 12 4 2 3 6 4 5 14 8 17 14 59 18 7 4 2 3 3 1 1 2 5 8 9 9 39 15 5 7 3 2 2 1 2 1 1 1 3 8 1 1 1 2 1 0 0 1 4 3 4 1 1 5 4 9 5 3 2 5 7 4 6 12 13 18 34 16 7 27 4 1 1 3 6 3 4 3 6 3 6 6 27 13 7 6 4 3 3 3 2 0 1 2 0 1 2 2 1 1 27 14 11 44 24 100 52 20 15 4 2 10 27 36 4 3 1 1 1 1 10 17 15 2 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 2 4 4 2 2 1 3 5 5 7 15 12 29 51 41 16 15 8 6 3 4 2 1 2 5 2 3 1 1 1 1 2 4 10 15 22 19 25 46 68 26 6 2 2 1 0 1 0 0 0 0 0 2 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; 1HNMR: 99 98 s 1H | 82 82 d 1H J 66 | 78 78 d 1H J 22 | 75 74 d 1H J 25 | 73 73 d 1H J 72 | 72 72 d 1H J 28 | 72 71 m 1H | 70 70 dd 1H J 28 72 | 37 37 s 3H | 35 35 s 2H | 33 32 m 1H | 22 21 s 3H | 15 15 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCC=O
ir: 10 9 5 5 1 2 2 3 1 1 2 2 4 2 3 4 8 4 2 3 3 7 6 3 3 2 3 1 1 0 1 1 1 1 3 2 3 12 16 12 6 8 6 6 2 2 1 2 2 2 2 1 1 1 2 1 2 1 3 4 6 2 2 3 2 7 8 12 5 7 4 5 7 2 3 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 5 2 6 3 2 1 3 3 3 4 4 11 23 13 37 33 21 61 18 7 7 6 9 11 20 12 16 34 28 12 10 7 8 5 2 3 3 4 2 1 2 2 1 1 2 2 2 2 1 1 0 1 2 8 3 3 36 21 20 7 4 3 2 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0 0 1 0 1 1 0 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 2 2 4 4 8 7 25 33 9 11 11 6 2 8 9 9 36 100 21 13 12 4 1 2 3 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 97 tt 1H J 10 55 | 25 24 td 2H J 55 87 | 17 16 ttd 2H J 9 73 85 | 14 13 m 2H | 13 13 m 2H | 13 12 m 18H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cccc(OCCF)c1
ir: 2 5 7 12 3 12 6 4 3 4 5 3 2 4 6 4 2 4 5 3 2 5 6 5 2 6 10 19 7 8 7 5 5 5 4 3 3 5 5 15 9 6 5 0 31 56 100 33 5 5 4 4 4 4 4 5 5 24 16 22 9 12 5 13 7 6 66 28 20 11 10 10 6 6 4 8 5 8 5 8 9 8 4 3 4 4 3 3 5 11 7 7 5 5 3 3 5 4 3 3 13 10 3 5 28 43 3 4 5 4 2 7 5 4 2 3 5 4 3 4 8 7 4 5 4 3 7 10 15 7 3 4 4 3 3 4 5 6 20 20 13 4 3 6 6 3 5 24 41 39 9 6 20 23 4 4 4 9 11 5 4 17 9 6 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 8 5 4 5 5 3 4 4 4 3 4 5 7 16 8 19 43 50 71 22 4 2 5 7 5 4 4 5 5 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 100 99 s 1H | 77 76 dt 1H J 23 77 | 74 74 t 1H J 77 | 73 73 dd 1H J 18 26 | 70 69 dt 1H J 26 77 | 48 48 t 1H J 35 | 47 47 t 1H J 35 | 43 43 t 1H J 35 | 43 42 t 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(CC(F)(F)F)c(Br)cc1F
ir: 8 5 0 4 5 2 0 7 24 2 1 7 13 2 1 2 2 1 2 3 6 3 6 2 3 5 3 4 3 2 3 4 6 22 3 8 4 11 5 9 5 1 4 2 2 1 1 3 2 1 2 3 2 0 1 3 1 0 2 3 2 0 2 5 2 6 30 29 52 18 14 12 4 2 7 7 2 1 2 3 3 14 38 100 16 5 4 3 6 16 9 10 15 5 4 3 5 48 11 2 7 76 15 6 64 7 3 1 1 1 3 4 2 1 3 2 0 2 3 30 1 12 5 2 1 2 2 1 1 7 8 3 1 2 2 1 1 2 4 43 16 4 2 2 1 2 1 6 1 4 16 39 10 7 3 1 2 2 2 1 1 7 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 3 8 6 2 3 3 2 0 3 9 15 2 39 77 21 11 2 2 2 5 4 38 32 3 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 72 71 d 1H J 121 | 68 68 dt 1H J 9 42 | 58 58 d 1H J 35 | 35 34 qd 2H J 9 101
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(Cc1ccccc1)c1ccccc1
ir: 2 2 0 1 2 1 1 10 6 3 0 2 3 2 0 1 2 1 0 2 4 1 0 2 2 1 1 2 3 2 4 34 14 3 2 3 2 1 1 30 39 29 10 16 2 2 1 1 1 1 1 1 1 1 1 2 2 0 1 2 1 1 2 2 1 4 6 2 16 6 3 3 2 0 1 2 3 2 17 4 1 1 2 2 1 1 1 2 2 23 7 2 1 1 2 1 2 6 3 3 0 1 2 2 1 4 4 2 1 1 2 1 0 1 2 1 1 2 4 2 1 4 2 1 1 2 2 1 2 2 2 2 2 1 3 44 1 2 2 1 1 2 16 35 17 6 4 3 1 2 1 9 10 3 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 16 5 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 1 2 5 3 0 2 3 4 5 6 8 8 15 16 100 37 11 3 2 2 4 4 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 2H | 73 72 m 8H | 42 42 m 1H | 33 32 ddt 1H J 8 65 134 | 30 29 ddt 1H J 10 66 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOc1ccc(C(=O)O)cc1C(F)(F)F
ir: 2 2 1 1 1 3 2 3 6 5 3 2 6 4 26 5 4 8 5 5 23 86 100 16 0 3 4 1 1 2 4 2 1 2 3 4 6 6 2 5 3 3 2 1 2 2 1 1 1 2 1 1 2 3 17 8 2 2 1 0 1 2 1 1 2 3 2 1 4 4 2 1 2 2 4 7 21 8 18 26 15 1 2 1 1 3 3 5 5 3 3 7 2 2 1 2 1 8 2 14 4 4 2 1 1 2 3 7 16 12 7 3 3 3 1 2 5 8 10 6 4 2 3 12 11 8 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 7 4 22 2 1 1 5 4 3 2 1 1 3 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 1 2 1 1 1 2 2 3 11 4 8 8 7 2 1 1 1 1 1 1 8 32 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dq 1H J 13 25 | 79 78 dd 1H J 22 75 | 70 70 d 1H J 76 | 40 39 t 2H J 61 | 18 18 tt 2H J 61 74 | 15 14 dq 2H J 70 78 | 14 12 m 6H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CCC(=O)CO)cc1
ir: 1 1 1 2 2 2 2 2 1 1 4 5 3 5 8 9 4 3 2 1 1 1 1 1 0 1 2 2 3 1 1 1 0 1 1 1 0 1 1 0 2 2 1 1 1 1 1 1 1 1 1 1 2 4 4 4 11 2 1 2 0 1 1 1 1 1 1 0 1 4 2 1 2 1 1 1 1 1 8 0 1 1 1 1 2 6 2 6 13 20 11 14 7 4 3 2 2 1 2 3 2 1 0 0 1 0 0 0 1 0 2 6 13 5 4 2 9 6 3 3 3 2 1 1 3 2 2 0 3 1 0 1 1 0 1 3 1 1 1 3 7 10 6 18 8 2 0 1 1 2 2 8 2 0 0 0 0 0 0 1 1 0 2 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 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 8 6 3 6 16 6 3 2 8 7 15 79 100 41 26 10 3 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 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; 1HNMR: 79 79 m 2H | 72 72 dt 2H J 9 83 | 44 43 q 2H J 64 | 42 42 d 2H J 59 | 33 32 t 1H J 59 | 29 28 tq 2H J 9 80 | 28 27 m 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(C(C)=O)C(=O)OC(C)(C)C
ir: 9 8 14 4 3 2 2 5 2 12 8 7 10 3 1 3 3 4 11 5 3 1 1 4 19 7 2 0 1 1 1 1 0 1 1 1 2 2 5 3 1 0 1 1 2 5 4 1 1 1 1 1 0 1 3 10 5 3 1 1 5 5 5 6 4 3 8 11 5 12 9 5 2 2 3 4 5 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 2 3 4 10 10 5 2 19 2 2 3 1 2 1 2 2 3 2 5 12 13 13 7 4 16 21 45 18 5 28 38 9 8 9 12 2 2 1 2 1 3 4 2 6 16 11 21 75 76 100 31 3 0 0 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 2 4 5 1 2 2 2 1 4 7 11 6 11 16 20 33 13 5 5 4 2 2 2 2 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 64 64 q 1H J 15 | 23 22 d 4H J 14 | 22 21 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(CO)ccc1C
ir: 4 3 5 4 2 2 6 22 2 2 5 5 2 1 2 1 1 3 2 1 1 2 2 1 0 1 1 0 0 1 1 0 0 2 2 2 2 2 2 0 1 1 1 0 0 1 1 0 1 3 3 5 7 2 2 1 1 1 1 0 1 2 2 1 1 1 1 1 2 5 2 2 1 2 1 1 2 2 1 1 3 3 3 6 13 11 21 20 12 6 4 4 3 4 2 5 21 12 3 1 1 2 1 1 1 1 2 4 3 2 0 1 1 1 0 1 2 2 1 3 2 2 5 3 1 1 1 1 1 1 1 2 2 1 1 2 3 1 1 1 1 1 1 1 1 1 2 7 7 5 2 6 4 1 4 4 1 0 1 1 1 1 1 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 1 2 2 5 7 6 3 5 2 4 6 3 12 23 8 7 4 3 5 7 9 100 44 5 2 6 3 2 2 2 2 1 1 2 2 1 1 4 3 5 4 2 3 2 2 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 78 dq 1H J 9 18 | 72 72 m 2H | 47 47 dd 2H J 9 57 | 39 39 s 2H | 25 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)C1(N=C(c2ccccc2)c2ccccc2)CC2CCC(C1)O2
ir: 3 3 10 3 2 3 2 6 5 3 3 2 5 10 3 2 1 1 3 15 8 1 3 3 0 5 6 3 3 8 10 8 3 12 3 2 3 9 6 18 60 22 10 2 1 3 3 1 1 2 1 0 0 1 1 0 1 3 1 2 3 1 1 2 2 2 6 3 5 14 4 2 2 2 1 1 2 5 11 10 8 2 1 1 2 5 1 0 3 6 2 3 2 3 1 1 2 9 6 2 5 2 1 1 1 4 2 2 3 2 2 1 2 1 1 2 1 9 9 8 11 4 4 5 12 16 4 5 3 6 6 3 5 2 10 36 3 2 2 2 26 28 14 12 8 31 15 3 3 1 1 5 4 1 1 1 1 0 0 0 4 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 2 2 6 3 3 1 0 1 4 6 2 15 23 17 100 57 15 7 7 2 0 2 2 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 9H | 74 73 m 6H | 52 51 s 2H | 43 42 dtt 2H J 15 29 42 | 25 24 dd 2H J 43 133 | 23 22 dd 2H J 42 132 | 20 19 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc(C=O)sc1C(F)(F)F
