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COC(=O)c1cccc(NC(=O)c2cc3ccccc3[nH]2)c1O
ir: 4 14 4 3 5 15 8 21 24 4 3 6 3 3 1 3 6 3 5 7 10 3 4 3 5 4 12 24 10 8 11 15 17 16 11 75 65 21 39 46 24 9 29 64 41 14 4 22 67 6 6 5 4 9 4 7 2 0 3 3 2 1 3 3 4 8 9 21 4 3 8 3 2 2 3 4 2 2 3 4 4 5 5 6 4 5 13 50 6 3 3 4 8 19 60 30 10 9 8 4 2 4 35 29 6 12 9 10 1 4 8 2 15 16 5 14 1 14 15 8 2 2 3 13 2 2 2 2 3 2 3 2 3 8 16 18 5 2 2 6 28 100 30 6 11 22 5 8 70 5 15 39 25 22 20 4 3 5 3 4 4 3 4 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 1 2 3 6 5 4 5 6 7 45 82 35 10 39 92 12 7 7 6 4 4 5 4 3 3 3 2 2 2 6 7 8 23 35 49 55 54 22 16 7 4 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 99 99 s 1H | 92 92 s 1H | 82 82 dd 1H J 13 84 | 77 76 m 1H | 75 74 ddd 2H J 13 78 110 | 73 73 d 1H J 20 | 72 72 m 2H | 70 70 t 1H J 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnnc(-c2cccc(C(F)(F)F)c2)c1
ir: 1 1 2 1 1 1 3 3 6 2 1 3 5 3 6 2 2 3 1 2 1 2 2 2 3 1 1 0 2 7 5 28 21 11 3 2 1 1 12 1 1 0 1 1 1 0 2 29 22 3 4 2 2 1 1 0 1 1 1 1 1 2 3 0 22 23 30 13 4 2 2 2 1 1 4 1 1 2 5 3 3 28 3 2 4 1 2 7 7 1 1 1 1 1 1 1 2 11 50 68 5 1 1 1 1 1 1 1 1 1 4 23 100 4 3 3 3 5 7 3 2 3 2 6 12 5 1 1 5 6 5 2 2 1 1 1 1 1 1 2 16 33 6 27 6 1 1 1 1 1 1 2 7 4 4 2 3 1 1 7 1 1 1 2 4 4 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 0 5 7 14 36 19 19 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 16 | 83 82 t 1H J 21 | 80 79 ddd 1H J 12 21 80 | 78 78 ddd 1H J 13 23 105 | 77 77 dd 1H J 82 105 | 74 74 d 1H J 18 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)c2ccccc2Oc2cc(OCC(F)(F)F)ccc21
ir: 5 3 2 4 4 6 7 12 9 23 8 6 8 10 31 14 27 3 5 6 5 4 3 4 3 3 3 2 2 2 3 4 5 7 8 21 4 4 3 18 4 2 7 16 4 3 3 2 2 3 2 3 7 18 24 0 3 4 3 5 7 5 5 5 31 12 10 11 23 19 5 3 3 3 2 4 3 3 3 3 20 11 35 55 43 50 7 6 5 6 4 4 4 4 3 3 3 5 4 4 8 31 6 4 7 13 4 3 5 3 2 2 3 2 2 2 3 4 4 4 5 3 3 3 6 7 4 11 5 4 2 3 3 2 2 4 23 5 4 36 8 4 8 3 3 2 2 7 39 13 12 3 9 9 7 3 4 6 10 7 4 30 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 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 3 2 2 3 3 3 2 3 3 2 3 3 6 6 8 26 100 27 7 4 3 4 4 2 2 3 3 2 2 3 3 2 3 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; 1HNMR: 80 80 m 1H | 80 79 d 1H J 95 | 74 73 m 2H | 72 71 m 1H | 69 68 dd 1H J 24 95 | 68 67 d 1H J 24 | 48 48 d 1H J 130 | 48 47 d 1H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C=C(CO)CC[C@@H]1OC1CCCCO1
ir: 6 4 4 3 2 2 5 6 6 6 10 13 7 14 3 1 3 2 7 13 1 3 2 14 10 3 4 5 12 6 2 1 2 2 1 0 1 1 1 1 1 1 1 4 1 4 3 0 10 10 2 2 3 2 6 7 10 4 5 5 7 8 10 4 15 1 8 7 8 7 5 5 21 22 6 15 4 24 23 21 51 46 42 9 16 100 77 28 30 27 23 9 10 15 9 5 7 4 1 2 3 2 3 3 3 4 1 4 6 7 7 13 17 8 14 12 20 21 37 18 17 11 5 7 13 11 10 5 8 5 16 17 8 3 1 1 2 1 1 0 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 5 5 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 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 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 0 0 1 1 1 1 1 2 2 3 3 5 5 8 7 10 5 6 8 8 11 10 79 38 58 25 22 6 4 2 5 4 6 14 56 43 9 5 4 1 1 2 1 2 2 2 2 2 2 2 2 4 3 3 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 54 53 qt 1H J 10 21 | 48 47 t 1H J 30 | 40 39 dd 2H J 13 55 | 39 38 m 1H | 35 34 m 2H | 29 29 t 1H J 54 | 25 24 dddd 1H J 9 57 84 143 | 23 23 dddd 1H J 9 59 84 141 | 20 19 dddd 1H J 47 59 86 131 | 19 17 m 3H | 16 15 m 3H | 11 11 t 3H J 13 | 11 11 t 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12
ir: 0 1 1 1 1 4 2 1 0 0 1 1 17 1 1 1 2 1 1 0 1 0 1 4 1 1 0 1 10 7 2 17 4 20 2 0 2 4 1 4 9 2 1 1 1 14 10 2 2 1 1 1 1 1 1 2 1 1 1 0 0 1 0 0 0 1 2 2 0 0 1 1 2 1 0 0 0 1 0 0 1 2 1 2 1 5 3 16 5 2 2 4 1 2 2 2 7 6 0 4 1 2 1 0 1 8 5 1 1 1 1 1 1 1 0 1 1 1 3 1 1 1 0 2 1 2 1 3 1 1 1 0 1 0 0 0 9 1 0 0 1 0 1 1 11 6 3 1 1 0 0 2 100 1 2 0 3 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 1 1 4 3 3 2 2 1 1 1 4 2 1 0 0 0 0 1 0 0 1 1 2 1 1 3 5 8 19 16 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: 92 92 s 1H | 82 81 d 1H J 82 | 81 80 dd 2H J 85 135 | 78 77 d 1H J 22 | 74 73 dd 1H J 22 88 | 39 38 dqt 1H J 41 62 82 | 38 37 ddd 1H J 40 58 118 | 35 35 ddd 1H J 40 59 117 | 33 32 t 1H J 58 | 13 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(C)sc1-c1cccc(C(F)(F)F)c1
ir: 36 23 11 18 6 6 15 6 1 9 4 3 2 9 6 3 3 2 4 2 13 5 3 9 46 7 2 2 4 6 9 45 11 9 19 11 4 5 6 5 2 5 4 3 4 5 15 78 46 8 5 2 2 6 22 34 5 2 3 3 2 4 5 2 8 17 58 6 18 12 4 51 13 13 28 19 15 13 2 4 9 22 8 0 5 7 11 100 4 17 7 3 3 1 3 9 7 5 25 69 17 5 2 4 3 3 1 4 27 9 9 40 77 8 8 13 7 8 3 5 4 4 2 7 12 5 4 14 34 16 13 12 3 3 2 3 3 1 2 11 72 96 8 0 3 7 6 1 2 2 2 2 6 1 1 5 4 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 3 2 2 2 3 2 2 3 2 4 4 5 4 1 16 15 32 26 92 5 5 13 6 2 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 t 1H J 20 | 78 76 m 3H | 39 39 s 3H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)N1CCN(Cc2ccccc2)CC1
ir: 0 3 4 2 2 4 9 6 4 15 7 4 3 1 2 1 1 2 8 5 3 3 8 10 4 2 2 2 4 9 18 12 10 5 4 4 6 9 25 17 22 21 50 22 21 13 9 12 6 3 2 2 2 7 2 1 3 1 2 1 2 6 6 3 2 4 8 35 18 19 2 0 2 2 6 2 4 5 12 6 47 7 7 6 14 4 4 3 7 17 4 3 7 3 1 1 3 4 3 4 8 5 2 6 14 12 4 3 2 2 1 3 7 4 0 1 2 2 1 1 4 3 2 3 3 1 1 2 6 3 4 7 5 5 5 33 18 3 1 2 7 4 16 44 6 5 10 32 8 4 8 14 100 28 25 3 3 3 2 3 15 9 3 1 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 2 2 2 1 2 2 3 4 5 19 19 86 46 25 9 4 4 1 2 2 2 2 2 2 1 2 1 2 3 2 2 7 5 14 8 28 46 15 5 2 3 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 s 1H | 74 74 m 2H | 73 72 m 7H | 70 70 tt 1H J 11 68 | 37 36 s 2H | 34 33 m 4H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CC4)sc3c2)cc1)C(C)C
ir: 4 4 4 5 3 6 19 14 10 19 6 9 9 3 6 5 5 10 5 3 5 3 2 1 1 2 2 2 1 3 2 1 2 7 12 2 3 8 5 4 3 2 4 2 2 3 8 16 9 16 18 6 4 3 38 18 6 9 5 6 2 3 2 1 3 19 4 5 7 3 2 1 2 2 1 2 2 3 2 1 4 6 3 5 8 20 5 6 6 6 3 5 5 6 5 2 5 8 0 4 5 1 1 1 7 4 1 1 1 1 0 1 2 1 1 2 4 1 2 5 10 3 2 4 3 9 4 3 4 3 3 4 4 1 6 6 4 3 1 6 7 4 2 2 3 2 1 3 7 7 8 100 6 8 5 3 2 2 1 2 2 1 25 2 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 5 7 12 27 9 13 4 3 2 2 2 0 1 2 1 0 1 2 1 0 3 3 2 1 7 11 18 25 44 23 5 5 4 3 3 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 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: 96 96 s 1H | 77 77 m 2H | 76 75 m 2H | 73 72 dd 1H J 22 77 | 69 68 m 2H | 49 49 t 1H J 49 | 34 33 dt 2H J 42 49 | 29 28 m 4H | 25 24 p 1H J 55 | 12 11 m 2H | 11 11 d 12H J 62 | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)N[C@H]1CCCC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc2n1
ir: 15 4 5 4 6 9 9 4 4 4 6 4 6 11 5 3 3 3 4 4 5 5 5 8 4 4 4 4 3 6 3 5 5 7 5 3 3 5 3 4 4 6 5 10 3 4 4 8 11 19 9 4 17 11 9 2 6 12 48 29 63 0 7 7 4 3 17 10 4 2 4 4 15 4 5 3 2 2 4 6 3 8 3 3 14 4 13 3 4 13 8 6 6 3 3 2 2 2 3 2 3 3 4 5 7 3 6 6 11 4 6 8 4 5 6 3 11 7 7 7 6 7 7 6 4 5 4 3 3 3 4 7 5 3 3 3 3 4 3 10 38 5 4 4 5 14 100 25 10 11 10 30 21 53 6 6 5 2 4 7 8 5 3 3 3 3 2 67 3 1 2 4 2 1 2 3 2 1 2 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 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 3 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 3 2 3 3 3 2 3 3 4 3 4 3 4 4 5 9 5 5 6 13 8 41 11 3 6 3 2 5 5 3 3 3 2 3 2 3 3 2 3 4 3 2 8 4 17 64 34 90 37 10 2 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 91 d 1H J 17 | 82 81 t 1H J 20 | 81 81 d 1H J 80 | 79 78 dd 1H J 22 81 | 66 65 s 1H | 63 62 dd 1H J 106 161 | 60 59 m 2H | 58 58 dd 1H J 31 106 | 56 56 d 1H J 73 | 40 39 dddd 1H J 36 45 62 80 | 39 39 s 5H | 38 38 m 1H | 20 19 m 2H | 18 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)n1ccnc1