ir: 1 2 1 3 3 2 4 8 4 3 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 7 3 16 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 8 5 9 10 53 10 14 13 6 3 0 1 2 2 2 3 2 1 2 2 1 1 0 0 1 1 0 0 1 1 1 1 3 3 22 27 100 27 17 36 6 8 8 11 17 7 10 4 5 3 1 8 3 36 8 8 4 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 3 8 4 3 27 9 7 3 2 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 8 4 4 1 3 8 5 8 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 73 73 d 1H J 10 | 27 26 dd 2H J 8 60 | 20 18 dddd 1H J 60 69 129 137 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)C=NC(C)(C)CN3)oc2ccccc12
ir: 3 3 6 9 9 6 7 11 13 9 10 5 4 5 5 11 5 4 1 3 1 3 1 4 2 2 1 3 3 2 5 1 6 4 4 10 15 100 28 5 6 14 16 2 14 7 2 4 6 2 2 1 2 4 6 3 1 0 1 1 1 1 2 1 6 13 8 4 11 2 1 1 1 1 2 2 1 3 5 14 5 1 1 4 1 1 1 1 2 4 10 2 1 1 2 2 2 1 1 5 1 2 2 9 4 3 3 1 1 1 2 1 1 8 6 3 4 4 8 18 8 6 5 7 5 2 1 2 2 6 12 3 2 1 1 3 12 55 10 2 7 11 21 45 9 8 10 15 21 41 31 3 2 4 3 2 39 1 1 1 8 3 1 0 0 0 1 6 6 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 1 0 1 1 1 1 1 1 2 2 2 24 24 11 14 30 12 9 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 2 3 11 4 6 7 41 82 11 10 3 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; 1HNMR: 84 83 dd 2H J 17 127 | 83 83 s 1H | 77 76 m 2H | 74 73 m 2H | 73 72 m 1H | 67 66 d 1H J 159 | 64 64 t 1H J 50 | 45 44 s 2H | 37 36 d 2H J 49 | 31 30 s 3H | 23 22 s 3H | 12 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccsc1C1(O)c2ccccc2-c2ccccc21
ir: 14 17 12 14 13 14 14 13 14 14 14 12 13 12 12 12 15 15 13 15 16 13 12 12 12 13 14 20 12 13 13 11 17 18 43 12 12 16 17 0 21 78 78 65 36 17 12 16 15 10 12 15 13 10 13 26 14 14 14 15 12 10 12 14 12 11 12 18 13 12 15 19 46 49 19 54 14 17 24 17 31 17 21 27 63 20 14 16 12 12 18 13 14 13 15 21 17 18 25 18 13 13 21 35 24 14 13 13 12 14 15 30 27 15 14 14 14 19 23 16 14 12 13 12 12 12 13 12 12 13 25 21 32 19 20 32 25 31 13 21 22 61 15 11 12 13 14 22 13 22 16 14 18 15 14 15 12 13 12 13 12 13 12 11 11 12 12 11 12 13 12 11 12 12 12 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 12 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 12 11 12 12 12 12 12 12 11 12 12 13 14 13 12 13 12 12 14 15 16 14 13 13 13 13 14 14 14 16 15 18 20 43 29 78 54 76 22 18 13 20 93 100 14 14 15 11 10 12 13 11 11 12 13 11 11 12 13 11 11 12 12 13 13 13 14 11 11 12 12 12 12 14 13 11 11 12 12 11 12 12 12 11 11 12 11 11 11 12 11 11 11 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 11 11 11 12 11 11; 1HNMR: 77 76 m 2H | 74 73 m 4H | 73 73 m 3H | 69 68 dt 1H J 9 42 | 42 42 s 1H | 27 27 td 2H J 8 55 | 17 16 qt 2H J 55 75 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(CO)c2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2
ir: 2 4 0 4 6 4 2 2 1 2 1 4 10 8 5 2 2 1 5 2 1 0 4 0 3 0 2 1 2 2 3 2 8 2 2 2 4 1 1 1 11 3 5 2 3 1 1 1 3 0 0 1 1 1 1 1 0 1 2 1 2 2 2 1 4 4 2 5 6 3 0 1 2 1 1 1 5 7 2 2 1 1 2 2 2 10 39 34 2 3 4 4 1 3 4 1 1 1 2 1 1 2 2 1 1 1 1 1 3 9 0 1 1 1 2 2 2 2 8 4 10 4 1 2 2 2 2 3 4 8 8 3 2 3 20 5 3 1 1 1 1 4 12 2 12 3 1 0 1 1 1 0 0 0 0 2 1 4 1 0 2 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 0 0 1 0 0 1 1 0 3 2 1 1 1 1 2 3 1 2 1 2 2 4 12 5 5 20 9 10 2 1 2 3 4 100 25 4 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 6H | 49 48 d 2H J 59 | 39 39 s 3H | 38 37 t 1H J 59 | 32 32 s 2H | 30 30 s 2H | 15 14 s 6H | 13 12 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=NO)ccc1C(=O)NCC(F)(F)F
ir: 2 4 13 16 13 16 6 8 7 6 8 9 7 4 3 2 3 2 1 3 5 8 3 3 10 6 4 2 3 7 8 15 13 5 3 7 5 3 6 4 6 6 7 5 3 2 3 6 3 3 1 1 1 2 3 4 2 1 1 1 1 1 1 2 2 3 2 2 2 2 2 1 2 1 4 40 17 6 5 2 2 1 2 1 2 2 3 3 3 1 5 4 2 2 2 1 2 1 1 4 5 4 4 3 7 4 1 2 3 2 0 7 2 1 2 2 2 2 3 2 2 2 6 6 11 5 7 5 2 3 1 2 2 1 2 2 2 3 8 3 10 33 8 9 15 4 7 12 7 12 5 4 4 6 4 2 4 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 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 2 2 1 2 2 1 1 1 3 2 1 7 13 14 12 7 6 3 1 2 8 35 100 62 5 4 5 1 0 2 2 2 2 3 3 3 4 7 19 20 8 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 92 91 s 1H | 82 82 s 1H | 79 78 d 1H J 75 | 76 75 d 1H J 18 | 75 75 dd 1H J 22 75 | 74 74 tq 1H J 24 55 | 41 40 qd 2H J 55 130 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(Oc2nc(Br)cs2)cc1
ir: 1 1 1 1 1 1 1 2 1 1 3 2 1 2 0 2 2 1 1 2 2 1 1 1 1 0 0 1 1 2 19 2 1 1 1 2 2 3 7 3 2 3 2 4 2 7 1 3 2 1 2 1 3 9 25 45 5 5 3 4 2 3 2 1 2 1 2 1 1 11 1 2 3 2 3 6 11 10 4 8 8 3 2 1 1 2 4 3 10 3 1 2 2 1 1 2 3 3 2 2 10 41 8 3 4 9 4 3 3 4 2 1 0 2 4 5 1 4 10 6 2 2 3 1 1 4 8 13 44 23 9 5 3 1 1 1 1 1 1 1 1 2 1 1 1 2 2 7 44 6 11 6 7 3 1 2 1 1 1 0 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 1 0 1 1 1 1 1 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 4 2 1 1 2 2 1 2 4 2 3 3 3 14 18 12 14 100 37 15 6 2 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 s 1H | 72 71 m 2H | 69 68 m 2H | 47 46 p 1H J 57 | 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.
COC1(N(Cl)c2ccccc2F)NC=Nc2cc(OCCOCCBr)ccc21
ir: 4 4 9 3 5 10 10 10 5 4 3 7 30 15 24 24 10 19 8 8 20 12 11 9 6 2 4 17 11 6 4 4 6 4 5 5 6 2 3 5 8 39 76 31 6 3 5 4 3 7 8 6 3 2 4 18 11 5 10 5 5 1 10 3 4 6 17 21 33 5 7 4 4 11 7 5 2 3 8 3 1 1 4 10 5 2 4 8 6 5 3 5 4 20 23 9 12 6 4 22 28 5 3 2 1 16 7 8 24 7 8 3 3 3 9 4 6 3 7 4 18 7 3 4 2 5 6 27 4 5 12 41 100 16 4 4 7 43 11 5 3 3 12 7 6 4 2 6 26 6 8 6 6 28 24 17 2 2 2 2 2 5 26 10 3 0 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 1 2 3 3 3 2 3 2 2 2 4 2 1 8 6 15 41 71 17 6 3 4 2 2 2 1 2 1 1 2 2 2 4 4 3 3 8 8 7 9 10 22 31 49 13 3 1 3 3 1 1 2 1 1 1 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; 1HNMR: 80 80 d 1H J 60 | 79 78 d 1H J 60 | 74 74 d 1H J 77 | 73 73 m 1H | 72 70 m 3H | 69 68 dd 1H J 22 77 | 66 65 d 1H J 22 | 42 41 t 2H J 49 | 38 38 m 4H | 35 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(F)cc1
ir: 0 4 8 7 2 6 3 2 1 2 2 2 2 3 6 5 1 4 6 1 1 3 2 1 3 3 3 1 1 2 2 1 1 2 2 5 5 3 2 1 1 3 2 1 3 3 2 1 2 2 4 8 47 53 26 29 20 7 2 1 4 8 4 3 7 8 7 16 16 14 11 7 5 9 4 6 4 5 3 13 35 6 1 1 2 9 11 3 15 13 5 4 8 5 1 1 5 18 10 9 4 10 4 6 4 2 1 2 3 2 0 3 10 3 0 3 5 2 2 4 8 5 1 9 7 4 3 4 5 4 4 4 4 3 1 2 2 1 0 3 3 6 3 5 4 1 1 40 55 4 3 11 9 5 5 3 3 1 1 3 2 0 3 5 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 2 2 4 4 2 3 3 3 9 7 11 100 66 30 11 9 2 4 3 3 2 2 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 76 75 q 1H J 15 | 74 73 m 4H | 73 72 ddd 1H J 10 21 70 | 70 69 ddt 2H J 17 82 97 | 39 38 s 2H | 31 30 dd 2H J 38 47 | 28 28 m 2H | 25 24 d 3H J 7 | 24 24 s 2H | 23 23 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CCCN(CCCOC=C(c2ccccc2)c2ccccc2)C1
ir: 12 16 5 17 11 6 10 11 10 8 8 5 3 5 3 5 3 6 4 4 4 5 4 3 4 3 3 3 3 6 11 17 44 27 19 8 4 4 19 15 15 96 70 0 5 4 6 4 5 6 9 3 6 5 7 4 5 7 4 7 7 4 6 3 17 24 18 23 36 58 9 11 13 12 11 15 13 18 11 6 9 5 15 26 14 33 14 8 10 6 5 8 4 4 7 10 12 15 11 9 11 9 9 18 12 17 10 8 18 17 23 32 14 15 6 14 10 8 15 9 7 7 6 10 5 8 7 5 6 8 7 10 11 13 12 40 13 11 9 7 5 6 31 33 64 52 42 31 9 4 5 33 21 5 3 4 6 3 3 3 5 3 3 2 3 3 3 3 3 3 2 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 3 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 3 2 2 2 3 2 2 3 2 2 2 3 2 3 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 5 16 8 7 5 6 5 8 12 21 31 22 52 23 100 92 37 11 13 7 6 4 3 4 4 3 3 3 2 2 2 2 3 2 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 8H | 73 72 m 2H | 67 67 t 1H J 9 | 42 41 qd 2H J 37 63 | 39 39 td 2H J 9 67 | 30 29 dd 1H J 38 115 | 27 25 m 6H | 20 17 m 4H | 17 15 m 2H | 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.
CSC(=S)N1Cc2[nH]c3ccccc3c2C[C@H]1CC(=O)O
ir: 6 6 7 6 8 10 16 7 7 7 7 8 15 13 7 8 8 9 12 8 18 36 19 11 7 7 12 16 9 6 6 6 6 6 8 6 7 6 6 6 9 10 65 7 7 6 7 6 7 6 6 5 6 6 6 5 6 6 7 8 6 6 6 8 6 6 6 5 6 6 11 6 6 6 8 8 10 14 22 69 10 7 9 8 8 8 6 6 6 6 5 6 6 6 6 7 12 11 9 9 8 10 11 6 15 11 15 11 22 9 7 8 10 14 11 7 10 8 12 7 7 6 6 7 6 6 7 7 12 8 7 6 8 10 10 9 7 7 9 9 7 6 8 40 12 7 7 6 7 5 5 6 6 11 6 16 5 6 6 6 6 6 6 6 6 5 6 6 5 5 6 6 6 6 6 6 6 5 6 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 6 6 6 7 6 8 7 7 6 9 10 8 6 11 12 8 24 11 8 6 5 7 9 5 0 100 34 27 8 5 5 6 6 6 5 7 7 6 6 6 8 9 25 22 18 6 6 6 6 6 6 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 5 6 6 6 6 6 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 80 80 s 1H | 74 74 m 1H | 74 73 m 1H | 72 71 m 2H | 50 50 d 1H J 137 | 49 48 d 1H J 137 | 46 45 tdd 1H J 53 81 95 | 34 33 dd 1H J 54 149 | 30 30 dd 1H J 95 157 | 30 29 dd 1H J 81 150 | 28 27 dd 1H J 94 158 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1=C(C2CC2)Nc2n[nH]cc2C1c1cccc2nonc12
ir: 3 1 2 1 3 15 8 7 7 4 10 5 4 2 2 3 14 2 3 23 13 2 1 1 7 5 1 1 3 1 1 2 2 1 1 1 2 9 4 2 6 5 4 13 12 10 33 46 19 2 6 6 3 0 3 2 1 1 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 1 1 0 1 1 2 3 1 1 3 2 2 3 2 1 3 3 1 8 3 1 0 2 4 5 4 2 100 4 1 1 2 2 0 1 3 7 9 2 1 1 0 1 6 1 0 1 1 2 7 3 5 1 1 1 1 0 0 1 1 1 1 1 1 8 34 7 2 16 1 2 2 1 7 43 66 4 10 4 2 1 4 23 23 7 3 2 8 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 5 4 1 2 2 13 14 12 1 13 15 4 2 1 1 1 0 1 3 1 1 1 2 2 2 2 1 2 2 1 20 89 6 30 5 1 3 2 1 0 1 1 2 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 93 93 d 1H J 37 | 88 87 s 1H | 79 78 dd 1H J 7 37 | 78 77 dd 1H J 13 95 | 75 75 dt 1H J 10 91 | 75 74 t 1H J 94 | 49 49 q 1H J 9 | 29 28 pd 1H J 10 43 | 12 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1ccc(O)cc1O
ir: 1 2 4 2 4 7 4 6 3 8 10 7 7 7 3 5 4 9 7 4 8 22 8 9 3 1 2 1 1 2 1 1 1 1 2 1 1 1 2 4 2 1 1 1 1 1 1 1 1 0 2 3 4 3 4 6 2 2 4 0 1 1 1 1 1 1 2 4 4 3 0 1 1 1 1 1 2 1 2 16 9 9 4 5 16 4 5 8 7 3 1 4 15 8 11 5 9 4 4 2 16 9 5 1 0 0 1 0 2 2 3 1 1 2 2 3 2 2 2 3 1 2 1 1 1 1 1 2 3 1 3 1 4 1 1 1 1 1 0 1 2 1 41 12 15 4 2 1 1 5 2 2 4 4 2 0 0 1 0 0 1 4 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 2 1 0 1 1 1 2 2 1 6 14 11 4 4 4 7 11 38 39 56 100 2 1 1 1 0 0 0 1 1 1 1 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 dt 1H J 9 86 | 64 63 dd 1H J 24 86 | 63 62 d 1H J 23 | 60 59 s 1H | 57 57 s 1H | 27 27 tt 2H J 9 88 | 25 24 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)CS
ir: 3 2 2 6 7 4 5 5 5 2 3 6 6 11 5 7 5 8 5 3 6 4 4 8 4 7 4 7 7 3 6 20 3 3 6 7 7 5 18 69 100 36 19 1 26 34 15 9 22 21 18 5 12 45 48 5 6 6 2 1 1 2 3 2 4 2 7 29 15 5 5 1 3 3 2 1 3 2 2 2 2 4 2 3 4 2 1 2 4 3 2 1 3 3 4 2 3 8 18 10 8 5 3 7 15 29 6 3 0 3 4 7 9 3 7 7 9 5 5 10 10 20 5 8 7 5 5 3 5 5 7 3 3 3 3 1 2 2 6 20 17 20 4 5 5 6 58 11 65 15 20 16 16 7 4 7 5 3 3 2 1 2 2 0 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 9 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 2 3 3 2 3 3 2 4 5 18 25 7 28 60 49 26 9 3 4 2 2 2 2 2 1 2 2 2 2 3 2 3 2 3 4 3 4 18 37 11 7 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; 1HNMR: 96 95 s 1H | 81 80 t 1H J 22 | 79 78 m 3H | 75 75 ddd 1H J 13 22 77 | 75 74 t 1H J 77 | 73 73 dq 1H J 10 79 | 42 41 d 2H J 70 | 25 24 d 3H J 11 | 19 18 t 1H J 70 | 18 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2c(=O)c3cc(O)ccc3n(C3CCS(=O)(=O)CC3)c2=O)cc1OC
ir: 2 2 22 3 6 2 4 4 8 6 2 1 4 4 3 2 6 3 8 5 3 2 1 1 2 2 2 2 1 0 1 1 2 1 2 2 6 7 12 1 2 2 1 2 1 1 2 3 8 3 6 6 15 2 35 6 14 4 4 7 3 3 3 8 6 22 3 1 11 13 3 2 1 2 2 2 1 1 2 1 2 3 65 16 2 7 8 24 22 5 4 4 2 1 1 1 1 2 3 2 3 2 1 2 9 4 15 20 8 4 2 2 2 1 2 1 4 10 17 8 1 3 5 5 8 11 14 17 5 14 3 6 3 1 2 3 8 1 1 1 9 1 1 5 2 0 1 1 2 20 7 4 6 20 17 6 7 5 96 0 0 1 1 1 9 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 1 1 1 1 1 1 0 1 1 0 1 2 3 4 5 3 1 3 3 2 2 4 16 6 5 43 14 12 6 4 3 3 6 100 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 91 90 s 1H | 76 75 d 1H J 30 | 74 73 d 1H J 91 | 71 70 dd 1H J 30 91 | 69 69 m 2H | 69 68 dt 1H J 8 87 | 53 52 t 2H J 9 | 44 43 p 1H J 70 | 39 38 d 6H J 22 | 32 31 ddd 2H J 70 95 143 | 31 31 ddd 2H J 70 95 143 | 24 22 ddt 2H J 70 97 138 | 21 20 ddt 2H J 70 95 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1ccc2c(c1)OCO2
ir: 4 2 3 4 5 2 3 2 1 5 2 2 1 2 3 5 1 3 4 7 14 16 14 4 3 3 5 1 7 12 18 10 16 6 3 2 4 2 9 14 57 59 10 2 6 4 3 1 2 4 5 2 10 21 17 6 4 3 2 0 4 4 1 1 8 22 15 6 10 10 4 4 3 2 1 1 2 4 2 6 3 2 1 1 2 6 2 2 2 2 2 3 2 4 1 1 2 2 1 2 2 7 2 6 3 2 1 13 7 5 9 4 4 3 1 2 7 3 4 6 1 4 4 6 4 4 13 31 9 4 4 2 3 1 0 3 4 1 0 7 100 78 11 3 12 29 20 11 22 11 5 11 4 5 2 5 5 1 2 1 15 1 3 2 1 1 1 2 1 0 1 2 1 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 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 3 3 2 3 2 2 2 2 3 10 14 9 25 29 15 15 4 2 2 4 1 0 1 2 2 1 2 4 3 1 3 2 2 1 5 12 12 29 18 62 35 11 2 3 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 48 | 76 75 m 2H | 74 73 d 1H J 20 | 70 70 m 2H | 69 68 d 1H J 84 | 60 60 s 2H | 38 37 q 2H J 51 | 36 36 t 2H J 51 | 25 25 d 3H J 6 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc2[nH]ccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
ir: 7 9 9 10 9 8 3 3 3 6 9 9 7 11 4 7 10 10 12 9 3 26 79 19 5 4 2 4 10 6 3 4 13 8 8 24 9 6 3 2 2 2 1 1 1 1 3 4 2 1 3 15 11 37 51 31 15 17 22 19 8 12 10 20 9 8 20 7 13 10 4 9 5 2 2 2 3 4 100 67 14 17 24 6 32 64 37 8 29 36 17 7 9 8 12 15 19 11 37 52 31 15 18 16 3 1 1 1 2 3 4 13 64 14 3 2 3 1 1 3 5 11 22 13 0 4 4 3 1 3 4 2 1 3 3 3 4 11 6 1 3 17 17 9 3 3 3 2 7 11 56 9 12 21 7 52 8 5 2 3 2 1 4 10 5 0 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 2 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 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 2 2 1 3 2 2 2 2 2 5 10 12 29 61 30 21 15 30 22 6 3 0 2 2 2 1 1 2 1 1 1 1 1 1 2 2 3 5 17 69 50 3 2 2 1 1 2 2 3 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 d 1H J 66 | 82 81 t 1H J 21 | 77 76 m 4H | 72 72 dd 1H J 31 66 | 69 69 m 2H | 67 66 m 1H | 32 32 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OCC2CCCO2)ccc1/C=C/C(=O)CC(=O)/C=C/c1ccc2cc[nH]c2c1
ir: 2 4 5 4 9 5 4 3 9 4 2 2 9 1 7 7 10 7 5 4 11 20 75 21 10 3 5 2 2 1 2 1 7 2 3 3 3 1 2 1 1 1 2 4 2 3 2 2 2 3 2 3 11 15 19 18 9 20 8 3 5 5 3 7 7 7 22 38 35 16 11 5 2 2 6 4 8 5 6 36 13 27 54 12 7 4 3 2 3 3 7 1 3 5 2 1 1 2 9 6 29 18 7 7 10 8 5 9 5 8 2 2 2 7 4 2 3 4 4 4 20 6 28 12 7 10 9 6 6 5 10 5 20 10 4 3 6 14 16 16 10 41 8 51 15 9 89 19 6 3 2 3 10 29 26 26 5 2 2 2 3 48 6 3 1 4 2 13 9 3 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 2 3 12 6 2 2 4 4 9 11 9 33 10 26 100 58 43 20 23 21 7 1 1 1 1 1 0 1 1 2 1 2 1 0 0 1 3 2 7 33 15 52 11 3 1 2 1 0 1 1 1 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 93 92 d 1H J 68 | 79 78 dd 1H J 11 82 | 78 77 m 2H | 77 76 d 1H J 22 | 76 75 m 1H | 75 75 m 1H | 75 74 dd 1H J 30 66 | 68 67 m 3H | 67 66 m 1H | 66 65 d 1H J 23 | 43 42 dd 1H J 32 122 | 40 40 dd 1H J 31 123 | 39 39 tt 1H J 31 40 | 39 39 s 2H | 38 38 m 1H | 37 36 m 1H | 35 35 t 2H J 9 | 22 21 dddd 1H J 41 63 84 116 | 21 19 m 1H | 19 18 ddddd 2H J 12 21 32 77 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(N2C(=O)CCC2=O)CC(C)(C)N1OC1CCCCC1
ir: 1 2 4 3 2 3 3 2 1 1 3 3 3 3 3 5 8 5 5 1 1 0 1 1 0 1 2 2 3 2 9 18 13 3 4 1 2 1 4 3 2 2 1 0 2 3 11 6 3 8 22 18 7 10 3 1 2 4 1 1 6 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 1 1 0 2 4 2 1 2 1 2 3 1 1 0 0 1 0 2 1 1 1 3 0 1 0 1 1 4 4 3 2 5 5 12 8 12 8 6 8 5 7 10 8 9 18 21 16 4 5 4 2 5 2 1 6 8 9 6 5 3 3 4 7 6 8 7 2 3 23 3 2 1 8 15 84 100 14 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 2 5 17 12 8 3 2 3 3 8 18 28 7 3 3 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 46 45 p 1H J 59 | 39 38 p 1H J 41 | 27 26 s 4H | 19 18 m 5H | 17 14 m 11H | 13 13 s 5H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(-c2ccccc2)nc2cc(Cl)ccc12