ir: 5 4 5 2 5 5 5 8 8 2 1 2 3 1 1 2 3 3 13 7 28 2 2 3 2 1 1 2 4 2 9 29 35 34 4 4 2 0 1 2 3 1 4 4 3 1 2 3 11 41 46 29 18 2 3 5 6 4 4 6 15 17 10 21 3 1 2 6 37 41 31 2 13 22 6 42 37 47 5 3 5 9 15 3 2 1 2 2 2 3 18 36 10 46 51 10 5 21 17 25 4 7 22 25 10 3 8 7 10 17 22 7 16 19 20 29 65 49 22 28 9 6 4 17 10 13 16 13 12 5 6 6 5 2 2 1 1 3 2 1 2 9 20 5 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 2 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 0 2 2 1 1 3 2 1 1 2 2 1 2 3 3 1 2 4 4 10 9 8 6 3 3 5 7 3 8 6 7 3 20 18 42 22 7 22 29 100 63 7 15 12 3 2 2 2 1 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 77 76 td 1H J 7 17 | 72 72 m 1H | 71 70 dd 1H J 17 41 | 48 48 m 1H | 43 41 p 2H J 64 | 15 15 d 3H J 59 | 12 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOC(C(=O)O)c1ccc(Cl)cc1
ir: 0 1 1 1 1 1 1 2 1 2 2 2 2 1 6 3 7 4 3 6 5 17 51 28 3 4 3 2 1 2 1 1 0 1 1 1 1 1 1 0 0 1 1 0 2 2 2 2 1 1 1 3 5 5 8 6 5 4 4 1 1 1 1 0 1 1 6 1 1 2 1 0 2 3 3 4 5 6 6 6 7 3 2 1 1 2 2 4 3 2 2 1 1 2 2 2 4 2 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 2 2 1 2 1 6 1 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 16 3 17 3 5 7 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 3 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 3 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 9 3 7 3 2 1 1 4 2 13 100 48 73 22 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 74 73 m 4H | 50 50 s 1H | 44 44 dd 1H J 25 81 | 43 43 dd 1H J 25 81 | 24 23 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H]3CC[C@@H](O)CC3)CC2)CC1
ir: 4 4 2 6 3 4 5 4 6 4 3 2 5 1 1 2 2 2 2 2 3 1 2 3 3 3 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 3 3 3 3 3 3 7 3 3 12 11 5 16 11 9 3 7 2 2 2 2 4 2 6 4 7 16 16 9 6 10 6 2 4 3 5 6 4 6 5 11 12 25 80 100 78 44 7 12 4 14 3 16 11 3 7 4 6 3 12 18 30 23 19 19 11 22 10 12 37 12 8 14 12 10 7 6 15 7 8 4 14 2 6 13 5 9 10 10 4 6 3 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 3 6 7 13 14 33 12 16 9 14 16 13 15 18 84 34 12 4 4 3 5 4 6 7 26 86 23 7 5 3 2 2 2 3 1 2 2 2 2 1 3 4 2 2 3 3 2 2 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 0; 1HNMR: 38 37 tdt 1H J 42 59 70 | 28 28 d 1H J 58 | 18 17 dddd 2H J 42 64 92 132 | 17 16 dddd 2H J 46 66 92 127 | 15 11 m 29H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)[nH]c1c(C)nc3c(c12)C(=O)CC(C)(C)C3
ir: 6 6 7 7 3 3 7 8 6 11 6 7 3 5 8 10 8 9 24 5 3 8 31 5 2 1 1 2 8 3 2 1 1 4 3 1 1 3 5 2 5 20 5 3 3 11 21 10 2 6 8 11 12 47 38 10 11 2 4 1 1 0 5 4 8 27 36 13 10 7 3 5 7 4 4 1 1 1 1 1 1 3 10 1 1 1 1 2 2 3 10 3 2 2 6 4 4 2 13 8 19 3 2 5 3 2 2 1 1 5 15 9 14 8 7 2 4 3 6 12 8 23 9 13 16 3 2 8 45 10 5 10 3 4 5 12 14 34 5 3 5 47 2 1 16 5 1 1 2 5 13 41 31 84 50 86 7 4 2 4 2 1 2 2 3 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 1 1 1 1 1 4 6 2 1 3 3 4 6 10 4 4 5 4 4 21 17 15 14 100 21 6 10 25 8 1 2 3 1 0 1 1 1 0 1 2 0 1 2 3 1 2 2 4 13 55 12 14 4 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 83 | 72 71 d 1H J 22 | 69 68 dd 1H J 22 84 | 38 38 s 3H | 31 31 s 2H | 29 29 s 3H | 26 25 s 2H | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1Oc1c(C(=O)O)[nH]c2ccccc12
ir: 2 2 1 6 6 7 5 6 3 5 2 3 2 13 5 3 2 2 3 5 3 2 11 54 14 18 5 2 2 2 2 1 3 4 2 4 2 2 3 3 4 3 9 19 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 4 4 8 18 6 12 3 2 1 2 1 2 4 4 1 5 3 2 1 1 1 3 2 2 2 4 1 2 1 5 2 1 1 6 2 1 1 1 2 1 9 4 0 5 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 4 14 2 3 2 1 1 6 5 10 2 1 3 2 12 6 3 32 4 31 23 7 39 21 4 0 14 32 3 3 2 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 2 2 1 3 5 7 20 16 3 2 2 2 2 1 0 6 100 16 5 1 1 2 2 2 0 31 2 2 1 2 1 3 9 6 4 10 33 71 53 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 14 74 | 75 75 m 1H | 72 72 m 2H | 69 68 td 1H J 15 75 | 68 68 td 1H J 13 76 | 67 67 dd 1H J 15 77 | 67 67 dd 1H J 12 77 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
ir: 2 5 5 2 0 2 4 5 0 4 6 4 3 4 3 4 3 5 6 7 10 15 5 3 3 5 9 16 8 21 36 15 14 19 10 11 19 29 40 38 50 22 14 17 6 8 7 5 4 5 7 7 7 24 24 24 22 13 7 3 2 4 3 1 3 4 5 6 12 15 4 3 4 4 2 1 3 3 3 5 3 3 2 2 6 10 4 5 3 3 3 3 4 2 1 3 7 3 3 6 18 10 31 3 7 5 2 6 4 2 1 3 4 2 2 5 7 7 8 5 9 5 9 8 23 13 5 4 4 3 2 3 5 2 2 3 5 3 5 18 26 40 14 29 54 23 23 33 14 30 30 33 12 10 7 7 4 1 2 2 2 8 3 5 13 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 3 3 1 3 3 7 3 6 9 7 9 12 10 19 100 26 22 13 5 7 4 2 1 2 3 2 1 3 3 2 3 4 5 4 5 7 15 38 88 54 16 9 5 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 92 91 s 1H | 79 79 m 2H | 77 77 dd 1H J 21 78 | 77 76 m 3H | 73 72 m 2H | 33 32 dd 2H J 39 54 | 28 27 p 1H J 51 | 25 24 d 3H J 10 | 23 22 m 2H | 20 19 m 2H | 18 17 m 2H | 11 10 pt 1H J 38 57 | 5 4 m 2H | 3 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C1CC(CCO)CCN1
ir: 2 2 4 5 4 6 6 5 46 11 9 6 7 3 5 6 2 2 3 2 2 3 2 1 1 2 4 2 12 4 33 34 16 2 1 2 2 1 2 2 2 2 2 1 3 2 3 16 4 1 1 2 1 2 2 1 1 2 3 8 2 2 2 1 2 3 2 3 2 2 2 2 2 2 2 2 2 2 22 25 2 3 3 2 2 4 3 7 11 15 16 5 3 4 2 3 2 2 1 2 2 1 2 2 2 3 1 1 6 2 2 5 0 13 4 3 4 4 3 4 3 3 3 3 3 2 2 1 2 2 2 8 7 16 3 2 2 8 14 5 2 1 1 2 2 2 2 2 2 3 35 54 11 7 3 4 2 2 2 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 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 1 1 2 3 5 2 1 2 2 1 1 2 1 1 2 4 1 0 2 3 1 1 6 100 10 4 4 4 7 5 5 11 8 11 44 20 11 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 69 s 1H | 66 66 t 1H J 28 | 37 36 dq 1H J 57 116 | 36 35 dq 1H J 57 115 | 35 34 ddt 1H J 26 52 126 | 33 33 ddt 1H J 26 51 126 | 26 25 dd 1H J 52 146 | 24 23 t 1H J 61 | 23 22 dd 1H J 53 147 | 20 19 m 1H | 18 16 m 2H | 15 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)cc(N(C=O)Cc2ccccc2)c1
ir: 19 14 2 8 14 7 4 10 13 6 0 9 22 25 10 20 14 7 5 13 15 6 3 13 12 7 10 15 11 4 4 13 32 36 29 80 29 7 16 16 23 29 33 20 11 2 8 12 8 0 6 16 8 5 10 15 8 0 8 15 13 15 12 13 8 5 13 24 27 7 27 39 62 45 56 13 13 19 13 14 18 12 14 10 6 5 10 11 17 58 22 26 9 45 34 21 16 25 20 9 2 6 12 8 1 6 13 11 64 62 30 14 4 10 16 9 2 11 16 11 3 13 14 7 4 9 13 30 28 23 16 8 6 14 21 29 11 18 13 4 3 19 55 99 38 15 10 12 6 11 10 3 6 15 10 4 8 75 55 37 47 24 9 3 6 12 7 0 6 12 6 0 6 12 6 1 7 11 6 1 7 11 5 2 7 10 5 2 8 10 4 2 8 9 3 2 8 9 3 3 9 8 3 3 9 8 2 4 9 8 2 4 10 7 2 4 10 7 1 5 11 6 1 5 11 6 1 6 11 6 0 6 11 5 1 6 10 5 1 7 10 5 2 7 10 4 2 8 9 4 2 8 9 4 3 8 8 3 3 9 8 3 4 9 8 3 4 10 8 3 6 11 9 2 7 12 8 3 5 16 12 5 11 23 52 39 100 96 89 54 24 18 9 6 10 12 7 4 7 9 5 3 7 9 5 3 7 8 4 4 8 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 9 7 3 5 9 7 2 5 9 6 2 5 10 6 2 6 10 6 2 6 9 5 2 6 9 5 2 7 9 5 3 7 9 5 3 7 8 4 3 7 8 4 4 8 8 4 4 8 7 4 4 8 7 3 4 8 7 3 5 9 7 3 5 9 6 3 5 9 6 2 6 9 6 2; 1HNMR: 85 85 d 1H J 11 | 73 72 m 6H | 71 70 d 2H J 21 | 68 67 t 1H J 21 | 52 52 s 2H | 23 23 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cccc2c3c(n(C)c12)CCN(C(=O)OC(C)(C)C)C3
ir: 0 15 21 21 68 55 8 15 28 45 36 36 6 12 17 8 3 12 15 6 3 11 13 5 3 10 11 4 4 12 11 5 6 17 12 20 9 12 12 3 6 23 10 2 6 21 26 16 15 25 17 4 9 13 8 2 8 15 15 1 11 18 20 9 10 15 6 2 8 12 6 2 14 31 24 9 10 15 11 4 11 13 5 4 10 13 4 7 12 13 7 16 15 14 3 6 13 13 4 7 13 12 13 9 17 10 7 9 14 11 16 22 16 14 7 22 52 29 23 62 28 16 14 45 59 73 60 55 27 19 20 24 21 12 11 23 13 14 13 29 14 9 7 10 9 28 8 19 10 7 16 56 100 0 4 15 19 6 17 27 8 1 6 13 8 1 7 13 7 1 7 13 7 1 7 13 7 1 8 12 6 2 8 11 5 2 8 11 5 3 8 10 5 3 9 10 4 4 9 10 4 4 10 9 3 5 10 9 3 5 10 8 3 5 11 8 3 6 11 8 2 6 12 7 2 7 12 7 1 7 12 7 2 7 12 6 2 8 11 6 3 8 11 5 3 8 10 5 3 9 10 5 4 9 10 4 4 10 10 4 5 10 10 5 6 11 10 4 8 15 12 8 11 14 13 5 8 17 12 3 15 17 21 13 97 72 27 78 75 14 9 7 8 10 7 4 8 10 6 5 8 10 6 4 8 9 5 4 9 9 5 4 9 9 4 5 9 9 4 5 9 8 4 5 10 8 4 6 10 8 3 6 10 7 3 6 10 7 3 6 11 7 3 7 11 6 3 7 10 6 3 7 10 6 3 8 10 6 4 8 9 5 4 8 9 5 4 8 9 5 5 9 9 5 5 9 8 4 5 9 8 4 6 9 8 4 6 10 7 4 6 10 7 3 6 10 7 3 7 10; 1HNMR: 74 73 dd 1H J 11 69 | 73 72 dd 1H J 62 70 | 71 71 dd 1H J 13 62 | 46 46 s 2H | 37 37 dd 2H J 42 49 | 35 35 s 3H | 28 28 m 2H | 26 25 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
ir: 11 7 6 22 10 4 8 6 2 4 6 5 3 2 1 3 5 25 15 8 4 1 5 8 6 3 5 5 3 8 26 17 12 12 9 87 15 9 22 70 39 19 85 42 11 5 8 0 1 3 12 22 23 4 4 3 6 20 11 10 8 13 26 9 11 12 11 9 25 11 19 21 10 13 29 13 3 7 14 10 5 6 3 6 36 15 30 86 36 92 62 44 8 8 12 15 10 12 12 16 10 4 8 4 2 3 14 17 8 7 29 23 21 8 9 17 19 7 27 12 4 11 19 11 15 12 9 7 2 8 36 18 13 27 100 23 11 27 50 20 7 8 6 2 12 7 32 48 10 3 10 7 3 12 24 26 20 8 2 3 3 3 1 0 1 1 0 0 1 0 1 1 0 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 0 1 0 0 1 1 0 1 1 1 1 0 1 0 1 0 1 1 1 1 2 1 1 2 2 2 4 6 13 6 7 5 8 6 6 11 14 28 31 23 38 84 30 25 7 1 2 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 20 48 | 76 75 m 1H | 75 74 m 2H | 73 72 m 3H | 41 40 m 3H | 40 39 d 1H J 137 | 39 38 tq 1H J 15 60 | 29 27 m 2H | 25 24 m 5H | 24 23 s 5H | 22 21 m 1H | 21 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(O)ccc1C1CCNCC1
ir: 6 4 5 6 10 11 6 8 14 16 9 17 13 17 9 4 10 15 13 11 15 15 9 2 1 6 4 4 2 3 2 6 8 9 8 2 4 9 2 0 9 26 39 11 5 7 2 6 12 12 19 8 18 48 33 36 30 7 9 10 9 7 6 2 3 6 31 28 29 9 7 4 10 8 4 5 5 9 37 77 37 23 73 37 41 10 2 4 5 6 18 18 20 11 4 5 4 4 4 4 1 2 2 3 4 2 2 10 6 6 6 21 21 17 61 45 94 52 11 10 11 6 5 3 4 13 13 20 25 17 14 9 16 8 5 4 2 2 1 1 1 1 2 6 10 2 2 2 4 7 31 11 11 39 10 3 1 1 1 1 2 15 3 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 4 3 4 3 2 2 5 5 3 5 4 2 4 1 3 4 5 4 4 5 34 25 28 62 68 14 4 5 2 3 5 32 58 6 6 3 4 4 2 5 6 12 60 100 8 3 5 3 2 1 1 2 1 1 1 2 1 1 1 1 2 2 2 2 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; 1HNMR: 71 70 dt 1H J 7 82 | 66 66 m 2H | 63 63 s 1H | 31 31 dddd 2H J 26 38 53 134 | 30 29 pd 1H J 7 60 | 29 28 dddd 2H J 27 38 55 134 | 25 25 s 2H | 25 24 p 1H J 38 | 22 21 dtd 2H J 27 57 139 | 18 17 dtd 2H J 27 57 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(N3CCCCC3)cc2c(N2CCOCC2)c1S(C)(=O)=O
ir: 7 9 8 10 9 8 8 10 9 9 8 7 9 15 10 6 24 5 5 5 6 6 8 12 14 10 7 6 6 5 6 6 6 6 6 7 13 15 8 7 6 5 5 6 6 6 6 5 7 11 10 8 6 7 27 16 53 0 14 20 6 7 6 9 10 13 11 16 15 33 19 29 14 16 10 6 6 8 15 21 6 5 9 5 13 100 12 8 7 11 11 7 7 9 6 7 9 25 11 10 5 6 8 8 6 28 19 7 7 8 8 7 7 7 6 7 6 10 19 9 15 8 9 7 7 6 6 7 5 6 6 6 6 7 9 6 5 6 6 6 6 6 14 9 5 7 6 5 5 7 6 4 26 31 12 61 8 7 13 6 5 6 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 8 10 7 6 6 7 7 7 6 7 8 8 9 14 28 22 14 20 19 15 10 7 6 5 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 76 75 d 1H J 78 | 73 73 d 1H J 22 | 70 69 dd 1H J 21 76 | 38 38 m 4H | 34 34 m 9H | 34 33 s 3H | 26 26 s 3H | 17 16 s 1H | 17 16 m 4H | 16 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@H](N)Cc2ccccc2)C1
ir: 7 4 7 4 4 3 7 4 11 7 35 28 10 26 21 39 30 11 25 33 24 34 30 60 36 18 36 20 8 19 25 6 5 10 3 1 1 7 10 3 9 6 11 5 4 3 7 7 5 2 5 1 2 4 3 3 2 3 4 3 8 8 21 26 71 63 8 5 16 32 14 14 35 13 8 10 20 52 41 67 58 46 36 11 4 4 3 6 30 100 45 34 11 6 6 5 6 5 11 6 2 3 5 7 8 2 7 6 9 12 10 8 10 11 7 14 20 20 12 10 14 13 10 19 14 38 18 5 6 11 43 64 39 100 62 45 15 5 9 7 6 15 14 12 4 2 7 51 52 5 14 99 13 5 2 1 1 0 1 2 1 1 0 1 1 0 1 2 1 1 1 2 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 1 1 1 0 0 1 1 0 1 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 4 4 4 5 2 4 3 3 3 5 4 5 14 16 29 33 22 23 38 8 11 11 3 4 12 87 87 9 8 4 7 17 33 18 47 9 8 8 9 15 95 71 9 5 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 73 m 2H | 73 72 m 3H | 40 39 m 2H | 38 37 m 2H | 37 36 ddd 1H J 41 59 117 | 36 34 m 4H | 33 32 m 2H | 32 32 s 1H | 30 29 ddt 1H J 8 63 143 | 28 27 ddt 1H J 9 63 145 | 21 21 s 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCN(CC#Cc2cccc(OC)c2)CC1
ir: 6 18 13 23 8 9 12 9 12 20 12 7 13 10 4 7 4 4 4 8 10 8 4 4 3 3 3 5 5 12 10 6 4 5 4 5 8 12 11 5 5 5 5 6 8 14 15 47 22 9 7 3 6 5 5 4 5 7 5 4 4 7 5 5 10 10 13 17 40 31 8 5 7 6 6 6 6 6 12 20 100 12 9 18 25 6 7 14 33 10 5 3 5 6 5 4 5 5 10 7 8 8 14 10 5 4 4 4 6 7 4 7 17 9 11 7 11 7 10 15 16 66 24 5 9 5 5 8 6 8 9 13 20 10 6 18 8 8 7 10 56 11 4 6 5 3 3 5 6 0 70 9 13 10 8 10 5 5 4 4 8 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 4 4 4 4 6 8 6 5 4 6 5 5 6 26 16 13 56 49 6 5 6 5 3 4 4 3 3 4 5 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 73 t 1H J 69 | 73 72 ddd 1H J 12 21 68 | 70 70 t 1H J 21 | 69 69 ddd 1H J 13 22 71 | 41 41 d 1H J 66 | 41 40 d 3H J 90 | 38 38 s 2H | 34 34 m 4H | 28 27 m 4H | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn2c(C(=O)NCc3ccc(Oc4ccc(Cl)cc4)cc3)c(C)nc2s1
ir: 6 5 27 12 20 14 7 9 5 22 4 8 3 18 11 5 3 1 1 4 3 1 7 3 2 1 1 2 4 2 1 5 8 2 3 2 1 1 2 1 1 2 1 1 1 1 2 2 3 1 7 5 21 15 100 26 41 25 6 4 12 7 10 3 2 2 4 9 8 45 4 1 1 2 1 7 3 4 2 6 9 10 4 4 2 2 9 5 3 13 3 2 1 7 5 17 12 29 12 3 0 2 2 1 0 0 2 1 0 1 4 11 4 2 2 3 12 12 18 9 55 68 10 8 7 7 9 6 2 2 2 1 1 0 0 1 2 2 1 3 24 28 12 5 3 8 38 13 85 10 1 8 43 4 1 1 1 2 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 1 1 1 1 2 5 2 1 2 4 3 2 5 3 3 2 5 7 20 29 11 35 73 21 17 27 18 27 17 6 2 1 1 1 0 1 1 1 1 2 3 3 2 2 7 5 35 28 6 2 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 t 1H J 52 | 75 74 m 2H | 73 72 dt 2H J 10 86 | 72 71 m 3H | 68 68 m 2H | 46 45 dt 2H J 9 51 | 27 26 s 2H | 25 24 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C)C(=O)C1CN(C(=O)OC(C)(C)C)CCC1=O
ir: 12 10 10 9 25 15 24 29 17 21 54 62 22 24 12 11 21 11 5 7 10 3 4 18 6 16 6 5 6 8 36 37 13 7 16 4 5 6 7 2 4 2 12 4 9 14 5 4 5 0 5 5 2 4 6 8 2 2 5 7 10 15 17 9 13 3 6 4 4 4 5 8 35 24 13 5 3 3 3 5 1 19 8 2 2 16 5 12 10 7 9 7 8 5 7 3 1 4 3 6 5 6 8 15 7 12 9 21 18 19 9 8 7 14 14 16 12 45 43 30 12 35 84 62 41 43 13 13 14 13 29 24 10 7 8 6 24 19 40 33 34 17 33 100 58 92 37 8 6 12 15 80 10 5 4 2 3 3 3 5 2 4 3 1 2 2 2 1 2 2 1 0 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 2 0 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 1 2 2 1 3 2 2 2 2 3 1 1 2 2 1 2 2 2 2 4 7 8 3 7 6 12 9 12 14 35 34 13 47 69 76 26 14 14 6 4 13 10 13 21 5 2 1 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 60 59 dddt 1H J 10 20 119 172 | 52 51 dd 1H J 26 174 | 50 50 dd 1H J 26 119 | 40 39 dd 1H J 40 115 | 38 36 m 5H | 30 29 ddd 1H J 40 62 145 | 28 28 ddd 1H J 41 62 146 | 15 14 s 8H | 13 12 d 3H J 9 | 12 11 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OC(=O)[C@@H]1CCCN1)c1ccccc1
ir: 4 2 4 3 3 3 5 9 10 5 2 9 26 24 5 5 3 4 2 4 8 6 4 5 4 2 2 3 7 3 10 7 4 6 3 4 5 2 2 3 4 21 5 9 5 2 3 6 8 6 7 11 5 5 6 6 2 1 7 10 16 14 7 9 9 10 19 41 7 17 9 5 2 3 2 3 2 2 4 6 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 2 1 2 5 6 9 3 7 7 5 9 15 42 24 16 9 9 7 3 6 6 38 80 19 11 6 7 24 13 6 3 3 2 1 2 3 1 1 1 10 2 0 2 3 1 3 11 13 100 56 24 19 24 5 3 2 1 1 3 3 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 1 1 2 2 2 1 2 5 5 2 5 9 8 21 11 61 14 9 4 2 2 1 1 2 2 1 1 2 1 0 1 2 3 2 33 68 7 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 m 2H | 77 76 m 1H | 76 75 m 2H | 39 38 dddt 1H J 18 29 47 64 | 38 38 dt 1H J 27 59 | 31 31 m 1H | 30 30 dddt 1H J 14 24 35 137 | 21 20 m 1H | 19 18 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4ccsc4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