ir: 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 1 5 1 2 2 3 9 3 1 3 2 2 1 3 54 24 10 9 3 3 36 100 3 3 2 1 1 1 1 3 8 2 1 1 1 3 1 1 1 1 1 2 8 4 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 2 1 3 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 1 1 4 5 1 1 1 3 2 1 2 1 1 1 2 1 1 2 6 3 15 3 1 1 2 4 15 7 8 6 3 2 2 2 4 1 1 2 2 1 2 1 2 4 17 4 4 7 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 9 14 28 19 8 3 3 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 4 25 11 6 5 3 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 82 82 d 1H J 79 | 80 80 m 2H | 76 76 d 1H J 19 | 76 75 m 2H | 75 74 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)Cn1ccc2cc(Br)cnc21
ir: 1 2 5 1 2 3 1 2 2 1 1 6 7 4 1 2 2 1 2 3 1 2 2 3 1 2 1 1 0 3 6 4 100 3 12 3 2 7 14 11 3 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 7 1 1 4 6 6 6 8 5 2 1 1 2 8 6 7 18 4 0 1 2 1 0 1 1 1 1 2 1 0 1 1 3 1 10 15 2 1 1 3 11 9 3 2 2 2 4 44 6 3 2 2 1 0 1 2 1 0 1 4 5 3 2 1 1 1 1 2 1 2 2 2 1 1 1 2 1 1 13 3 3 3 2 2 1 0 1 2 1 6 19 4 1 1 7 8 1 1 1 1 0 5 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 2 4 6 5 4 7 10 12 7 26 8 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 d 1H J 16 | 81 80 t 1H J 20 | 75 74 dt 1H J 10 66 | 65 64 t 1H J 46 | 60 60 dd 1H J 22 66 | 43 42 tdd 2H J 9 46 160
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(C)cc2C)ccc1OC
ir: 7 14 8 5 1 4 5 28 40 8 9 5 8 5 6 14 10 10 5 5 13 8 11 2 1 3 4 1 1 3 4 4 2 2 2 1 5 16 11 6 3 2 1 1 6 2 1 1 2 4 2 5 3 13 35 11 2 5 4 2 4 6 14 7 6 7 4 24 12 8 3 5 4 5 2 1 2 3 3 3 6 6 4 20 37 81 13 16 7 20 5 6 9 8 2 3 2 3 1 7 3 6 8 1 2 3 3 4 8 14 17 5 3 2 1 2 3 2 4 7 7 8 18 5 5 6 4 5 4 2 3 4 2 2 1 2 3 1 2 1 1 1 1 3 8 6 3 22 15 26 12 18 15 5 3 8 2 0 1 2 1 3 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 3 2 1 2 1 2 1 2 2 3 4 6 4 8 14 1 23 100 17 9 3 1 2 4 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 d 1H J 22 | 78 78 dd 1H J 21 98 | 72 72 d 1H J 98 | 71 70 m 1H | 70 69 d 1H J 81 | 69 69 d 1H J 20 | 39 39 d 6H J 26 | 35 35 d 2H J 57 | 24 23 m 2H | 23 22 s 3H | 21 20 m 1H | 10 9 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn2c(N)c(C#N)c(-c3c(C)cc(C)cc3C)nc12
ir: 3 4 3 3 3 5 3 3 4 4 4 7 13 6 5 4 4 4 4 3 3 3 4 4 4 3 4 3 3 4 10 24 4 3 3 4 5 4 3 3 3 3 3 3 16 5 3 3 3 3 4 3 3 3 3 3 3 3 4 4 4 4 4 4 3 3 4 3 3 3 3 3 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 7 4 4 3 3 3 5 3 3 3 6 4 4 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 3 4 4 5 3 3 3 3 3 3 3 3 4 7 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 9 3 3 3 3 3 6 4 3 17 13 5 9 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 4 4 4 4 5 4 3 7 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 2 4 7 21 2 4 4 2 2 4 4 2 2 7 10 100 12 0 1 5 4 2 2 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 85 85 s 1H | 69 69 s 2H | 69 68 s 2H | 43 43 q 2H J 64 | 24 24 s 3H | 23 23 s 6H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c3c(nn2c(C)c1Cl)CN(C(=O)c1ccc(F)cc1OC1CCN(C(C)C)CC1)C3
ir: 2 6 7 8 14 19 19 8 11 11 8 14 44 23 4 6 11 11 6 4 9 17 7 10 7 59 35 4 5 3 6 9 4 2 18 20 11 14 22 10 11 16 8 3 2 1 3 4 3 3 2 3 7 20 19 19 8 2 6 5 9 4 14 3 6 3 26 25 21 8 8 8 7 5 3 3 17 13 4 11 10 3 10 6 13 9 14 14 15 11 5 10 20 8 6 5 5 5 2 6 8 9 3 7 23 5 8 8 16 24 16 33 13 8 14 9 10 10 6 17 25 12 8 15 12 10 15 11 21 27 10 63 35 61 65 6 3 5 7 82 17 36 7 19 7 8 9 2 11 16 94 86 86 68 3 7 65 8 4 1 3 100 8 3 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 10 8 4 4 3 6 9 5 6 6 5 4 14 29 56 20 15 100 30 10 6 3 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 50 87 | 71 70 ddd 1H J 22 86 106 | 68 68 dd 1H J 22 121 | 50 50 s 2H | 49 48 s 2H | 45 45 p 1H J 47 | 29 28 m 3H | 26 25 m 7H | 22 21 ddt 2H J 49 79 129 | 19 18 ddt 2H J 49 79 128 | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2cccc(NN=C3C(=O)N(c4ccc5c(c4)CCC5)N=C3C)c2O)o1
ir: 6 9 9 15 9 24 28 12 6 10 14 5 6 6 7 4 11 4 3 5 2 4 4 4 5 4 7 10 7 15 12 7 19 4 3 6 11 6 5 5 9 3 3 6 3 5 9 6 53 20 7 21 13 29 10 7 5 8 17 7 3 4 1 1 2 6 2 2 3 21 5 4 3 3 4 3 2 4 6 4 11 5 3 5 11 3 6 8 6 4 17 29 12 19 8 5 12 2 1 6 2 11 8 9 4 2 1 1 3 18 7 4 15 37 8 3 4 8 17 5 4 5 23 12 7 3 1 3 3 7 4 1 3 7 4 5 15 2 2 3 24 11 2 7 20 4 2 2 13 3 28 5 5 7 12 16 13 8 5 8 5 2 7 4 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 2 1 2 1 1 2 3 6 10 7 17 30 29 19 19 7 5 8 17 72 11 1 1 2 1 1 1 1 1 0 2 3 2 6 14 10 100 29 4 4 2 2 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 dd 1H J 12 76 | 77 76 m 2H | 76 75 dd 1H J 21 83 | 73 73 d 1H J 55 | 73 72 dd 1H J 75 93 | 72 71 dt 1H J 9 84 | 69 69 d 1H J 53 | 40 39 s 3H | 29 28 m 5H | 23 23 s 3H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)N1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2)C1
ir: 1 4 8 5 6 3 5 2 4 2 6 5 7 2 2 3 6 8 3 4 2 2 3 1 1 2 2 3 2 7 5 53 13 23 11 3 4 2 59 0 4 62 12 2 2 3 2 1 3 5 2 1 2 3 2 1 2 4 2 11 4 4 3 3 14 22 19 57 10 13 3 6 6 6 4 2 2 4 6 4 5 7 3 2 3 4 4 2 2 4 2 10 11 29 32 6 6 5 23 35 19 4 3 3 4 2 1 2 6 12 22 9 6 6 2 6 17 17 1 4 5 3 9 7 19 25 5 8 9 25 20 20 6 5 8 14 12 6 3 16 6 4 5 7 9 9 3 4 3 2 5 100 11 1 2 2 2 1 1 4 2 1 1 3 2 1 1 3 1 0 1 3 1 0 2 3 2 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 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 2 3 2 1 2 3 5 1 5 6 3 1 4 6 4 5 20 24 12 63 23 9 8 2 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 1 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 td 1H J 9 24 | 76 76 dt 2H J 9 20 | 73 72 m 5H | 47 46 dt 1H J 8 112 | 45 45 dt 1H J 8 112 | 41 40 td 1H J 26 55 | 39 38 dd 1H J 66 119 | 37 37 m 2H | 34 33 ddd 1H J 61 88 121 | 31 30 m 1H | 29 29 s 5H | 22 21 m 1H | 20 19 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.
O=C(Nc1ccc2ncsc2c1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
ir: 2 2 5 12 9 2 2 1 1 2 2 4 1 1 1 1 0 1 3 1 3 5 3 1 3 3 2 0 1 5 8 2 1 3 3 1 2 3 5 3 19 32 27 12 2 2 2 3 3 2 2 1 3 4 26 19 14 4 2 3 1 0 2 2 2 2 2 6 10 6 1 1 1 3 2 2 3 2 4 4 1 3 5 6 5 1 8 2 3 1 1 1 1 1 1 2 5 2 3 3 3 3 4 5 12 5 5 9 2 2 3 3 2 1 1 1 1 1 5 4 1 3 3 3 9 7 3 2 1 1 0 1 2 1 7 11 1 3 3 1 1 2 7 15 1 10 31 7 1 2 1 16 100 42 24 7 1 1 1 0 1 1 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 2 1 2 7 9 13 28 17 6 9 2 2 2 2 1 0 1 1 0 1 1 0 1 1 1 2 2 3 5 12 26 25 8 4 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 85 84 s 1H | 82 82 d 1H J 23 | 81 80 m 2H | 78 77 d 1H J 77 | 76 75 m 4H | 38 37 m 4H | 36 35 dd 4H J 45 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccc(Cl)cc1
ir: 2 12 12 5 5 2 4 4 2 6 15 14 9 7 4 2 1 0 1 1 1 1 0 1 2 4 7 5 1 1 2 2 2 0 1 2 4 2 8 3 8 18 4 7 7 5 4 4 8 4 4 4 13 18 43 49 36 2 3 5 5 9 4 0 5 2 4 5 8 15 2 2 3 6 7 8 8 5 2 2 1 1 1 2 1 2 1 1 2 7 21 32 7 4 1 4 9 7 5 6 1 3 3 9 6 10 3 26 21 6 4 2 4 2 5 3 3 4 4 2 4 4 7 16 15 7 4 1 1 6 3 1 1 2 3 5 2 5 8 12 4 19 41 62 99 100 23 5 25 39 27 14 39 3 3 1 1 2 3 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 2 1 1 4 3 1 3 27 11 51 24 43 50 24 8 9 6 5 5 4 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 m 2H | 42 41 p 2H J 64 | 28 28 m 1H | 24 23 t 1H J 97 | 20 19 ddq 1H J 66 86 95 | 13 12 t 3H J 63 | 10 10 d 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1CC1)Nc1cc(C(=O)NCc2ccccc2)ccn1
ir: 2 1 0 3 3 1 1 1 1 4 2 2 3 2 1 1 1 2 4 4 2 1 3 6 7 4 2 1 1 4 9 12 7 5 7 8 12 22 44 100 46 20 21 6 3 0 3 6 5 2 4 3 3 3 8 5 1 1 2 4 2 3 4 9 14 16 19 21 4 2 2 1 1 0 7 5 2 1 3 4 1 0 2 4 5 7 3 3 2 10 3 1 1 2 3 12 6 15 8 2 1 1 1 1 0 1 1 1 1 1 2 1 2 3 3 2 2 5 4 5 11 8 7 5 6 5 6 2 1 2 2 1 1 6 10 13 2 3 2 2 5 28 12 15 16 12 25 42 28 41 52 10 9 5 6 5 3 1 1 4 2 2 3 3 35 9 3 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 1 1 1 2 3 5 10 19 8 6 27 56 35 11 9 7 4 2 2 2 1 2 2 2 1 1 5 3 2 3 3 8 8 6 12 73 45 17 11 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 1 0 0 1 0 0 0 1 1 0 0 1 0 0; 1HNMR: 96 96 s 1H | 84 84 d 1H J 49 | 84 83 d 1H J 21 | 83 82 t 1H J 57 | 76 76 dd 1H J 22 48 | 74 72 m 3H | 73 73 s 3H | 45 45 dd 2H J 8 57 | 25 24 d 2H J 68 | 16 15 ddq 1H J 61 69 128 | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(C)(C)c2cc(CC/C=C(\CO)c3cccc(C(F)(F)F)c3)ccc21