ir: 8 11 3 1 4 2 1 1 2 2 5 2 1 2 3 3 3 1 5 3 4 3 3 4 3 2 11 10 3 8 4 1 3 7 17 17 7 2 3 5 11 7 2 23 5 3 3 7 6 4 2 2 1 4 2 1 1 3 2 0 4 3 4 3 12 8 11 11 8 9 11 3 5 5 4 5 2 2 3 4 5 5 5 3 1 1 1 1 1 1 1 2 2 7 12 10 4 5 2 3 19 28 33 19 19 33 5 7 3 8 5 12 6 10 8 4 5 5 7 5 6 11 11 18 14 29 30 20 11 4 5 3 2 4 2 3 2 4 5 6 7 4 37 3 12 6 3 1 0 2 1 0 1 5 3 0 0 1 1 0 0 1 6 0 1 2 1 0 1 1 1 1 1 1 1 1 3 1 1 0 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 4 2 4 3 7 8 8 17 11 25 23 15 45 100 42 21 23 37 39 15 7 4 3 4 3 3 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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: 89 89 s 1H | 84 83 s 1H | 78 78 t 1H J 17 | 76 76 dd 1H J 16 57 | 75 75 dd 1H J 16 59 | 62 61 dq 1H J 8 64 | 58 58 ddd 1H J 6 51 60 | 57 56 m 1H | 44 44 m 2H | 42 41 m 1H | 21 20 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(O)ccc2ncccc12
ir: 1 2 2 3 3 4 3 3 4 3 4 8 21 22 8 5 3 3 4 6 4 5 3 9 5 7 24 46 27 6 5 31 2 3 5 3 5 4 2 17 7 2 3 1 1 3 2 1 1 2 2 0 2 2 2 13 46 2 2 11 2 2 3 10 5 1 1 2 2 1 2 3 3 2 5 5 3 8 31 18 5 3 3 3 2 4 4 6 4 5 15 56 12 4 1 1 3 3 6 30 17 15 3 2 2 2 0 5 24 2 2 2 6 3 3 1 1 1 1 2 1 1 1 2 10 15 1 1 2 1 1 1 4 2 1 2 2 7 10 3 5 10 3 3 2 2 3 23 35 11 4 2 16 3 2 3 7 7 8 3 2 1 1 2 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 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 2 11 25 28 17 10 4 40 100 47 18 2 5 32 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; 1HNMR: 89 89 dd 1H J 22 40 | 84 83 dd 1H J 21 78 | 81 80 d 1H J 90 | 76 75 dd 1H J 41 78 | 70 70 d 1H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(O)cc1
ir: 11 8 11 4 2 2 1 1 2 6 4 3 1 2 2 3 1 1 1 4 1 1 1 1 2 3 3 4 23 29 20 6 5 5 1 7 4 4 6 8 3 1 1 1 1 1 1 0 1 2 4 3 6 3 7 19 6 4 4 1 2 3 1 1 7 5 1 0 1 3 1 0 0 1 1 1 1 2 7 13 20 15 5 3 3 2 1 12 23 4 2 1 0 1 1 2 1 3 6 3 3 1 0 1 1 0 1 1 1 1 1 1 2 2 2 2 10 5 11 9 10 11 9 5 4 3 3 8 9 5 3 5 1 1 1 1 1 1 0 1 1 0 5 27 18 37 6 9 6 28 13 2 2 1 1 1 0 1 1 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 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 2 1 0 1 1 1 1 1 2 1 2 3 4 8 1 7 9 4 1 2 3 2 0 3 100 6 3 2 1 1 1 0 0 0 1 1 1 1 2 2 11 48 10 4 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 s 1H | 71 71 m 2H | 68 68 m 2H | 59 59 d 1H J 81 | 56 55 m 1H | 37 36 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCO)Cc1ccccc1F
ir: 5 11 17 22 16 29 32 51 41 21 29 10 34 9 6 15 9 6 15 10 5 7 7 8 9 6 5 1 2 3 3 2 1 3 2 1 3 4 5 5 11 39 65 41 9 6 3 4 4 2 5 6 4 10 10 14 3 3 4 8 5 5 6 3 14 12 8 34 7 6 3 3 4 6 11 3 4 3 12 6 11 11 5 3 73 17 60 36 85 62 36 25 24 16 8 14 3 4 4 6 10 7 11 7 3 4 3 3 1 1 2 1 1 2 4 2 1 2 4 2 1 3 3 3 4 4 3 3 2 3 5 5 7 3 3 4 18 27 4 1 2 4 8 8 6 2 3 14 14 26 3 2 2 1 2 2 1 4 3 2 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 2 1 2 3 2 0 1 5 2 1 4 11 10 7 34 64 23 13 6 8 7 1 94 86 100 18 9 1 3 3 1 0 1 3 1 1 1 2 1 0 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; 1HNMR: 74 73 m 2H | 72 72 td 1H J 14 89 | 72 71 ddd 1H J 15 76 101 | 43 42 m 1H | 38 37 dd 2H J 8 38 | 37 36 q 2H J 58 | 28 28 t 2H J 58 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cl)(Cl)C(=O)N1CCC[C@H]1C(=O)O
ir: 6 2 3 1 1 1 2 5 5 4 4 3 7 8 4 3 12 14 11 44 26 57 100 11 7 5 2 2 4 19 8 6 2 1 1 2 1 2 1 2 2 1 2 1 3 3 1 1 1 0 1 1 1 1 1 2 3 5 4 4 2 1 1 2 1 1 1 2 1 0 1 5 3 2 4 9 19 11 60 63 10 3 18 7 7 5 4 2 4 2 3 4 7 12 7 4 1 1 1 1 2 1 2 1 2 8 17 12 3 13 21 8 1 4 11 3 1 3 3 2 2 4 2 1 1 3 9 12 1 2 1 8 3 1 2 1 0 1 1 1 2 3 9 28 9 9 25 4 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 0 1 2 1 1 1 1 1 3 1 2 1 2 2 4 4 19 1 1 1 1 1 1 1 1 0 1 1 5 42 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 44 43 ddt 1H J 19 38 56 | 38 38 m 1H | 37 36 dddd 1H J 18 28 43 124 | 23 22 s 2H | 22 21 m 1H | 21 20 m 1H | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(Cl)ncc(O)c3c2)c(OC)c1
ir: 1 1 3 3 5 4 9 4 5 24 1 4 2 9 7 3 1 4 10 3 2 3 2 8 4 7 20 5 2 1 1 6 33 5 2 1 1 1 1 1 5 1 1 0 2 1 1 0 0 1 4 0 1 1 3 20 9 5 1 1 1 1 2 4 2 3 10 4 12 2 2 7 3 1 1 2 1 1 1 0 1 7 2 1 9 28 8 10 10 12 67 8 3 2 4 2 1 24 6 13 2 5 3 1 0 3 11 0 0 1 1 1 0 2 7 1 1 1 1 1 1 1 1 2 5 9 19 6 8 5 3 2 1 1 1 0 0 0 1 0 0 1 1 2 10 1 1 0 0 1 8 0 0 1 10 1 0 1 0 2 0 1 1 0 0 0 0 0 2 1 0 0 1 3 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 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 0 4 1 1 1 1 5 7 5 7 100 11 5 2 1 1 1 1 17 3 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 d 1H J 24 | 85 84 s 1H | 83 83 d 1H J 97 | 82 82 s 1H | 80 79 dd 1H J 22 97 | 73 72 d 1H J 49 | 72 71 dt 1H J 9 86 | 67 67 d 1H J 49 | 66 65 dd 1H J 24 86 | 65 64 d 1H J 22 | 51 51 d 2H J 9 | 38 38 d 6H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C1CC(=O)C(C)C(SCCCCC)C1
ir: 1 1 3 2 2 1 1 7 12 2 1 3 1 3 15 8 3 1 2 10 2 2 1 9 70 16 2 3 2 2 1 1 2 1 1 2 2 2 2 17 13 3 2 9 6 5 1 3 1 6 1 2 3 2 1 4 11 36 3 2 2 4 4 10 6 5 4 8 7 2 6 4 3 32 59 13 14 21 5 5 2 2 1 1 0 1 1 1 1 5 1 2 1 2 3 2 7 17 17 15 4 8 20 24 47 10 9 10 11 4 3 6 10 8 6 5 23 23 49 24 18 13 30 19 36 13 4 2 1 9 11 23 11 6 5 3 4 11 9 6 3 3 6 46 55 28 14 6 3 1 1 1 1 1 1 2 4 15 5 4 2 1 2 1 1 0 1 0 1 1 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 2 1 1 2 3 5 4 7 12 10 17 10 15 13 18 29 68 39 100 75 43 11 3 5 2 3 5 70 11 1 2 2 1 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 49 48 tq 1H J 10 18 | 48 47 h 1H J 15 | 35 34 tdq 1H J 16 50 66 | 28 27 dtdq 1H J 17 55 73 90 | 27 25 m 3H | 25 24 dt 1H J 64 134 | 24 23 m 1H | 22 21 ddd 1H J 51 71 123 | 19 19 ddd 1H J 51 71 124 | 17 17 q 2H J 15 | 16 14 m 2H | 14 13 dtt 4H J 20 35 56 | 11 11 dd 3H J 15 59 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
ir: 4 3 3 4 3 4 4 1 4 3 14 3 4 4 6 3 5 3 4 3 5 7 3 7 17 10 2 4 3 4 26 3 4 2 3 1 2 5 22 26 6 1 4 14 78 3 4 1 1 2 3 1 1 1 2 1 4 6 2 3 1 2 4 13 17 31 24 34 11 9 10 2 21 21 4 4 4 4 1 3 2 1 2 1 1 2 1 1 1 1 0 2 6 4 6 1 2 3 3 2 9 3 3 3 4 2 0 1 3 3 3 3 4 3 2 3 5 17 7 31 13 11 16 18 26 22 16 10 21 6 10 8 0 15 17 4 4 6 1 1 2 4 4 2 25 8 9 29 11 31 2 2 2 1 2 1 2 2 17 3 6 29 100 16 41 2 2 2 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 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 1 2 2 1 1 2 4 1 2 1 3 1 2 2 3 9 20 6 8 45 28 14 18 3 3 2 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 1H J 22 | 83 83 d 1H J 22 | 56 56 s 1H | 37 36 m 5H | 34 34 m 4H | 30 30 s 5H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc(C(=O)O)s1
ir: 0 0 1 1 1 2 1 1 1 1 4 3 1 1 4 2 1 1 1 2 2 0 5 100 6 7 3 0 0 2 1 0 0 2 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 13 5 2 1 1 1 0 0 1 2 5 2 2 1 1 1 3 3 72 7 2 2 1 1 1 4 1 0 1 1 3 2 2 3 3 1 2 1 1 1 1 1 0 1 3 3 2 1 1 2 5 11 2 1 1 1 2 1 1 2 6 2 6 2 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 5 16 4 2 1 1 1 1 2 8 1 1 0 1 2 0 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 2 1 2 1 1 1 1 2 2 3 2 2 2 3 12 6 1 2 2 1 5 27 61 6 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 d 1H J 66 | 69 68 dt 1H J 8 67 | 28 27 td 2H J 8 69 | 17 16 p 2H J 70 | 14 12 m 11H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](NC(=O)c1cc(C(=O)C(Cl)(Cl)Cl)n2c1COCC2)c1ccccc1
ir: 2 2 2 1 1 2 2 1 1 3 3 2 6 6 8 5 3 19 8 4 7 11 18 3 2 4 4 4 1 6 6 12 17 12 5 4 2 11 37 67 19 40 15 5 6 20 51 26 15 20 11 5 3 2 12 6 3 8 2 4 2 2 3 1 2 7 7 5 4 4 3 3 8 2 4 7 3 2 4 5 6 6 2 1 2 2 1 2 9 8 5 2 9 2 2 3 4 4 5 1 1 1 1 2 1 1 1 1 3 4 8 3 8 6 4 7 3 6 5 9 3 5 8 10 8 10 5 5 3 2 4 10 4 3 7 44 5 6 22 20 3 27 100 38 58 7 4 38 16 2 5 7 7 2 2 4 16 4 1 3 1 10 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 0 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 2 1 2 4 6 2 3 3 3 2 2 3 4 11 17 15 25 53 17 15 32 3 3 3 2 1 2 2 1 1 2 2 2 1 2 4 1 2 3 3 5 7 13 44 49 12 5 3 2 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 6H | 71 70 s 1H | 49 48 m 2H | 47 47 d 1H J 137 | 42 42 m 2H | 38 38 m 2H | 20 19 dqd 1H J 49 72 135 | 18 17 dqd 1H J 49 71 136 | 10 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(=O)c2ccc(CBr)cc2o1
ir: 4 13 38 11 4 3 4 2 2 8 4 4 3 8 4 3 4 2 2 2 2 5 8 24 33 5 2 12 2 2 3 5 8 16 8 11 7 6 3 9 9 4 18 5 2 3 2 3 4 6 2 2 2 4 3 19 24 3 3 2 4 2 3 13 3 2 12 78 56 7 2 4 6 6 5 7 8 3 2 2 2 2 3 5 18 2 2 4 4 9 12 13 16 3 2 2 2 2 2 2 4 5 2 2 2 5 15 10 5 6 3 3 2 20 16 8 12 16 95 17 7 8 16 8 8 5 5 16 72 32 5 3 2 2 4 24 6 3 3 2 1 3 3 1 2 6 3 0 1 100 33 7 6 12 6 4 3 2 2 2 9 21 21 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 3 3 4 7 8 3 2 4 6 4 12 19 29 6 34 74 19 60 21 17 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 81 80 d 1H J 79 | 73 73 ddt 1H J 8 17 78 | 70 70 dt 1H J 8 18 | 68 68 s 1H | 45 44 t 2H J 9 | 42 41 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)oc2cc(OC(=O)N(C)c3ccccc3)ccc12
ir: 10 8 18 6 4 6 2 1 2 2 2 4 4 3 3 3 4 2 2 3 2 2 4 1 1 4 2 3 2 2 6 2 3 7 5 2 4 3 5 3 2 7 4 4 1 3 5 11 4 1 1 0 2 8 14 11 2 3 1 1 1 1 2 1 1 0 1 6 6 5 2 1 1 1 1 1 5 3 4 1 1 3 4 3 4 2 3 1 2 2 2 3 5 3 2 1 9 3 1 1 1 1 1 2 9 2 2 1 0 1 4 3 2 2 2 6 5 2 1 3 4 4 3 3 6 3 5 4 3 9 6 4 16 2 3 4 2 8 11 10 1 12 18 12 2 2 6 4 6 3 46 27 6 5 3 15 19 1 2 1 1 0 1 15 1 1 1 0 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 4 4 2 6 25 20 100 17 4 6 6 2 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 87 | 75 74 m 2H | 74 73 m 3H | 73 72 m 3H | 72 72 dd 1H J 70 92 | 71 71 m 1H | 39 39 q 2H J 11 | 33 33 s 2H | 26 26 t 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc2c(cc1OC1CN(C(=O)OC(C)(C)C)C1)N1C(=NNC(=O)[C@H]1C)CO2
ir: 7 4 2 3 4 4 4 2 4 4 1 2 3 3 6 10 17 20 56 37 9 8 5 8 2 8 49 14 6 3 3 6 34 24 38 5 9 5 4 1 2 4 3 4 6 10 8 5 4 1 3 4 1 3 5 3 2 4 1 4 1 2 3 3 3 7 9 52 21 14 3 4 3 4 3 4 8 3 2 1 3 2 5 9 3 1 3 6 5 8 11 8 2 4 4 12 3 2 2 1 2 1 3 4 5 5 5 23 2 2 4 5 2 5 3 6 34 30 16 5 8 8 8 1 2 3 12 10 15 7 18 14 9 6 4 3 26 6 1 2 1 1 1 1 2 0 0 1 4 45 17 27 100 7 7 8 2 4 25 20 2 2 1 0 1 4 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 3 4 2 1 1 2 2 6 3 3 9 2 6 18 15 6 8 8 12 5 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 16 21 10 36 6 3 5 3 0 2 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; 1HNMR: 96 96 s 1H | 69 69 s 1H | 68 67 d 1H J 9 | 50 49 m 1H | 49 49 m 2H | 48 48 p 1H J 31 | 42 41 dd 2H J 31 108 | 39 39 dd 2H J 31 108 | 32 31 pd 1H J 9 67 | 15 14 s 7H | 14 14 d 3H J 73 | 12 12 d 7H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CC(O)(c1ccc(Cl)cc1)c1ccccn1
ir: 2 2 2 3 3 2 2 3 3 5 2 6 3 5 2 5 3 5 5 4 6 4 6 4 4 2 2 3 3 3 2 2 3 2 2 3 2 2 6 11 3 2 2 2 2 2 2 2 2 1 2 2 3 3 9 4 2 2 2 5 2 2 2 2 3 2 2 2 2 4 2 2 3 2 2 1 2 2 2 2 2 2 2 4 4 2 2 3 3 6 3 3 1 3 2 4 2 5 4 3 4 3 2 2 2 3 3 3 2 2 2 4 3 2 2 2 6 4 2 3 2 2 3 2 2 2 3 3 3 3 2 3 4 3 3 4 9 2 2 2 2 2 2 2 11 5 2 4 3 3 2 2 2 4 3 1 1 21 2 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 1 2 2 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 2 2 2 2 2 2 2 2 1 2 3 3 2 8 5 7 12 7 6 4 0 22 100 16 7 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 dd 1H J 15 32 | 76 75 m 2H | 74 73 s 5H | 73 72 ddd 1H J 19 33 60 | 49 48 s 1H | 33 33 s 1H | 31 31 s 1H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCCC(N2CCC(c3cccnc3NC)CC2)CC1
ir: 8 16 15 7 2 23 7 6 8 19 25 22 6 4 11 7 3 3 3 2 3 5 2 1 1 2 4 5 3 3 2 3 2 8 2 4 10 14 100 68 21 0 4 7 9 1 2 3 4 4 3 4 2 1 2 5 6 2 2 2 2 10 7 5 4 3 2 4 3 2 2 4 9 3 4 3 3 3 7 4 2 3 12 7 4 6 4 3 13 9 2 3 1 3 2 2 5 3 8 4 4 7 2 4 6 6 2 1 4 3 3 3 6 9 13 6 5 6 9 9 14 8 10 19 10 7 7 6 6 13 9 8 7 5 11 13 8 16 8 43 92 24 9 6 3 3 2 2 3 4 14 14 9 5 12 40 42 26 16 6 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 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 0 0 1 1 0 1 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 1 1 2 4 5 4 6 5 4 2 1 3 4 22 7 6 23 48 9 5 1 2 2 1 1 2 1 1 1 1 1 1 1 2 3 5 9 5 4 12 52 94 29 16 4 1 2 2 2 3 2 2 2 5 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 82 81 dd 1H J 20 44 | 75 75 m 1H | 70 69 dd 1H J 44 81 | 58 57 q 1H J 48 | 41 40 q 2H J 66 | 35 32 m 4H | 31 30 m 4H | 28 27 m 3H | 26 25 ddd 2H J 57 84 126 | 22 21 ddt 2H J 60 86 121 | 19 18 ddt 2H J 59 84 125 | 19 17 m 1H | 18 16 m 2H | 16 15 m 2H | 15 14 dtd 1H J 72 88 122 | 12 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=Cc1ccc(Oc2ccccc2)c(C(F)(F)F)c1
ir: 5 2 1 1 0 1 1 1 3 2 1 0 0 1 1 1 1 1 1 2 1 1 1 1 0 1 1 2 1 2 2 1 2 2 1 1 5 3 3 20 10 10 4 11 1 3 1 2 1 1 1 1 1 13 26 6 2 1 1 0 1 2 1 0 1 1 1 6 5 8 1 1 1 4 1 0 1 1 1 1 1 1 0 1 1 0 1 3 18 4 3 2 1 2 1 1 1 1 4 65 23 3 3 2 29 3 2 37 2 3 27 1 1 0 0 0 1 0 0 1 1 4 5 2 4 7 1 1 1 1 1 1 1 0 1 16 2 0 0 1 1 2 8 7 11 3 2 1 3 12 1 18 5 0 1 1 1 0 1 12 1 0 0 2 3 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 0 0 1 0 0 1 1 0 0 1 1 1 2 6 6 33 100 13 8 5 3 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 83 82 d 1H J 23 | 78 78 dd 1H J 22 77 | 74 73 m 2H | 72 72 d 1H J 77 | 71 71 tt 1H J 14 75 | 70 70 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C[C@H](F)C(=O)OC)CP(=O)(OCc1ccccc1)OCc1ccccc1
ir: 11 7 13 17 7 8 6 3 2 8 12 7 8 2 1 10 2 3 3 5 7 6 4 3 2 2 3 11 10 7 15 19 10 12 6 5 6 5 23 41 100 10 11 17 9 7 5 4 6 16 6 7 3 2 4 3 9 3 3 9 6 2 2 2 2 14 13 42 25 32 48 10 14 5 30 11 7 0 25 64 89 3 2 2 1 1 2 3 44 5 3 3 2 7 12 8 10 16 5 4 4 3 13 6 11 12 13 3 13 5 6 7 9 5 6 4 5 14 23 12 4 20 9 4 15 18 14 8 11 4 3 2 3 3 16 53 8 3 3 3 3 9 10 19 36 33 41 7 2 3 2 2 3 2 2 0 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 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 1 1 1 1 1 1 2 2 3 5 3 4 6 8 13 9 2 6 2 4 7 8 18 18 17 8 74 43 23 9 1 2 3 3 2 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0; 1HNMR: 73 73 m 11H | 51 50 m 5H | 50 49 t 1H J 72 | 38 38 s 2H | 36 36 s 2H | 31 29 pd 1H J 29 92 | 25 24 m 2H | 23 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@]1(c2ccc(Br)cc2)CC1(c1ccccc1)c1ccccc1
ir: 2 2 2 2 2 2 2 2 1 3 2 3 2 3 4 10 6 8 7 8 20 47 7 3 3 2 2 2 4 2 2 4 6 2 8 5 2 3 7 5 11 19 3 2 2 15 2 2 2 2 2 2 6 9 4 10 28 14 7 2 2 3 2 5 2 2 2 4 5 11 2 2 3 2 3 4 4 4 24 1 5 6 8 1 4 4 3 3 2 13 4 4 2 2 2 1 3 3 2 3 3 2 1 1 2 2 1 1 2 2 1 1 2 2 2 6 5 2 3 3 11 3 3 3 6 3 1 2 2 1 1 4 6 4 4 44 0 3 2 2 2 2 13 26 11 15 11 31 7 2 2 6 5 3 3 2 2 2 2 2 3 2 2 2 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 2 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 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 6 1 5 15 12 100 21 18 7 6 4 4 2 2 69 68 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H | 74 74 m 2H | 74 72 m 11H | 27 27 d 1H J 123 | 25 24 d 1H J 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(CN(C)C)ccc2c1C1=CCCCC1