ir: 6 4 5 2 1 4 3 2 3 3 1 1 1 1 5 3 4 1 1 1 2 1 1 3 3 1 1 2 2 2 3 6 19 4 2 7 1 1 1 1 1 1 3 3 5 3 12 10 21 3 1 2 2 7 10 31 3 4 5 1 1 1 4 11 9 3 8 16 14 30 17 8 1 1 8 7 5 2 4 7 7 0 7 6 2 31 55 26 30 19 14 12 11 8 7 2 10 6 51 27 14 5 6 2 3 3 5 4 13 11 8 6 8 12 40 8 12 6 10 5 4 4 4 3 6 13 10 15 13 4 3 4 4 6 2 1 1 1 2 1 15 29 1 2 2 2 1 1 1 1 2 13 3 11 5 4 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 4 4 6 7 4 3 12 7 12 5 7 5 36 25 48 100 27 13 10 4 4 12 15 73 82 4 5 4 3 2 2 2 1 2 2 2 1 2 1 4 7 3 4 2 2 2 2 2 2 1 2 1 1 1 2 1 1 1 1 0 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; 1HNMR: 78 77 t 1H J 20 | 76 75 dt 1H J 21 95 | 74 73 m 2H | 71 71 m 1H | 70 69 dtdd 2H J 9 21 29 39 | 61 60 tp 1H J 13 51 | 46 46 ddt 2H J 10 18 61 | 29 29 t 1H J 60 | 28 26 m 4H | 19 19 m 4H | 13 13 d 12H J 66
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(Cc1ccccc1)C(=O)CCC(C)(C)C(=O)O
ir: 2 4 1 2 6 1 0 3 4 6 6 12 10 5 13 5 6 6 8 12 16 34 38 11 7 3 4 3 4 6 6 3 2 5 4 4 3 25 11 4 3 7 2 5 2 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 1 2 3 4 1 1 2 2 1 2 3 33 100 4 2 2 2 20 4 1 4 3 3 9 3 2 1 1 1 2 3 2 1 1 1 2 2 2 1 1 2 1 0 1 1 1 3 3 3 2 14 7 5 7 6 8 3 3 5 5 6 12 11 8 12 9 3 2 5 19 2 4 1 4 4 2 5 20 42 11 15 22 2 2 2 2 87 15 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 3 3 3 1 1 2 2 1 6 10 41 13 9 29 18 10 3 2 1 1 1 2 4 40 8 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 6H | 49 48 t 2H J 8 | 26 25 t 2H J 83 | 19 18 t 2H J 83 | 15 15 s 8H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C#N)c1nc(-c2ccccc2)cs1
ir: 7 6 13 4 4 3 3 4 4 4 2 3 3 2 2 2 3 1 1 2 2 1 2 6 6 2 1 12 9 22 17 9 10 7 9 19 10 7 8 22 9 17 18 18 16 11 4 8 15 2 2 2 3 3 7 12 8 0 4 5 7 7 6 6 4 13 13 7 8 6 6 27 7 10 10 12 5 8 6 7 5 2 5 9 20 67 9 7 2 2 4 6 11 26 12 8 5 7 10 5 70 100 8 2 5 2 2 2 2 2 3 3 4 3 5 4 3 6 4 6 3 7 5 5 3 8 12 7 6 4 9 29 10 7 12 7 8 5 2 2 3 14 15 5 10 26 14 6 3 4 8 15 5 11 3 2 1 2 2 1 1 2 2 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 2 2 1 2 2 3 3 1 7 14 11 7 18 39 71 55 95 22 25 12 4 2 4 4 2 1 2 3 1 0 2 2 1 0 2 2 0 0 2 2 1 0 2 2 0 0 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 0 1 2 1 0 1 1 1 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; 1HNMR: 78 78 m 2H | 76 76 s 1H | 75 74 m 2H | 74 74 m 1H | 50 50 s 1H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C#CC#CCOS(C)(=O)=O)cc1
ir: 4 5 3 10 5 7 11 10 8 5 8 6 14 22 21 7 1 2 1 1 1 1 1 1 1 1 2 3 4 2 3 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 2 4 9 3 3 4 6 6 0 11 28 8 4 2 2 1 1 2 9 8 15 14 12 100 17 3 7 7 5 1 1 8 3 1 1 3 4 15 17 31 24 9 1 2 2 1 1 2 1 1 3 5 4 5 3 4 2 4 2 2 1 1 1 2 2 2 12 9 7 5 5 4 6 3 4 5 22 1 2 3 1 0 1 2 1 0 2 2 1 0 2 3 3 19 83 24 4 2 2 12 3 8 7 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 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 2 2 2 1 1 2 1 1 2 2 1 0 2 2 15 4 11 13 12 48 14 2 2 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 76 76 m 2H | 48 47 s 2H | 39 39 s 3H | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCn1c2c(c3cc(Br)ccc31)CNCC2
ir: 2 7 5 5 1 3 3 2 1 2 3 2 3 3 3 2 2 9 10 2 1 3 3 2 1 2 3 1 2 2 2 1 2 3 5 2 6 4 3 4 5 5 6 6 7 14 11 16 12 13 11 21 46 65 67 85 49 10 30 12 6 23 10 22 38 51 26 27 15 13 6 3 2 9 4 1 4 3 1 1 2 4 4 16 16 4 1 1 3 15 7 2 5 5 6 3 4 4 3 2 4 5 5 5 7 10 14 14 17 100 48 9 12 16 85 88 88 18 14 11 14 10 16 4 5 4 3 5 9 4 4 14 13 2 0 3 2 1 1 3 3 2 2 3 4 11 8 4 4 0 1 25 8 11 12 3 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 3 2 0 1 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 3 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 3 1 1 2 3 2 2 3 4 1 4 7 11 16 6 5 3 4 3 8 6 19 23 18 20 36 20 11 18 4 3 3 2 1 2 3 2 2 3 4 2 5 12 12 36 49 21 4 2 1 3 2 2 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 m 2H | 71 71 dd 1H J 8 79 | 42 42 d 2H J 38 | 40 40 t 2H J 59 | 31 31 dt 2H J 34 44 | 28 27 m 2H | 27 26 p 1H J 36 | 18 17 p 2H J 60 | 14 12 m 6H | 13 13 s 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCC(F)C(N2C(=O)c3ccccc3C2=O)C1
ir: 5 3 8 2 12 5 4 2 3 3 3 2 5 2 1 1 2 1 1 1 4 4 1 1 1 1 1 1 3 10 2 2 2 0 0 2 3 1 10 92 100 14 6 0 2 2 3 3 5 3 1 1 1 1 1 2 2 2 3 4 2 1 2 1 5 8 3 1 3 4 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 4 1 1 1 2 3 2 2 1 1 2 5 5 4 2 2 2 3 5 3 2 5 9 7 12 9 4 2 9 7 4 1 1 2 7 5 8 23 8 7 7 11 2 2 7 15 5 2 1 1 2 2 21 14 4 5 47 21 12 3 2 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 1 1 2 1 2 3 9 2 10 42 15 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 74 73 m 5H | 52 51 s 2H | 49 49 m 0H | 48 48 td 1H J 37 44 | 46 45 dq 1H J 32 154 | 41 41 dt 1H J 33 104 | 39 38 dt 1H J 33 104 | 38 37 dddd 1H J 36 52 79 116 | 35 34 dddd 1H J 35 52 81 118 | 24 22 m 1H | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F
ir: 2 1 0 1 1 1 1 8 13 5 2 1 2 2 2 2 2 2 3 1 1 1 1 1 1 1 1 2 4 6 12 6 8 7 3 4 9 9 7 6 3 7 30 33 25 14 3 2 5 8 1 1 1 3 5 2 14 3 2 1 2 1 0 1 1 1 8 1 0 0 0 0 1 3 4 2 1 1 0 0 1 1 2 2 1 1 1 1 1 1 0 1 2 3 3 2 3 3 27 8 18 38 1 1 1 1 0 1 4 16 16 10 1 1 0 1 1 1 0 3 2 2 2 3 1 1 0 1 1 0 0 0 1 0 0 1 2 7 29 5 4 1 1 4 8 9 16 56 27 29 10 16 13 12 3 8 12 6 1 2 9 6 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 2 1 1 1 1 1 1 1 2 6 7 11 21 35 9 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 2 2 2 4 13 100 75 7 4 1 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 80 79 dd 2H J 14 71 | 77 77 dp 2H J 13 106 | 75 74 ddd 2H J 14 73 107 | 74 73 td 2H J 14 72 | 36 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(n1)CCC2
ir: 3 2 3 79 0 3 4 3 1 3 4 4 2 3 3 2 2 3 3 2 2 3 3 3 3 4 11 4 3 5 3 13 12 21 8 2 2 4 5 3 5 6 5 3 3 4 3 2 3 4 4 5 100 17 5 2 5 5 6 2 3 5 3 2 10 8 8 4 3 3 2 2 3 3 2 3 3 3 3 3 4 3 2 2 8 6 3 23 8 3 3 3 6 6 6 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 9 4 7 24 1 5 6 4 3 6 6 4 2 3 5 6 2 7 8 15 2 3 4 2 4 3 50 36 2 4 3 2 2 5 5 49 6 2 3 8 90 50 8 2 2 6 8 36 13 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 3 4 3 4 8 5 3 3 3 5 4 6 22 8 21 56 12 9 10 7 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 73 72 dt 1H J 9 84 | 65 65 d 1H J 84 | 39 39 s 2H | 31 30 dd 2H J 57 66 | 29 27 m 2H | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
ir: 5 7 6 6 8 9 13 5 4 4 4 3 2 2 1 4 3 2 2 3 3 2 1 2 3 2 6 3 4 2 3 5 13 12 9 3 13 9 76 80 19 16 6 15 4 3 15 4 4 4 1 3 2 1 2 7 5 4 3 2 2 2 6 7 5 8 11 56 64 10 7 6 10 13 12 2 2 2 4 3 4 10 6 4 6 6 8 4 3 9 7 7 27 6 5 3 5 6 18 6 4 3 3 2 2 5 4 3 7 5 3 3 2 16 12 2 2 4 5 5 6 6 5 2 5 2 2 4 3 3 4 2 1 6 4 2 3 4 2 6 17 5 5 24 36 13 15 22 18 74 93 45 30 56 15 7 4 3 4 5 16 54 59 31 6 4 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 5 2 3 3 4 5 9 7 11 18 17 56 31 17 10 8 4 1 2 4 1 0 2 2 1 0 2 2 1 1 2 4 5 6 9 38 100 22 4 3 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 97 97 s 1H | 82 82 d 1H J 50 | 70 70 d 1H J 22 | 69 68 dd 1H J 21 50 | 67 67 dt 1H J 9 121 | 66 65 dt 1H J 9 43 | 36 36 s 2H | 31 30 ddd 1H J 9 71 145 | 30 29 dddd 1H J 7 59 84 144 | 29 27 m 3H | 24 24 p 1H J 55 | 22 21 m 1H | 19 18 ddt 1H J 63 86 135 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(F)ccc(O[C@@H](C)C(=O)OC)c2c(OC(F)F)c1Cc1ccc(Cl)cc1Cl
ir: 4 2 3 4 8 7 4 3 6 3 5 19 9 7 23 4 2 3 2 2 3 4 9 15 5 2 2 1 4 1 2 10 11 2 4 5 4 7 2 1 1 2 1 1 1 2 3 8 2 1 1 6 17 48 19 36 23 5 3 7 33 2 5 3 4 3 29 30 5 4 19 3 10 13 13 38 13 12 49 70 15 6 4 3 4 6 12 4 6 4 1 3 3 20 22 3 2 2 3 3 2 9 3 3 1 1 2 2 6 7 14 9 4 10 9 9 17 6 8 15 9 9 12 5 11 8 6 6 13 5 3 2 3 7 2 3 5 10 4 6 3 18 3 13 14 8 67 7 16 59 7 9 29 54 2 0 1 1 1 1 2 78 15 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 4 3 2 2 3 2 2 4 5 3 4 9 7 13 17 26 19 18 100 57 21 12 4 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 dd 1H J 7 15 | 72 71 m 3H | 71 70 dd 1H J 48 93 | 67 67 s 0H | 50 49 q 1H J 62 | 40 40 s 2H | 38 37 s 3H | 29 28 q 2H J 75 | 15 15 d 3H J 62 | 13 13 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(C(ON2C(=O)c3ccccc3C2=O)C(=O)N2CCOCC2)c1
ir: 2 1 2 3 2 2 2 2 2 2 2 4 4 2 2 1 2 2 1 9 3 2 3 2 4 9 3 3 3 6 4 11 3 14 9 18 6 22 100 2 4 6 3 5 2 4 3 5 6 4 3 0 2 3 2 1 2 3 3 1 2 5 4 5 4 3 5 4 5 2 2 2 5 5 2 1 2 3 1 2 5 2 1 2 2 2 1 2 3 7 10 3 6 6 2 2 2 2 2 4 3 3 2 3 6 4 4 6 3 4 1 2 2 3 3 3 4 6 2 2 3 3 2 4 4 5 2 3 4 5 24 10 8 11 3 2 5 11 28 5 17 2 2 3 3 3 3 23 9 1 1 3 4 2 28 7 4 1 1 8 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 3 1 2 4 2 0 5 9 9 65 16 4 3 3 2 2 2 2 2 2 1 1 2 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 77 m 4H | 77 77 td 1H J 8 22 | 76 76 dddt 2H J 12 21 38 60 | 75 75 dd 1H J 62 72 | 58 58 d 1H J 10 | 37 37 m 4H | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](Cc1ccccc1)[C@@H]1C[C@H](Cc2ccccc2)C(=O)O1