ir: 21 17 7 17 13 4 3 10 7 14 28 18 7 12 12 3 4 4 1 4 6 4 7 4 2 2 1 2 3 7 29 32 5 1 1 4 10 15 2 9 13 3 3 4 5 10 4 7 30 18 17 1 11 12 23 31 57 1 7 14 8 3 6 17 28 55 23 37 19 10 41 43 17 19 6 7 8 21 9 23 12 2 3 5 7 6 31 19 8 7 18 45 28 13 9 20 5 12 18 12 2 25 19 12 4 6 4 4 7 20 9 3 7 20 9 21 10 11 29 30 13 24 11 7 10 4 13 8 10 33 44 24 19 13 10 7 7 5 13 5 8 10 79 24 77 29 9 5 6 26 7 7 71 29 11 4 30 10 23 41 2 2 2 0 1 8 23 2 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 0 1 2 2 1 1 2 2 1 2 3 2 4 6 6 4 6 8 6 9 6 7 14 7 7 11 60 40 15 27 100 87 18 8 5 7 3 3 3 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 80 80 d 1H J 85 | 76 75 d 1H J 8 | 74 74 dt 1H J 9 86 | 61 61 tq 1H J 9 46 | 57 56 s 1H | 43 41 m 2H | 40 39 d 2H J 9 | 28 27 m 2H | 26 26 s 5H | 25 24 s 3H | 22 21 m 2H | 18 16 m 5H | 13 12 t 3H J 64 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(F)c(C(O)CCc2ccccc2)c1
ir: 2 3 1 3 2 4 2 4 4 7 9 2 4 8 1 2 2 2 1 2 2 2 2 1 3 3 3 3 3 6 14 9 4 5 2 5 4 3 56 17 37 6 4 7 3 3 2 3 2 1 2 3 3 3 38 24 3 0 2 3 1 0 2 5 5 3 3 3 8 14 7 9 3 2 5 3 2 2 8 2 2 2 6 12 5 6 9 21 19 55 22 10 8 4 7 5 4 5 16 4 4 5 2 2 1 1 2 2 1 2 5 3 2 7 4 3 1 3 4 3 2 3 7 12 3 5 7 2 1 1 2 1 4 4 9 28 2 2 3 2 4 9 39 43 9 4 3 1 7 21 3 6 3 9 3 1 1 2 1 1 4 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 3 2 3 3 3 1 2 2 4 0 4 6 9 12 31 100 35 15 6 5 3 4 4 47 4 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 ddd 1H J 7 22 31 | 76 75 ddd 1H J 22 36 84 | 73 72 m 6H | 51 50 dddd 1H J 34 43 56 62 | 37 37 d 1H J 49 | 30 29 dtt 1H J 9 88 135 | 28 27 dtt 1H J 9 88 135 | 23 22 dtd 1H J 60 88 147 | 21 20 dtd 1H J 60 87 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)OC(CCC)CC(=O)NCC(=O)N[C@@H](CO)C(=O)O
ir: 3 3 3 3 2 1 3 2 8 5 13 10 8 7 8 6 2 6 11 8 4 100 17 4 6 10 2 3 4 3 3 2 3 1 4 6 7 13 5 8 13 10 14 4 4 5 5 2 3 3 1 2 2 2 5 3 2 2 1 1 1 2 1 0 1 2 1 0 1 1 0 1 1 1 0 0 5 6 12 2 5 2 1 1 1 2 6 5 5 4 3 5 10 11 8 5 6 14 9 9 2 5 2 1 1 2 1 3 6 2 2 1 5 2 3 4 4 2 4 4 4 3 24 11 7 3 3 3 3 1 0 3 6 2 1 1 1 1 1 4 15 10 21 22 34 43 27 4 4 6 1 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 3 4 3 2 2 1 2 1 1 3 9 4 2 0 2 5 4 28 53 20 9 10 6 41 3 3 1 1 1 1 1 1 2 2 6 2 11 30 16 6 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 92 | 73 72 t 1H J 61 | 50 49 m 1H | 42 41 dt 1H J 48 94 | 41 40 ddd 1H J 49 56 121 | 40 39 t 1H J 56 | 39 38 m 3H | 28 27 dd 1H J 70 168 | 25 24 dd 1H J 70 169 | 23 22 m 2H | 18 17 m 1H | 17 16 h 2H J 77 | 16 15 m 1H | 14 12 m 2H | 10 9 dt 6H J 77 208
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C=O)ccc1-c1cccnc1
ir: 20 5 9 6 9 3 2 2 2 2 5 5 2 4 5 5 3 5 15 7 10 5 4 2 4 16 35 29 10 8 10 7 11 26 24 19 16 15 9 8 12 10 2 1 1 2 1 1 1 2 1 2 2 9 4 24 69 43 42 13 18 14 27 51 7 1 9 8 11 11 10 12 13 8 10 3 4 17 12 5 2 2 1 2 2 2 2 2 6 4 2 2 1 1 2 4 7 2 1 1 2 3 2 2 11 28 35 9 4 12 88 45 100 15 13 6 3 3 7 5 24 29 7 15 11 3 2 3 2 2 2 5 7 6 8 4 19 29 11 41 16 7 2 2 1 1 2 5 8 28 4 48 14 9 21 13 6 3 46 15 2 9 19 6 4 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 5 1 2 2 1 2 4 5 2 5 7 3 3 10 5 18 35 83 29 31 34 10 7 2 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 87 86 m 2H | 80 80 dt 1H J 19 70 | 75 74 dd 1H J 48 69 | 72 72 d 1H J 70 | 66 66 d 1H J 70 | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCc1ccc(CBr)cc1
ir: 0 1 2 1 2 3 7 2 1 2 1 1 1 1 1 1 5 2 2 6 11 3 1 1 1 1 1 1 5 2 1 0 1 4 8 12 5 5 3 5 8 4 5 3 2 2 4 3 3 2 2 2 4 2 13 13 100 24 6 3 2 2 1 0 1 2 1 1 1 23 1 1 1 1 1 1 1 1 1 0 1 1 0 0 3 1 0 1 5 2 1 2 18 56 4 8 3 1 9 4 3 1 2 4 9 31 24 6 7 15 7 7 12 6 2 6 10 5 9 23 6 3 11 7 8 10 9 3 2 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 8 8 35 3 1 4 14 2 1 1 1 0 1 1 1 2 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 3 2 2 3 15 11 20 6 4 3 2 2 7 16 63 29 11 90 91 48 5 6 13 4 3 2 4 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 dt 2H J 9 78 | 70 69 dt 2H J 9 78 | 45 45 d 2H J 10 | 26 26 tt 2H J 10 81 | 17 16 p 2H J 76 | 13 12 m 19H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1CCN(C2CNC2)C(CO)C1
ir: 4 4 3 3 3 3 1 1 1 2 4 2 2 1 3 3 2 3 2 4 6 3 3 2 2 2 2 4 2 6 5 12 9 6 17 22 11 13 6 11 10 18 27 22 6 9 12 7 11 16 26 16 8 20 8 13 3 4 3 6 4 1 9 5 3 8 6 7 15 12 4 8 3 10 8 2 4 4 5 5 4 5 14 27 13 6 10 10 46 34 100 27 23 7 8 15 9 10 4 5 4 5 5 7 35 65 18 5 2 1 1 1 1 2 6 4 2 6 7 7 12 21 19 21 14 5 4 5 2 4 11 9 14 11 7 10 5 2 8 5 3 3 6 23 2 4 7 22 7 3 3 2 4 2 1 1 1 1 1 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 2 3 4 2 4 8 2 5 12 15 16 13 9 3 6 4 6 6 14 6 2 3 2 1 1 1 2 1 2 4 54 40 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 75 74 m 5H | 38 38 dt 1H J 56 104 | 37 36 m 2H | 36 35 t 2H J 51 | 36 35 m 1H | 35 34 dd 1H J 51 108 | 33 33 p 1H J 52 | 32 31 m 2H | 31 31 m 3H | 29 28 m 2H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc([C@@H]2C[C@H]2NCc2ccccc2)cc1)c1cccc(-c2ccccc2)c1
ir: 1 1 1 1 1 1 3 1 1 1 1 2 3 6 1 2 1 1 1 2 4 4 5 4 4 4 2 1 2 6 14 6 4 5 5 11 6 9 23 35 94 34 29 12 8 9 5 19 6 7 6 5 3 7 8 15 30 15 3 1 1 3 1 2 1 5 8 7 6 14 2 1 7 4 3 5 4 6 4 1 2 2 3 2 1 1 1 1 1 7 3 4 3 1 3 2 4 3 7 1 2 3 3 19 16 6 2 1 2 2 3 6 7 23 32 12 3 4 7 6 4 2 3 3 3 6 6 13 10 13 7 3 3 3 6 4 3 3 3 14 6 7 16 18 8 10 5 19 11 5 8 12 16 25 4 4 1 0 2 2 16 3 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 2 4 2 7 9 27 85 43 17 9 4 4 2 4 2 1 1 1 1 2 3 2 3 2 4 15 100 33 8 15 21 17 3 4 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; 1HNMR: 85 84 s 1H | 83 82 t 1H J 21 | 79 78 ddd 1H J 15 22 77 | 77 76 t 1H J 80 | 76 75 m 4H | 76 75 s 1H | 75 74 m 2H | 74 72 m 4H | 72 71 m 4H | 40 39 ddt 1H J 8 40 139 | 39 38 ddt 1H J 9 40 139 | 30 29 tdd 1H J 49 60 69 | 25 24 dt 1H J 40 70 | 19 18 dt 1H J 62 73 | 17 16 dt 1H J 60 82 | 15 14 ddd 1H J 49 71 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCCC1(C)COC(C)(C)O1)C1CCC2C(=O)CCCC21C
ir: 11 7 6 19 17 10 8 8 3 7 13 5 14 17 46 30 38 14 9 6 9 5 17 7 3 4 8 6 3 3 3 2 5 8 9 10 2 3 11 5 17 6 23 7 7 3 10 6 10 5 7 5 8 7 10 5 3 10 11 11 11 8 13 4 13 31 8 16 20 13 18 8 5 2 2 3 2 1 2 3 1 2 3 7 8 13 16 11 9 7 3 8 8 8 19 29 11 33 41 13 30 25 11 34 51 17 40 29 20 36 24 11 23 24 63 24 40 26 20 33 24 31 27 37 42 18 48 25 47 60 38 28 11 16 12 22 7 8 6 5 12 8 14 100 16 14 18 10 12 4 3 4 4 2 1 3 2 0 1 3 2 0 1 2 2 0 1 2 1 0 1 3 2 0 2 2 1 0 2 2 2 0 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 2 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 3 1 2 4 2 3 3 13 12 18 9 16 28 15 23 35 16 20 24 36 43 100 96 21 28 24 10 6 4 8 2 2 3 5 2 2 2 1 2 2 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 39 38 d 1H J 115 | 36 36 d 1H J 115 | 26 25 tq 1H J 15 48 | 25 24 m 1H | 24 23 m 1H | 18 16 m 7H | 16 15 m 1H | 16 13 m 15H | 13 12 s 2H | 12 11 m 1H | 10 9 dd 3H J 13 66 | 8 8 t 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1ccc(C(=O)N(C)OC)c(OCc2ccc(Cl)cc2Cl)c1C
ir: 4 2 1 2 2 1 0 2 4 2 1 2 1 2 1 3 2 2 1 5 3 3 3 4 4 1 1 2 3 1 1 3 1 0 1 1 1 1 5 8 4 2 1 3 1 1 1 2 2 3 2 8 14 13 14 14 5 4 3 5 6 5 3 2 2 1 11 10 9 7 6 6 6 5 6 3 1 4 5 3 2 1 2 2 1 1 2 1 1 1 3 5 5 4 3 2 1 2 2 4 1 3 1 1 0 1 1 1 0 1 1 1 2 2 2 1 0 2 4 5 4 5 13 8 3 3 4 2 2 2 2 1 1 2 4 1 1 1 1 1 1 4 12 2 1 3 4 2 25 12 3 3 23 19 2 0 1 2 1 0 17 3 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 2 1 9 10 15 100 27 4 2 2 2 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 77 76 d 1H J 90 | 75 74 dt 1H J 9 84 | 74 74 d 1H J 21 | 73 72 dd 1H J 21 83 | 68 67 d 1H J 88 | 52 52 d 2H J 8 | 49 49 s 2H | 36 35 s 3H | 35 35 s 3H | 32 31 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCCCN1C(=O)C(=O)c1cccs1
ir: 9 4 10 5 4 15 3 20 16 9 3 3 12 7 1 10 6 10 1 2 4 1 4 11 5 2 1 3 13 5 59 7 8 8 18 92 29 100 49 18 20 12 3 4 3 19 9 3 3 4 2 3 3 10 3 3 3 2 2 3 2 1 2 3 4 7 11 21 9 2 2 4 4 2 2 5 5 2 7 2 2 1 2 2 1 1 2 2 2 2 9 4 0 16 24 15 23 61 11 6 4 31 11 2 3 3 3 3 3 4 30 53 77 43 13 22 13 8 5 9 6 19 5 6 11 9 11 5 7 10 6 90 26 7 26 5 5 2 2 9 32 54 7 18 100 12 23 5 6 73 3 3 3 3 16 7 2 1 1 2 2 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 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 2 2 2 1 2 1 2 2 3 2 3 2 2 2 5 5 5 3 6 7 9 6 10 41 18 2 4 5 5 47 73 17 10 13 3 2 2 3 2 2 1 2 2 2 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1H J 16 64 | 77 77 dd 1H J 17 54 | 72 72 dd 1H J 54 63 | 48 47 t 1H J 64 | 37 37 s 2H | 36 36 m 1H | 34 34 ddd 1H J 39 63 125 | 22 21 m 1H | 19 18 m 1H | 17 16 m 2H | 16 15 m 1H | 15 14 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OCC(=O)O)cc1-c1noc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12
ir: 2 3 1 2 1 5 2 2 2 1 2 2 1 3 1 1 2 2 3 2 4 7 1 2 2 1 1 1 2 2 1 1 3 2 3 2 4 3 4 5 4 4 6 2 13 0 18 8 8 4 7 4 3 9 8 1 2 1 1 0 1 1 3 2 1 5 63 15 29 5 6 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 4 5 2 5 14 7 8 5 5 4 6 3 12 18 5 15 3 1 1 0 1 2 1 0 0 2 3 1 1 5 7 4 7 2 2 1 2 1 2 1 1 1 4 2 2 1 5 2 2 6 1 2 1 2 0 6 4 15 13 2 2 1 2 2 5 5 15 5 1 4 9 0 1 1 1 1 100 7 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 0 1 1 3 3 5 2 8 31 31 12 4 7 53 14 3 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; 1HNMR: 92 91 d 1H J 46 | 75 75 d 1H J 121 | 72 72 dq 1H J 10 85 | 71 71 d 1H J 28 | 69 68 dd 1H J 27 86 | 60 59 q 1H J 13 | 47 47 s 2H | 34 33 s 3H | 25 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)C(Br)c1ccc(OCc2ccccc2)cc1
ir: 7 5 6 5 2 2 1 1 1 2 1 3 3 1 1 1 1 1 0 1 1 3 0 1 0 1 1 2 3 6 8 11 1 3 3 2 2 1 5 11 21 6 2 1 2 7 1 7 5 1 4 4 1 1 2 23 4 2 1 1 0 1 1 1 0 1 4 1 2 7 0 0 0 1 0 0 1 1 3 0 1 1 0 0 1 3 2 2 16 4 1 1 0 1 1 6 1 3 5 1 1 1 0 1 1 1 1 1 3 4 1 0 1 0 0 0 1 2 1 2 4 2 1 2 1 1 2 1 1 1 0 1 2 1 5 11 3 1 1 1 1 7 8 38 7 2 4 6 3 2 2 4 5 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 7 4 10 15 100 20 6 4 1 2 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 13H | 69 69 m 2H | 53 53 d 1H J 11 | 53 52 m 2H | 51 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCOC(c2ccccc2)(c2ccccc2)CC1
ir: 1 2 4 3 11 3 31 34 9 19 7 16 5 7 2 4 10 6 2 8 3 1 0 1 2 1 1 1 4 18 9 8 19 8 3 5 2 4 4 5 100 98 16 2 3 6 3 3 2 1 1 2 1 1 2 1 2 1 1 1 1 1 7 2 1 3 3 13 8 11 12 4 3 6 6 2 2 5 13 12 2 2 3 2 1 1 1 1 1 2 3 1 2 1 2 2 3 1 2 2 5 2 2 1 1 2 2 1 7 5 4 4 15 14 14 25 6 20 12 13 43 18 3 5 5 6 5 6 6 7 1 4 3 8 4 57 1 10 7 2 1 4 5 20 46 16 4 2 3 7 27 17 7 11 2 2 1 0 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 3 5 4 2 5 2 4 5 6 22 21 31 76 42 0 4 4 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 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 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 4H | 73 73 m 4H | 73 72 m 2H | 41 40 q 2H J 65 | 39 38 t 2H J 62 | 36 35 m 4H | 24 24 t 2H J 73 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(=O)n(C)c2sccc12
ir: 0 11 23 11 0 11 20 8 1 12 23 8 2 12 18 7 2 13 17 7 3 14 16 6 3 14 16 7 7 20 23 7 6 16 14 3 6 16 13 3 7 21 21 16 54 42 36 13 14 20 12 1 9 20 10 0 10 20 10 1 10 20 9 2 11 18 8 1 12 18 9 3 13 17 7 3 13 16 6 4 15 15 6 4 14 15 5 5 15 14 5 7 17 14 3 6 16 13 3 7 18 12 2 8 17 11 2 10 22 13 4 10 24 14 7 14 27 16 4 13 20 9 2 12 18 10 4 13 26 13 20 18 28 11 7 19 18 14 10 22 24 6 5 14 14 4 19 14 29 5 7 15 13 15 96 41 100 17 10 21 12 3 8 17 11 2 9 18 10 1 10 19 10 1 10 18 9 2 11 17 8 2 11 16 8 3 12 16 7 4 12 15 6 4 13 15 6 5 14 14 5 6 14 13 5 6 15 13 4 7 15 12 4 7 16 11 3 8 16 11 3 9 17 10 2 9 17 10 2 10 17 9 2 10 17 9 3 11 16 8 3 11 15 8 4 12 15 7 5 12 14 7 5 13 14 6 6 13 13 6 6 14 13 5 7 15 12 5 8 15 12 5 8 15 12 4 9 17 11 3 10 17 13 5 15 19 12 9 16 27 17 8 14 16 9 4 11 15 8 4 12 15 7 5 12 14 7 6 12 14 7 6 13 13 6 6 13 13 6 7 14 12 5 7 14 12 5 8 15 11 4 8 15 11 4 9 16 10 3 9 16 10 3 10 16 9 4 10 15 9 4 11 15 8 5 11 14 8 5 11 14 7 5 12 13 7 6 12 13 7 6 13 12 6 7 13 12 6 7 14 12 5 8 14 11 5 8 14 11 5 9 15 10 4 9 15 10 4 9 15; 1HNMR: 72 72 d 1H J 60 | 69 68 d 1H J 60 | 37 36 s 3H | 31 30 q 2H J 73 | 12 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCCCc2nn[nH]n2)cc1
ir: 3 7 3 4 3 4 8 9 3 3 3 2 1 2 3 2 4 4 3 5 5 3 3 1 1 2 2 1 1 2 2 3 4 4 7 10 10 4 3 1 2 5 4 1 4 10 6 18 50 100 38 32 28 13 24 38 14 1 8 8 4 4 7 16 4 3 3 3 2 16 3 4 2 2 1 1 2 3 2 1 1 2 1 1 1 3 16 24 10 3 2 2 3 3 1 2 5 16 8 7 51 36 13 8 8 5 12 23 13 12 8 7 2 2 3 3 3 3 8 8 5 4 5 3 4 5 4 3 3 2 1 2 3 4 9 9 50 67 38 34 9 8 3 2 2 3 3 0 43 16 3 4 11 4 7 3 3 1 1 2 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 5 3 2 2 1 2 4 4 13 10 11 49 80 8 3 5 4 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 11 11 97 54 12 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H | 70 70 dt 2H J 9 86 | 68 68 m 2H | 38 38 s 2H | 30 29 t 2H J 80 | 27 26 tt 2H J 9 78 | 22 21 p 2H J 81 | 19 18 p 2H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)c1
ir: 2 3 1 3 2 2 2 2 5 2 2 6 3 5 3 5 13 8 4 1 5 8 7 5 2 1 1 3 9 2 37 8 2 4 5 6 4 2 2 1 1 2 3 2 12 7 5 1 4 3 1 1 3 4 11 1 1 1 1 1 1 2 1 2 4 12 15 7 2 1 2 1 2 3 1 1 1 1 2 2 5 2 1 1 1 1 5 2 3 1 6 2 0 2 7 0 1 0 1 2 2 0 1 0 0 0 0 1 1 2 5 1 0 1 1 1 2 3 2 11 4 2 3 1 1 9 3 1 3 1 1 1 0 1 1 1 1 1 2 32 27 8 1 1 4 8 5 0 0 13 3 4 4 4 1 5 3 27 67 11 3 8 24 4 1 1 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 4 4 14 70 42 2 5 3 1 2 1 1 1 1 1 1 1 0 2 1 0 46 14 1 1 0 2 3 3 7 14 2 3 100 73 10 3 1 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 85 | 77 76 m 2H | 75 74 m 2H | 73 73 m 1H | 71 71 dd 1H J 22 86 | 62 62 s 2H | 24 23 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(Br)c(Nc3ccc(Oc4ccccc4OC)cc3)nc2cc1OC
ir: 0 0 0 1 0 1 1 1 0 1 2 4 1 1 1 0 0 1 2 2 0 1 1 1 1 1 1 1 1 2 4 1 1 2 4 2 2 1 1 2 1 1 4 6 3 1 4 9 6 4 1 0 1 1 2 3 8 7 2 1 1 1 1 1 1 1 1 2 4 10 3 5 2 2 2 1 1 1 0 1 0 1 0 1 2 0 0 1 1 1 1 1 1 1 0 0 0 0 2 1 1 1 3 2 2 12 4 2 8 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 0 0 0 0 0 1 5 2 1 12 3 6 4 1 1 1 2 8 2 5 14 3 6 7 100 6 1 1 1 1 0 0 1 7 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 11 31 13 4 2 1 1 0 1 0 1 1 0 0 0 0 1 1 2 2 1 2 7 3 3 18 14 2 4 2 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 83 83 d 1H J 22 | 74 74 m 2H | 72 72 d 1H J 21 | 72 72 td 1H J 12 78 | 72 72 s 1H | 71 71 dd 1H J 12 80 | 70 70 td 1H J 11 77 | 69 69 m 2H | 69 69 dd 1H J 12 79 | 39 39 d 6H J 9 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(O)c1ccc(OCc2ccccc2)cc1
ir: 5 5 7 5 3 4 3 3 2 4 6 3 5 4 3 2 4 6 1 2 3 0 3 4 3 1 1 3 2 4 4 4 2 2 2 2 3 5 4 6 7 8 2 1 2 1 2 1 1 2 3 3 5 8 8 14 3 1 1 2 1 0 1 3 2 0 6 5 2 10 2 3 2 4 6 1 1 1 1 2 1 0 2 4 4 8 7 17 13 14 16 20 5 3 4 5 3 5 3 3 1 1 1 1 1 2 1 1 1 2 4 1 2 2 2 2 1 3 4 2 5 2 2 1 2 2 4 4 3 4 2 3 5 10 10 9 2 1 1 1 2 2 7 14 44 4 5 5 10 8 4 3 2 2 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 1 1 1 1 1 2 2 2 1 1 1 2 1 3 3 2 1 1 3 2 2 1 3 2 3 11 10 16 46 15 10 4 4 5 39 55 100 23 14 3 5 3 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 2 1 1 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: 74 74 m 2H | 74 73 m 2H | 73 72 m 3H | 69 68 m 2H | 52 51 tdd 1H J 9 54 75 | 51 50 d 2H J 9 | 42 41 q 2H J 66 | 36 35 d 1H J 57 | 30 29 dd 1H J 75 172 | 27 26 dd 1H J 75 172 | 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.