ir: 4 3 2 3 3 2 2 2 3 2 3 4 3 2 2 2 3 2 1 3 4 3 1 2 3 2 1 2 4 5 10 14 7 3 2 3 3 3 26 7 21 9 4 6 4 8 7 6 3 1 2 3 3 3 11 9 7 6 3 6 4 5 5 6 3 2 4 8 9 7 6 5 7 5 10 8 6 10 18 13 7 2 5 11 3 1 2 2 2 11 6 3 1 2 5 4 3 6 12 2 2 2 3 2 2 2 3 2 1 4 9 13 6 3 5 3 3 3 6 2 3 4 6 5 2 9 7 4 5 4 14 24 12 17 25 16 8 5 4 1 2 3 13 10 15 15 5 2 2 2 3 3 3 2 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 2 3 3 2 3 3 4 3 3 6 9 11 10 23 20 7 4 4 2 2 2 4 1 2 4 3 11 9 8 13 8 3 3 6 15 100 67 11 2 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 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 73 m 2H | 73 72 m 8H | 45 44 dtt 1H J 14 31 71 | 35 34 hd 1H J 18 63 | 31 30 m 1H | 30 29 m 2H | 28 27 m 1H | 27 27 dd 3H J 64 165 | 24 23 ddd 1H J 32 58 140 | 21 20 dddd 1H J 17 50 73 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)P(=O)(OCC)C(C)CCN
ir: 0 11 7 5 6 26 27 15 19 7 4 3 4 10 13 12 10 7 3 2 3 2 2 2 2 3 3 2 3 3 10 3 5 5 3 3 4 5 29 7 4 3 2 2 3 4 3 3 3 1 3 4 4 2 2 4 4 1 14 4 8 12 19 15 9 6 26 3 7 22 12 15 20 38 100 17 57 24 24 22 13 13 4 7 10 11 5 1 5 3 1 1 4 4 4 3 5 5 2 1 4 3 1 5 6 34 3 5 4 2 3 6 6 6 6 7 6 5 14 6 19 11 3 9 13 5 4 5 7 16 11 8 29 19 9 13 34 17 62 10 8 2 2 3 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 2 3 2 6 6 2 3 3 4 10 4 6 6 5 8 10 8 7 20 8 3 3 4 3 2 2 2 2 2 1 2 3 2 4 5 29 30 19 22 8 8 9 3 93 33 1 7 5 1 3 4 3 2 2 3 3 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 51 50 d 1H J 115 | 41 40 m 2H | 38 37 dq 2H J 57 113 | 37 36 dq 2H J 57 113 | 29 28 dp 1H J 59 119 | 28 27 dp 1H J 60 120 | 26 25 m 1H | 20 19 t 2H J 58 | 19 18 ddt 1H J 61 77 139 | 16 15 ddt 1H J 60 77 137 | 13 12 td 3H J 7 68 | 12 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccn1-c1ccc(Nc2nc3c(c(CCC4CCCCC4)n2)CNCC3)cc1
ir: 4 4 2 2 9 5 3 5 6 7 19 16 5 13 2 12 7 5 2 7 4 6 5 3 3 3 1 12 2 8 10 2 2 4 6 6 13 11 14 13 10 18 17 67 6 5 10 11 5 9 7 11 16 18 22 100 41 8 7 11 3 3 3 0 2 4 2 1 3 4 3 5 10 26 10 15 6 3 2 2 2 3 16 6 3 3 7 25 23 26 6 5 4 2 3 10 7 23 11 7 3 4 5 13 86 75 23 26 22 25 19 45 51 69 88 76 45 34 22 21 7 13 29 21 19 12 7 4 15 29 25 13 7 6 17 5 8 4 2 3 1 2 1 1 2 2 1 3 4 1 4 18 10 20 14 9 3 1 1 1 0 1 6 3 6 0 1 27 45 3 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 2 8 5 8 5 13 25 32 29 30 38 15 15 27 39 48 84 31 35 88 36 47 27 9 8 4 5 2 2 1 2 3 1 1 1 1 1 0 10 39 13 11 10 12 65 27 6 1 2 1 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; 1HNMR: 83 82 s 1H | 78 77 d 1H J 38 | 77 76 d 1H J 38 | 75 74 m 2H | 73 73 m 2H | 39 39 d 2H J 65 | 32 31 m 2H | 30 29 tt 1H J 50 66 | 28 28 m 2H | 28 27 t 2H J 84 | 25 25 s 2H | 18 17 td 2H J 71 83 | 17 15 m 1H | 15 15 m 1H | 15 14 m 2H | 15 14 m 2H | 14 13 m 4H | 12 11 ddt 2H J 59 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ccccc1)Nc1ccccc1
ir: 3 10 10 19 2 4 11 19 8 6 4 7 19 8 3 3 9 22 33 14 10 4 2 2 3 6 9 2 3 8 6 4 4 3 2 3 3 2 2 6 34 100 9 3 3 3 3 5 2 2 2 1 2 2 2 1 3 4 2 2 2 2 2 2 2 1 6 45 23 10 2 0 3 13 3 5 3 3 2 3 12 3 7 19 7 4 1 1 2 2 1 2 6 5 1 1 2 2 1 2 3 3 0 16 26 12 24 6 2 2 2 2 4 6 4 2 2 4 3 2 3 2 3 2 3 1 1 3 4 3 2 3 4 18 26 9 3 1 2 9 8 7 6 14 47 74 48 7 2 3 4 4 10 28 8 0 1 2 2 1 12 17 5 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 2 2 1 1 2 1 2 1 1 2 2 1 1 2 1 1 2 2 1 2 3 3 3 5 11 14 68 41 13 15 4 4 2 2 2 2 3 1 2 1 2 2 2 3 3 4 3 9 9 54 63 66 73 17 6 8 11 6 4 2 3 2 2 2 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; 1HNMR: 71 71 m 4H | 68 68 tt 2H J 12 70 | 68 67 m 4H | 49 48 m 1H | 45 45 d 2H J 66 | 11 11 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccn(C)n2)c1
ir: 2 1 2 2 2 2 3 1 7 6 5 7 8 5 4 3 3 2 1 2 2 1 1 1 2 1 1 2 3 4 3 2 1 1 2 4 8 5 2 1 1 1 1 0 1 3 8 3 4 4 7 23 65 15 3 4 7 4 2 6 2 2 2 4 5 11 3 4 13 3 3 3 2 1 3 2 2 3 5 5 1 3 9 5 18 13 7 15 12 3 3 2 3 2 5 6 4 4 2 2 2 3 3 7 11 16 2 2 2 9 4 8 2 1 2 1 1 1 5 5 1 3 5 2 6 4 3 2 3 3 3 1 1 1 5 1 0 1 1 1 1 1 1 0 1 6 17 27 14 12 20 7 14 10 1 1 6 4 6 2 6 11 2 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 1 1 3 2 2 2 1 1 1 1 1 1 1 2 1 10 3 7 9 19 100 15 9 4 5 6 4 5 25 10 7 2 2 1 1 1 2 1 1 1 2 0 3 6 18 8 5 5 2 1 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 78 78 m 2H | 73 73 m 1H | 73 72 t 1H J 22 | 72 71 m 3H | 66 66 t 1H J 23 | 62 62 d 1H J 31 | 47 46 m 1H | 39 38 d 3H J 7 | 38 37 m 2H | 36 35 m 1H | 33 32 s 2H | 14 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c2c(c1)N(CCC(=O)O)C(=O)C(C(C)C)O2
ir: 0 1 1 1 1 2 3 4 8 6 10 8 8 5 4 3 4 8 15 14 100 17 18 23 23 3 5 2 12 4 3 2 2 1 1 3 7 8 6 6 2 2 2 5 3 1 4 2 1 0 1 1 1 2 1 1 1 2 1 1 3 1 2 4 2 3 4 4 7 5 4 3 3 3 3 7 6 12 13 27 4 7 6 4 4 16 4 2 1 0 1 2 1 0 2 2 1 1 3 1 2 1 1 1 1 1 1 1 4 5 5 17 8 3 2 2 3 1 5 4 2 2 2 2 5 2 2 2 3 3 2 3 2 2 2 1 2 2 2 1 4 5 4 9 4 3 3 5 3 1 4 1 0 1 1 0 1 4 3 0 1 1 1 2 3 2 1 1 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 3 2 2 1 1 1 3 2 4 8 5 3 4 12 12 3 1 1 1 2 1 3 8 59 20 2 2 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 d 1H J 22 | 67 66 d 1H J 18 | 47 46 ddq 1H J 16 31 60 | 42 41 m 2H | 38 38 s 2H | 27 26 t 2H J 67 | 23 22 pd 1H J 63 75 | 22 21 s 3H | 10 9 ddd 6H J 15 74 209
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(Cc2ccc(N)c(C(N)=O)c2)CC1
ir: 5 5 4 3 4 3 3 4 4 4 10 6 9 6 7 20 23 11 7 44 11 13 17 12 12 16 4 6 5 7 10 22 7 4 4 4 4 4 5 3 3 13 17 100 17 0 3 9 6 4 3 7 5 18 21 54 12 13 7 7 4 1 4 6 6 5 4 7 6 2 4 5 3 4 7 6 3 6 20 25 35 10 9 10 28 24 6 5 7 10 6 5 3 3 5 4 4 7 6 10 16 6 10 5 3 3 4 3 2 3 4 3 2 3 5 6 3 3 6 9 4 4 5 5 6 6 6 3 3 4 5 4 3 3 4 3 3 3 3 3 3 4 4 13 3 4 12 10 4 5 4 6 5 8 12 19 19 43 47 26 3 13 8 2 13 8 4 0 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 4 4 3 2 3 4 2 2 4 4 2 3 4 4 2 2 4 4 2 2 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 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 4 3 4 5 4 3 4 4 5 4 17 16 13 6 5 5 4 3 4 4 3 2 4 4 3 5 6 4 60 97 59 5 5 3 4 4 3 3 10 9 21 89 94 52 11 7 8 5 3 3 4 4 2 3 4 3 3 4 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 78 77 dt 1H J 9 20 | 73 72 ddt 1H J 9 20 82 | 69 69 d 1H J 82 | 69 68 s 2H | 66 66 s 2H | 36 36 t 2H J 9 | 27 27 m 4H | 25 24 m 4H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nn(CCCN2CCOCC2)c2ccccc12
ir: 4 2 3 4 1 3 3 4 2 2 2 3 5 4 4 6 4 14 9 5 3 4 5 4 6 5 3 3 3 2 2 2 2 4 5 3 2 2 2 3 2 3 6 3 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 1 2 2 2 2 2 1 2 2 2 2 2 2 3 3 3 2 3 2 2 2 3 3 4 3 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 6 5 3 2 2 2 2 2 2 3 5 6 3 3 13 2 2 2 2 3 3 9 5 18 6 21 5 3 2 2 2 2 2 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 2 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 3 4 5 5 5 3 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 7 11 2 2 3 1 1 2 3 0 1 5 13 100 11 0 1 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 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; 1HNMR: 80 79 dd 1H J 16 78 | 75 75 dd 1H J 15 74 | 74 74 td 1H J 13 72 | 73 72 m 1H | 57 57 s 2H | 40 39 m 2H | 37 37 m 4H | 27 26 t 2H J 63 | 26 25 m 4H | 20 20 p 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOC1=CC(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O
ir: 2 4 6 5 3 5 3 3 1 2 1 2 2 2 7 4 4 3 1 3 12 6 3 2 3 10 11 6 5 7 2 3 11 4 3 4 2 2 3 2 2 3 3 4 2 2 1 2 4 21 11 4 3 4 9 10 4 2 3 3 2 6 4 6 4 6 18 41 21 25 8 6 4 4 2 2 1 4 3 2 1 0 11 2 2 2 2 2 1 1 1 1 8 8 9 6 5 3 20 3 1 1 1 1 1 2 3 7 8 25 2 2 2 2 1 3 5 4 2 4 1 2 4 4 6 3 7 5 3 4 2 1 0 1 1 1 1 4 11 4 2 3 32 5 19 5 2 3 6 10 3 0 8 12 28 27 8 27 100 6 2 0 2 1 1 7 2 9 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 4 6 7 4 7 30 55 18 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 8 15 7 18 28 13 4 5 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 99 s 1H | 86 86 s 1H | 76 76 s 1H | 73 73 s 1H | 65 65 s 1H | 63 62 s 1H | 43 43 t 2H J 49 | 42 42 t 2H J 49 | 39 38 s 3H | 38 37 t 2H J 49 | 37 36 t 2H J 49 | 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.
Cc1ccc(C)n1C(=O)OC(C)(C)C
ir: 19 5 9 28 36 7 4 8 3 17 19 5 6 6 2 3 3 5 3 3 3 3 4 6 3 3 3 3 3 5 3 3 3 3 2 3 3 3 2 3 3 2 4 7 3 3 3 2 3 3 3 2 3 4 3 6 54 6 5 4 3 5 13 4 4 2 3 4 4 15 11 5 5 12 5 3 3 3 2 3 3 3 3 3 3 8 3 3 2 3 3 3 3 3 4 4 4 4 4 4 4 3 2 16 3 5 31 21 9 4 3 3 3 4 5 9 12 24 71 18 9 5 5 5 5 7 11 26 10 36 16 34 4 8 18 5 4 2 3 3 5 23 5 3 3 2 3 4 4 5 5 7 46 67 7 0 100 4 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 3 3 3 3 3 4 4 7 8 10 5 5 3 3 3 3 3 5 5 5 10 17 47 8 5 7 28 66 22 4 7 4 3 3 4 3 3 3 4 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 64 63 s 2H | 24 24 s 7H | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2cc(-c3ccccc3)cc(C(=O)OC)c2n1Cc1ccccc1Cl
ir: 4 3 4 2 3 2 2 1 3 1 1 2 4 2 1 3 2 1 0 1 2 3 1 3 4 1 1 1 2 1 3 2 4 3 2 2 3 1 2 10 7 17 53 5 2 2 2 2 1 1 2 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 3 4 3 2 2 2 1 0 2 3 8 3 2 1 1 0 0 1 0 0 1 1 2 6 5 3 2 3 2 2 1 1 1 1 1 1 1 1 2 1 3 4 1 1 2 2 1 3 2 3 4 2 6 8 4 2 3 4 7 4 9 7 5 1 1 4 3 1 2 2 5 4 4 8 5 5 33 18 4 5 9 10 8 2 17 11 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 6 8 5 11 100 14 5 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 22 | 81 81 d 1H J 22 | 76 76 m 2H | 75 74 m 2H | 74 73 m 1H | 73 73 m 1H | 73 72 m 3H | 55 54 d 2H J 7 | 39 39 s 2H | 27 26 t 2H J 70 | 17 16 p 2H J 68 | 15 14 m 2H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(OCCCCCO)cc1
ir: 5 5 7 6 5 5 6 6 3 4 6 5 5 3 4 2 1 2 2 2 1 2 3 3 6 4 6 5 4 4 5 2 3 6 3 2 2 2 3 2 2 5 4 2 2 5 3 2 4 4 3 12 10 37 43 49 25 6 11 8 3 5 3 3 2 7 10 9 4 18 25 14 22 8 15 20 18 11 6 3 7 5 6 12 30 47 64 100 32 34 28 12 6 16 6 9 7 3 8 2 4 4 2 1 3 3 1 3 3 13 20 9 4 4 4 5 4 7 3 6 4 4 2 6 4 6 2 4 4 5 1 2 2 1 1 2 3 1 1 2 2 1 2 4 11 26 64 11 2 6 10 7 30 5 5 3 3 2 1 66 6 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 11 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 1 2 2 3 4 7 4 5 5 4 4 5 5 5 11 18 53 36 61 24 15 20 17 5 10 16 36 9 7 4 6 3 6 3 7 3 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1; 1HNMR: 75 74 m 2H | 69 69 m 2H | 41 40 t 2H J 62 | 36 35 m 2H | 31 31 s 1H | 26 25 t 1H J 59 | 18 17 m 2H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O
ir: 6 6 2 3 2 1 1 2 2 2 1 5 15 4 2 3 1 2 1 7 5 3 2 1 5 2 2 2 1 4 1 1 2 1 2 3 4 4 7 4 2 5 8 4 5 6 4 2 32 16 2 2 3 3 2 3 1 1 2 2 1 1 2 2 3 2 2 2 2 4 3 2 3 3 4 5 1 1 2 4 4 1 1 2 1 3 9 7 2 1 5 2 1 1 1 3 3 2 2 2 1 2 8 2 1 3 2 11 3 2 1 1 2 4 11 3 2 3 5 6 2 2 1 1 2 1 1 15 3 5 1 1 1 4 82 8 2 2 2 2 2 1 1 7 12 1 4 6 10 100 15 6 1 8 31 1 1 2 3 4 8 2 2 11 8 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 16 8 6 5 9 8 32 8 8 13 7 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 18 | 82 81 dd 1H J 48 121 | 43 42 q 2H J 71 | 41 40 pd 1H J 17 63 | 14 13 m 2H | 13 12 t 3H J 70 | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCCOCCO)c1ccc(O)c(Cl)c1
ir: 5 2 7 5 2 11 2 2 6 2 1 2 2 1 1 3 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 6 1 2 1 1 1 1 1 2 1 1 1 3 3 1 1 1 1 1 1 1 3 2 1 2 2 2 2 2 1 3 11 3 2 23 3 1 2 2 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 0 2 1 2 7 1 1 1 1 1 1 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 2 1 1 12 1 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 6 4 2 1 0 1 4 0 100 8 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 21 | 78 77 dd 1H J 22 90 | 73 73 s 1H | 70 69 d 1H J 90 | 46 46 t 2H J 51 | 38 38 t 2H J 51 | 37 37 m 2H | 37 36 dd 2H J 41 47 | 31 30 t 1H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H](Cc1csc2ccccc12)NC(=O)OC(C)(C)C
ir: 1 1 2 2 2 1 2 4 2 2 4 1 2 3 1 1 1 1 1 0 1 1 1 2 9 5 26 6 2 1 3 4 36 15 4 6 3 15 55 5 1 1 14 13 2 8 1 1 0 0 0 0 0 1 2 1 2 3 2 6 2 2 2 1 3 2 0 1 2 0 0 2 1 1 1 13 2 1 0 2 1 2 0 1 1 1 0 0 0 0 0 0 0 1 1 3 1 2 3 2 1 2 2 4 1 0 0 1 2 1 1 0 1 0 1 1 1 2 3 11 2 3 3 4 7 18 4 4 9 10 7 11 2 1 0 1 3 1 0 8 2 3 40 37 6 41 53 8 8 11 10 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 0 1 1 0 1 3 2 3 4 7 13 6 10 13 5 3 11 2 2 1 1 1 1 0 0 0 0 1 0 0 0 0 3 3 2 7 8 31 100 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 ddd 2H J 14 69 145 | 75 73 m 2H | 73 73 q 1H J 8 | 62 61 d 1H J 75 | 61 60 q 1H J 49 | 44 44 dt 1H J 59 75 | 32 31 ddd 1H J 9 59 157 | 30 29 ddd 1H J 9 60 157 | 27 27 d 3H J 49 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
ir: 6 11 6 14 14 12 18 20 9 14 21 10 10 7 13 5 10 50 37 29 31 8 7 14 11 9 8 7 9 9 5 17 7 15 10 16 74 27 22 10 6 5 6 10 9 7 8 7 9 9 8 7 8 42 39 12 30 0 8 9 7 6 11 5 10 5 7 6 5 12 7 7 6 7 20 13 10 14 22 7 6 6 4 4 3 4 4 4 5 3 6 14 7 9 9 13 6 4 4 4 4 4 4 4 7 11 17 15 12 21 7 7 9 7 9 11 5 5 4 7 7 6 9 12 10 7 5 6 6 4 6 11 10 9 16 4 12 10 6 7 35 67 14 7 13 21 24 12 44 62 63 78 28 14 10 7 6 3 26 44 6 9 5 5 3 4 3 2 3 4 7 49 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 3 4 4 5 4 7 5 7 6 4 5 5 4 5 6 10 23 12 19 39 25 16 13 9 11 7 5 5 3 4 4 3 5 4 4 2 5 7 6 10 12 10 11 23 100 100 60 20 5 3 7 5 3 3 4 4 3 3 4 5 3 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 3 3 4 3 2 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2; 1HNMR: 87 86 d 1H J 48 | 85 85 d 1H J 72 | 75 74 d 1H J 46 | 73 73 m 2H | 69 69 d 1H J 13 | 68 68 m 3H | 64 64 d 1H J 66 | 61 60 d 1H J 64 | 43 42 dp 1H J 45 64 | 41 40 m 1H | 38 38 s 3H | 21 20 m 2H | 20 19 m 2H | 18 15 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCOc1cc(Cl)cc(Cl)c1)C(=O)Cl
ir: 2 2 17 8 3 1 0 1 2 2 0 2 3 2 1 1 2 2 1 1 2 1 0 1 2 2 1 8 21 63 18 1 4 42 7 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 5 1 1 1 1 2 11 2 2 2 4 1 0 43 57 63 43 10 1 3 8 26 3 5 6 1 2 4 2 1 6 3 3 1 3 5 3 0 3 10 16 2 4 8 16 10 3 3 2 0 1 2 2 1 2 2 7 3 2 3 16 1 1 4 2 10 17 6 39 12 6 26 10 3 8 7 3 2 5 14 19 8 10 3 9 3 5 3 1 1 3 12 13 86 13 8 2 1 2 1 1 1 2 2 0 26 100 19 64 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 5 4 2 4 7 3 2 3 3 4 2 3 6 8 12 44 22 79 75 53 20 7 4 4 1 2 2 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 71 t 1H J 22 | 68 68 d 2H J 21 | 43 43 t 2H J 58 | 40 39 hept 1H J 70 | 38 37 t 2H J 58 | 13 13 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O
ir: 2 3 3 2 3 1 2 2 2 2 3 1 3 3 1 2 2 3 9 5 1 1 2 1 1 1 1 1 1 2 1 1 3 5 1 2 2 4 3 1 3 4 2 1 1 4 6 63 15 1 2 2 1 2 1 2 1 0 1 1 1 2 1 2 1 1 1 3 5 4 1 1 1 5 2 6 3 1 1 1 1 1 1 2 2 3 6 16 9 5 12 3 15 14 5 5 3 2 2 2 4 2 2 1 1 1 1 1 0 1 2 2 6 3 3 1 1 1 1 1 1 3 7 6 2 4 2 3 2 4 6 4 1 1 1 1 1 1 6 7 12 2 1 1 1 1 1 0 9 1 1 4 11 19 6 9 2 1 1 1 2 24 1 0 1 1 1 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 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 3 4 4 4 43 17 9 9 2 3 3 4 100 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 t 1H J 9 | 81 80 dt 1H J 10 20 | 73 73 m 1H | 73 72 dd 1H J 15 81 | 72 71 m 2H | 43 42 q 2H J 71 | 41 40 td 2H J 9 62 | 40 39 q 2H J 8 | 39 38 q 2H J 61 | 37 37 t 1H J 57 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2cc(CBr)oc12
ir: 0 1 1 3 3 1 1 0 1 1 1 0 1 1 4 10 8 1 1 2 1 1 1 2 3 1 1 1 1 1 1 2 2 42 25 4 7 4 1 1 1 1 1 1 1 1 1 8 57 47 4 2 2 6 1 1 3 2 6 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 1 3 8 3 2 1 1 2 2 0 1 1 0 0 1 1 0 1 4 6 3 2 1 2 13 1 1 1 0 1 2 1 3 12 6 2 14 2 0 1 1 1 0 1 2 2 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 14 8 13 22 2 2 1 1 1 1 1 3 1 3 4 2 1 0 0 1 1 3 4 38 41 2 1 0 1 1 1 0 0 1 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 5 3 1 1 0 1 3 1 8 7 5 9 100 67 56 5 4 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddd 1H J 9 20 92 | 72 72 t 1H J 92 | 70 70 dd 1H J 9 93 | 67 67 dq 1H J 7 21 | 44 44 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(-c2ccc(C(C)(c3ccc(C(N)=NO)cn3)C(C)C)cc2)c1
ir: 17 7 6 12 21 11 19 10 25 20 8 13 13 9 13 18 6 10 15 29 16 20 29 9 13 16 5 11 5 19 18 4 15 12 10 3 9 7 34 9 4 4 4 5 5 2 2 2 4 1 4 3 2 13 15 9 16 10 15 13 3 4 4 12 9 4 4 8 6 13 16 9 2 3 3 3 3 4 3 2 11 4 6 9 13 7 6 4 2 3 5 3 3 2 3 2 2 2 4 15 14 23 8 4 4 6 2 2 2 2 1 3 1 10 11 3 3 4 27 10 10 4 3 11 4 3 6 3 1 1 2 2 2 3 2 1 4 13 18 18 4 10 5 8 1 4 5 8 20 18 10 25 22 30 65 14 10 18 9 4 4 5 19 3 2 0 1 1 0 1 0 1 1 0 1 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 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 2 1 0 1 1 1 1 1 2 3 3 2 9 7 15 15 37 32 12 4 2 1 2 3 23 8 3 2 1 2 2 3 5 9 14 37 7 4 3 1 2 1 1 1 2 3 40 100 9 4 2 1 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 17 | 86 86 d 1H J 19 | 81 81 t 1H J 16 | 77 76 dd 1H J 19 80 | 75 75 m 2H | 74 74 t 1H J 16 | 72 72 m 3H | 53 53 s 2H | 39 39 s 3H | 24 23 ddq 1H J 15 77 155 | 18 17 d 3H J 14 | 11 11 d 3H J 78 | 10 10 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)c(C(=O)O)c2)n1
ir: 8 2 4 2 1 2 2 1 1 1 1 2 2 2 3 5 6 2 2 2 2 2 3 2 1 2 1 2 2 2 2 2 4 1 3 3 3 1 1 1 2 3 2 3 3 8 4 3 2 2 1 2 4 10 12 17 9 2 2 4 59 47 23 10 12 13 8 10 7 12 17 13 4 3 6 11 6 2 2 3 6 8 1 5 11 11 7 5 4 13 12 10 6 7 17 25 28 18 9 3 3 6 1 2 3 10 12 4 2 2 3 3 2 13 18 10 10 17 10 9 13 14 5 13 18 7 6 5 8 8 7 14 8 6 4 5 8 14 2 3 7 13 6 7 2 6 13 6 4 2 6 3 9 2 2 2 1 1 1 3 4 1 2 9 2 3 2 2 1 1 3 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 4 6 7 6 6 6 5 7 7 5 8 7 6 18 35 58 31 20 64 100 20 6 7 6 9 7 59 22 9 9 4 5 2 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 87 87 d 1H J 49 | 86 86 dd 1H J 16 40 | 79 79 d 1H J 89 | 79 79 dt 1H J 9 19 | 78 77 m 2H | 73 72 ddt 1H J 9 19 89 | 72 72 ddd 1H J 16 40 70 | 70 69 dt 1H J 9 49 | 30 29 ddq 2H J 8 75 92 | 29 28 m 2H | 27 27 d 2H J 7 | 14 13 q 2H J 79 | 10 10 s 5H | 9 8 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN1CCN(c2nc(NC)nc(N3CCN(C)CC3)n2)CC1
ir: 1 3 4 4 6 2 2 2 3 2 2 2 1 2 3 2 2 3 2 4 2 3 1 2 1 2 2 2 2 4 3 3 2 2 1 2 2 2 9 42 17 3 2 1 2 2 3 1 1 2 2 1 2 1 1 1 1 2 2 2 2 4 2 3 2 2 2 1 3 2 1 1 1 1 2 2 2 2 2 3 4 6 12 1 2 3 1 2 1 1 1 1 1 1 1 1 2 3 2 3 2 4 5 2 2 1 1 1 2 2 5 4 2 2 1 2 2 1 1 2 2 2 1 4 3 3 2 2 2 1 1 2 2 1 1 2 2 3 2 4 4 1 1 3 6 5 0 9 13 61 100 5 1 3 2 1 1 2 2 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2 5 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 4 17 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 61 61 q 1H J 48 | 41 41 q 2H J 66 | 38 37 m 8H | 33 33 s 2H | 33 32 dt 2H J 56 110 | 32 32 dt 2H J 55 111 | 31 30 d 3H J 48 | 29 29 s 2H | 28 28 dd 4H J 60 68 | 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.
O=C1CCCCC1c1cc(C(F)(F)F)ccc1OCc1ccccc1
ir: 11 3 3 4 6 6 4 4 7 4 0 4 34 2 0 5 4 1 3 9 5 3 4 23 12 20 8 4 5 4 17 13 7 1 3 7 11 13 20 56 57 9 7 8 5 4 4 11 5 2 6 6 4 6 34 18 6 7 3 5 4 4 4 4 3 1 16 13 6 13 4 5 2 1 3 4 2 3 4 4 1 1 3 3 2 2 14 19 8 7 6 7 16 15 33 10 2 7 30 18 3 10 5 3 3 5 9 4 3 4 9 4 6 31 38 8 7 4 16 14 40 7 8 7 5 7 8 35 10 5 5 3 3 6 15 31 4 4 5 2 4 6 21 28 31 29 16 2 2 4 10 29 15 6 13 26 2 3 3 1 2 4 3 3 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 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 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 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 1 3 3 1 2 4 3 2 5 10 4 2 5 6 5 6 11 13 36 15 7 100 23 6 20 10 4 2 4 4 4 3 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 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; 1HNMR: 77 77 dt 1H J 9 18 | 77 76 m 1H | 74 73 m 4H | 73 73 m 1H | 70 70 d 1H J 76 | 51 50 d 2H J 8 | 37 36 dd 1H J 56 63 | 27 26 ddd 1H J 58 78 149 | 26 25 ddd 1H J 58 80 147 | 22 21 ddt 1H J 60 84 134 | 19 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
ir: 1 2 2 3 1 2 2 3 1 3 5 9 4 10 12 18 16 18 38 14 17 29 47 34 9 5 7 9 6 4 3 3 3 1 1 3 2 2 1 2 2 2 2 5 6 1 2 2 1 3 3 3 3 1 3 4 2 1 2 3 2 2 6 6 4 2 5 4 3 2 6 2 3 5 2 10 15 78 39 20 8 5 4 4 1 2 3 3 3 3 3 4 1 2 2 2 2 1 3 4 4 2 3 6 10 15 11 11 10 6 6 10 5 6 15 10 11 6 9 7 2 6 1 3 2 3 5 5 7 11 8 2 11 8 4 7 3 4 3 20 26 23 9 99 37 11 8 5 4 2 1 1 1 1 1 1 1 1 1 0 37 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 6 5 7 7 7 10 5 3 6 10 27 4 24 13 3 3 2 0 2 4 2 0 67 100 3 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 57 p 1H J 9 | 25 22 m 5H | 21 20 ddd 1H J 60 88 126 | 20 19 m 1H | 19 17 m 5H | 16 13 m 6H | 12 11 m 1H | 11 11 s 3H | 10 9 dddd 1H J 26 44 71 82 | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(O)CN(c2ccc(Cl)cc2)C(CN(C)c2ccc(F)cc2)=N1
ir: 17 17 8 3 18 12 5 8 2 11 14 10 9 11 13 11 7 6 6 7 14 18 6 2 1 4 4 6 3 6 4 5 9 6 10 7 3 2 1 3 2 3 1 2 3 2 1 0 1 2 13 4 2 7 59 71 13 10 4 4 4 5 6 5 4 1 3 2 6 8 4 10 9 13 14 32 17 11 22 9 15 18 14 18 7 10 19 8 9 8 7 12 9 8 19 3 9 8 8 5 3 5 10 22 8 1 6 15 11 6 5 9 12 5 7 21 13 9 5 4 2 6 6 6 6 2 5 5 4 3 4 4 2 3 4 3 2 3 1 1 1 1 1 2 11 23 14 10 22 100 34 5 18 17 2 3 2 2 1 1 1 0 60 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 0 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 1 0 0 0 1 0 0 1 1 0 1 2 1 1 2 2 2 1 1 1 3 3 5 4 2 3 3 3 4 7 23 20 38 61 45 8 12 7 2 10 7 6 23 8 5 2 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 70 69 m 4H | 69 68 m 2H | 46 45 s 1H | 45 44 m 1H | 44 43 m 2H | 43 42 m 2H | 42 42 d 1H J 115 | 31 30 s 2H | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(C(F)(F)F)cc(Br)c1N
ir: 9 6 7 15 10 7 7 3 2 2 3 2 1 4 3 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 3 2 1 1 1 3 2 3 1 7 65 16 4 2 1 1 2 2 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 12 2 1 1 1 1 1 2 1 1 1 1 3 3 6 3 2 5 11 2 1 1 1 1 1 1 1 1 1 1 2 12 14 4 1 1 1 1 1 1 1 2 2 1 1 2 1 2 10 4 2 1 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 40 1 1 1 2 2 2 1 15 84 100 10 0 1 63 4 1 1 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 3 4 7 3 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 10 4 1 1 1 2 1 1 1 1 2 2 4 66 13 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: 79 79 dq 1H J 9 19 | 77 77 dq 1H J 9 19 | 50 50 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(C(=O)OCCN3CCN(C)CC3)CC2)cc1
ir: 4 14 7 27 41 46 30 10 11 7 9 5 6 14 20 4 1 7 5 2 4 5 8 3 2 4 2 1 1 2 4 2 4 3 2 1 0 2 1 0 1 2 2 2 2 3 5 1 2 4 6 5 17 17 45 24 11 1 4 10 11 6 7 22 20 9 11 8 7 13 10 2 2 5 5 5 22 7 6 28 34 8 3 2 13 61 17 9 5 11 8 6 9 12 7 12 5 15 14 16 13 14 6 3 3 2 2 3 4 4 7 8 14 23 21 19 14 12 14 16 4 6 4 4 4 4 3 4 3 5 5 6 3 2 2 6 7 10 2 2 1 1 1 1 2 2 3 3 14 16 88 100 12 5 2 3 3 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 2 3 5 5 3 3 3 2 2 4 3 5 26 12 14 34 38 12 7 4 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 69 69 m 2H | 69 68 m 2H | 43 42 t 2H J 64 | 38 38 s 2H | 36 35 m 4H | 33 33 m 4H | 30 29 t 2H J 64 | 27 27 m 4H | 27 26 m 4H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(Cl)cc1-c1nc(-c2cc(Cl)ccc2O)n(Cc2ccccn2)n1
ir: 0 4 7 14 22 23 34 12 6 28 6 7 6 2 1 1 2 2 1 2 2 1 1 1 2 2 2 2 2 1 2 1 2 2 2 2 5 4 9 2 2 1 1 1 1 1 1 1 1 1 2 2 3 2 20 12 3 3 2 3 2 1 1 2 3 1 2 1 3 5 3 1 1 1 2 1 2 3 9 28 12 4 4 4 7 9 10 6 7 11 5 7 15 8 5 2 2 2 2 1 1 3 3 3 3 2 1 1 1 1 2 5 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 5 7 4 3 3 3 13 2 2 2 12 6 3 2 3 4 4 1 1 3 3 5 5 3 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 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 2 2 0 2 4 15 54 25 2 4 6 2 3 36 100 17 8 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: 98 97 s 1H | 86 86 dd 1H J 18 41 | 77 76 m 2H | 76 76 d 1H J 26 | 73 72 m 3H | 72 72 dq 1H J 11 67 | 70 69 m 2H | 57 57 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c[nH]c(CCC(=O)OCC)c1
ir: 4 4 1 2 2 2 2 4 5 3 10 10 5 6 4 3 1 1 2 3 7 3 1 2 1 1 2 1 1 2 1 3 8 2 1 2 1 1 1 2 5 12 12 40 59 13 4 2 2 2 1 0 1 2 2 1 3 5 1 1 1 2 1 3 2 2 2 2 3 3 1 3 3 9 13 5 2 2 1 1 1 1 1 3 1 1 1 1 2 2 2 6 20 5 31 15 13 6 10 16 24 10 5 2 2 1 1 2 5 2 3 5 9 11 4 4 7 6 4 6 7 7 7 6 4 3 3 5 8 7 5 5 5 8 8 5 2 4 2 2 2 3 3 9 100 29 6 3 3 2 4 3 5 4 1 2 2 10 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 4 5 6 2 3 3 3 5 3 8 7 19 7 5 3 8 69 9 13 8 4 2 2 3 2 1 1 1 1 1 1 1 1 1 2 4 3 2 3 9 41 26 6 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 d 1H J 70 | 65 64 ddt 1H J 9 18 70 | 57 56 dp 1H J 9 18 | 42 41 q 2H J 66 | 29 29 m 2H | 28 27 m 4H | 18 17 qt 2H J 62 76 | 13 12 t 3H J 66 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.