NC1CCN(CCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1
ir: 2 2 9 6 2 3 8 1 1 1 6 2 1 1 1 1 2 2 2 2 4 10 2 1 0 1 0 2 2 8 19 4 19 9 2 3 3 4 8 19 13 100 9 2 3 10 4 0 1 2 4 7 2 4 13 3 4 5 1 12 11 22 4 7 22 14 4 3 7 46 6 3 2 1 2 4 12 9 7 16 10 3 2 4 1 7 1 1 2 9 30 15 2 1 3 1 1 1 2 3 1 1 2 1 3 10 28 40 16 25 3 4 6 2 3 4 4 5 18 19 9 6 6 39 13 5 13 9 10 4 3 4 10 37 11 32 14 3 3 1 2 1 9 21 73 11 9 3 2 2 1 3 24 4 1 1 1 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 1 1 1 1 1 2 2 3 2 13 16 18 6 4 3 7 3 8 12 82 37 26 86 47 18 2 3 3 1 1 2 1 2 1 1 2 3 3 2 3 2 3 33 9 13 5 4 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; 1HNMR: 89 89 s 1H | 76 76 m 2H | 75 75 m 2H | 74 74 ddt 2H J 14 71 88 | 73 72 m 4H | 34 33 t 2H J 68 | 31 30 tt 1H J 38 55 | 29 28 ddd 2H J 55 82 124 | 28 27 m 4H | 19 18 dddd 2H J 39 56 82 136 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(C2(O)c3ccc(Cl)cc3CC(=O)c3cccnc32)CC1
ir: 15 6 7 8 9 8 2 9 12 7 8 9 10 10 5 11 8 13 6 15 16 17 10 21 28 39 72 42 17 7 5 11 11 12 3 14 6 3 17 15 32 13 43 13 7 4 3 6 5 3 7 12 18 39 45 32 9 15 6 9 7 16 34 20 5 3 6 37 11 3 7 7 3 0 27 9 4 4 22 11 10 11 18 7 6 7 29 16 14 17 81 57 21 12 13 17 10 10 24 44 100 18 22 21 8 4 12 7 1 19 18 19 8 16 10 18 3 11 21 23 27 10 19 17 13 11 9 8 8 7 10 13 18 25 32 25 18 9 15 17 20 12 8 5 35 14 6 2 3 9 40 23 5 13 30 46 4 24 10 3 3 9 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 5 2 4 8 11 8 5 9 8 3 8 20 19 7 27 78 71 23 82 31 33 26 15 6 4 2 5 5 3 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 86 86 dd 1H J 21 36 | 80 79 dd 1H J 21 70 | 75 74 dd 1H J 36 70 | 72 71 m 3H | 48 47 s 1H | 46 45 m 2H | 35 35 ddd 2H J 57 84 119 | 30 29 ddd 2H J 57 84 119 | 25 24 p 1H J 64 | 23 22 s 2H | 21 20 dddd 2H J 57 64 84 122 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)ccc1Br
ir: 3 4 5 4 13 12 7 6 4 4 4 4 8 8 5 4 4 8 5 4 3 4 4 3 3 4 5 4 3 5 5 4 5 21 90 10 17 13 4 4 4 4 4 3 4 4 4 3 5 8 5 0 51 50 6 7 6 9 4 5 5 4 5 5 7 6 8 24 25 10 15 6 5 5 5 6 5 5 5 6 9 4 5 6 8 6 15 11 5 4 4 4 4 7 10 4 4 4 6 7 4 4 4 4 4 5 4 4 4 4 5 4 4 4 5 11 16 12 6 6 5 5 4 4 4 4 6 6 6 5 6 8 10 21 62 100 30 5 4 5 5 4 5 16 13 8 5 11 51 29 20 6 4 4 5 27 53 7 5 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 6 6 5 5 5 4 5 5 6 5 5 5 7 23 8 19 22 31 83 8 5 6 5 7 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 77 77 d 1H J 71 | 72 72 d 1H J 73 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1cnc(Br)cn1
ir: 9 9 9 13 11 12 21 20 16 10 9 9 9 10 11 16 80 70 11 9 9 9 9 9 12 18 8 12 9 9 8 9 9 9 8 8 9 9 9 8 8 9 8 8 8 8 9 9 8 9 9 9 10 10 9 9 9 9 9 9 9 9 9 9 11 9 9 9 13 76 79 8 12 15 13 16 9 10 12 15 37 100 68 9 13 9 10 11 15 13 37 26 11 9 8 9 9 9 9 9 8 29 20 31 15 10 12 21 14 11 8 12 11 10 11 10 12 11 8 10 11 9 7 10 11 13 22 13 16 10 0 86 51 14 15 8 7 10 12 11 32 13 11 8 9 23 30 14 9 10 10 9 10 10 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 9 8 8 8 9 8 8 8 9 9 9 9 9 9 8 9 9 9 9 10 11 10 8 10 18 21 34 35 13 10 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 88 87 s 1H | 85 85 s 1H | 77 77 d 1H J 167 | 66 65 d 1H J 165 | 42 41 q 2H J 62 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCC1CCC1
ir: 1 2 4 1 1 2 3 1 1 3 2 2 1 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 0 1 2 2 1 2 3 4 0 1 2 2 0 2 18 2 2 4 4 2 1 5 13 3 1 3 3 2 1 2 3 13 2 3 3 4 1 2 3 2 4 17 12 40 14 22 22 23 17 13 8 2 4 6 3 10 4 5 3 14 5 4 2 1 2 3 4 4 1 3 1 0 1 2 2 6 3 5 3 3 1 2 1 6 2 2 1 1 3 4 1 2 2 4 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 4 3 6 4 8 7 13 6 6 6 6 5 4 1 7 6 7 6 3 5 5 4 14 100 57 58 47 60 25 0 5 8 4 3 4 9 2 2 3 3 2 2 2 3 4 3 6 6 2 2 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2; 1HNMR: 36 35 dt 2H J 49 60 | 23 22 t 1H J 60 | 18 16 m 3H | 16 15 dddd 2H J 50 74 86 122 | 16 15 dt 2H J 50 64 | 14 13 dtd 2H J 51 81 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(C)C(=O)c1ccc2c(c1)OCC(=O)N2C
ir: 5 3 3 8 8 5 1 3 5 4 11 4 2 2 1 2 4 10 4 4 4 6 21 21 4 4 8 2 2 2 3 3 3 2 7 15 9 6 6 37 3 1 1 1 2 1 1 1 1 5 13 2 2 3 7 12 16 8 3 3 2 1 2 10 11 25 5 5 14 8 14 7 4 7 2 1 2 1 3 3 1 1 1 1 1 0 1 1 0 1 1 1 4 3 1 2 3 5 5 2 1 5 5 3 11 15 10 19 8 11 9 2 3 2 3 2 3 5 17 31 17 15 8 11 8 10 8 10 22 9 15 11 10 6 14 4 4 2 4 6 12 44 29 27 25 10 21 6 3 7 100 2 8 9 15 6 2 2 1 0 1 2 1 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 1 0 0 1 1 1 3 1 2 2 5 2 3 3 2 6 2 4 4 21 29 4 12 15 74 10 6 3 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 1H J 21 80 | 74 74 d 1H J 81 | 74 73 d 1H J 20 | 47 47 s 2H | 37 36 h 1H J 78 | 37 36 s 3H | 35 35 s 2H | 30 29 dd 1H J 81 163 | 27 26 dd 1H J 81 163 | 12 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1nn(-c2ccccc2)cc1Cl
ir: 20 6 3 7 5 6 8 7 6 7 7 7 6 7 9 6 6 7 7 6 13 7 20 8 11 7 7 6 6 7 10 14 42 16 7 6 6 8 7 5 6 21 84 11 7 7 7 6 6 7 11 7 6 8 6 5 6 8 6 4 8 0 7 8 8 25 22 16 11 16 7 8 7 6 7 7 23 11 23 6 7 7 6 6 7 7 6 6 8 32 8 9 10 7 7 7 7 7 15 32 8 7 6 6 7 7 6 7 11 7 6 7 7 7 6 9 7 7 6 7 7 6 6 6 7 6 6 7 8 7 7 7 6 7 9 37 9 7 7 8 100 9 7 8 7 10 8 7 7 9 8 17 32 5 6 7 7 5 6 7 6 6 6 7 6 6 7 7 6 5 6 7 6 6 6 7 6 5 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 7 6 6 7 6 6 6 8 7 8 9 9 35 76 20 11 68 9 15 7 7 8 8 7 6 6 7 7 6 6 7 7 6 6 6 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7; 1HNMR: 82 82 s 1H | 77 76 m 2H | 75 74 m 2H | 74 74 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
ir: 5 6 5 5 4 4 3 4 4 7 7 19 10 5 4 5 4 8 7 4 7 12 7 14 21 9 5 4 4 4 4 4 4 4 5 6 11 5 5 4 4 4 4 4 4 4 5 7 6 4 4 4 4 5 4 4 7 15 32 10 10 4 5 5 5 6 5 5 4 4 6 6 4 4 4 5 6 9 8 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 5 11 10 7 6 4 4 4 7 8 4 4 4 4 4 4 8 8 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 13 6 4 3 3 4 4 4 3 8 69 70 7 0 41 32 58 100 52 3 4 5 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 3 3 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 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 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 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 5 5 4 5 8 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 19 22 12 7 7 6 13 21 9 7 4 4 5 10 41 31 22 5 6 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 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 98 98 s 1H | 70 70 s 2H | 32 31 t 2H J 71 | 30 29 s 5H | 18 17 tt 2H J 61 70 | 15 14 m 2H | 14 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)nc(Cl)n1
ir: 14 14 13 10 5 5 6 6 4 7 7 7 5 8 8 15 16 11 6 5 6 4 5 5 4 5 4 5 7 16 26 24 17 3 5 13 100 97 11 0 3 7 8 3 4 6 7 20 17 8 5 3 4 5 4 3 4 5 4 4 4 9 8 14 8 15 21 7 10 8 4 3 4 5 4 8 6 6 11 5 5 6 6 7 6 4 4 4 14 17 3 4 5 13 41 4 7 6 21 20 23 17 9 6 6 10 5 4 6 10 9 5 5 5 5 7 7 6 3 6 6 10 10 9 6 16 5 10 12 26 12 6 5 7 5 7 10 40 29 10 10 12 24 27 6 5 5 5 5 3 4 6 9 24 17 15 11 6 46 6 5 6 4 6 10 5 5 5 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 3 3 4 4 3 3 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 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 5 12 9 13 34 26 14 8 9 8 6 4 4 5 5 4 4 4 4 4 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 84 83 s 1H | 75 74 m 3H | 73 72 ddd 1H J 15 22 68 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)[C@@H]1CC[C@H]2CCc3ccccc3C(=O)N2C1
ir: 5 3 0 3 13 6 2 3 7 10 1 7 7 3 2 4 11 7 8 15 10 30 7 5 6 4 2 5 7 6 31 20 30 3 5 7 5 2 12 24 84 26 19 40 15 3 3 8 4 1 3 4 4 1 7 5 3 0 4 6 2 0 3 5 3 1 4 4 3 5 4 7 3 1 4 6 3 2 4 4 2 3 6 6 6 7 7 5 4 30 9 6 3 10 7 4 4 3 6 5 7 9 7 5 1 7 28 42 12 16 16 16 15 10 19 7 2 6 13 18 17 14 15 11 7 18 14 4 8 8 10 6 3 14 47 9 10 68 47 10 15 32 7 4 3 4 9 27 17 4 4 3 16 12 9 16 2 4 3 3 4 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 4 5 3 5 11 9 8 7 5 8 5 10 7 14 13 8 20 100 16 5 5 6 3 3 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1; 1HNMR: 75 74 dd 1H J 17 84 | 74 74 m 1H | 73 73 td 2H J 20 71 | 42 41 m 2H | 39 38 dd 1H J 50 120 | 30 29 m 1H | 29 29 m 1H | 29 28 m 1H | 22 21 m 2H | 20 19 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC=C(c2ccnc3nnc4c(ccn4S(=O)(=O)c4ccccc4)c23)C1
ir: 11 6 2 12 4 22 4 9 10 10 14 39 22 61 18 11 13 15 2 4 6 4 1 4 5 4 4 10 31 55 30 48 15 6 2 4 11 37 6 7 11 11 2 4 4 2 3 4 2 1 2 4 4 2 8 20 6 7 7 8 3 4 28 18 20 1 3 5 3 11 8 11 4 7 5 9 6 7 8 4 3 8 14 4 32 67 40 4 3 4 3 5 6 9 7 3 5 11 16 43 5 5 4 4 2 4 3 3 2 4 3 4 5 14 12 8 7 12 17 7 13 15 17 31 25 18 10 15 7 14 13 13 3 4 53 25 29 10 10 3 3 0 69 28 6 22 9 7 4 7 20 100 9 20 3 1 2 4 4 0 3 12 16 4 2 3 2 0 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 5 5 2 3 6 5 3 3 4 4 1 4 14 22 29 42 52 15 26 17 23 11 10 7 4 3 2 3 3 2 1 3 3 2 1 2 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 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; 1HNMR: 86 86 d 1H J 55 | 80 80 d 1H J 70 | 78 78 m 2H | 77 76 m 2H | 76 75 d 1H J 55 | 75 74 m 2H | 63 62 tq 1H J 9 42 | 46 45 q 2H J 10 | 38 38 m 2H | 24 23 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)c(C(F)(F)F)n1
ir: 7 4 4 2 8 20 54 5 3 4 6 4 4 13 4 1 1 6 12 5 12 30 28 13 5 5 13 7 6 11 11 3 18 7 6 1 2 25 74 7 3 2 2 6 10 25 59 15 41 23 6 3 2 3 7 3 4 7 2 2 4 3 1 3 5 9 9 14 8 10 10 2 4 6 2 1 2 2 2 2 7 7 3 3 6 3 1 1 4 4 2 1 2 5 47 10 6 5 3 17 10 4 6 15 17 16 17 2 3 2 5 2 3 4 4 4 11 7 6 3 4 3 1 4 8 5 7 10 5 6 13 5 4 1 0 2 3 4 2 25 3 7 8 6 13 100 20 5 12 36 4 16 18 17 11 19 64 35 5 4 3 0 4 29 3 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 2 2 1 3 3 2 1 3 3 3 4 12 11 20 51 44 15 11 7 3 2 2 1 2 2 4 1 2 2 2 2 4 4 3 3 2 8 25 92 41 14 4 6 5 4 2 2 2 2 2 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 s 1H | 79 78 t 1H J 22 | 78 77 ddd 1H J 13 22 81 | 77 76 m 3H | 75 74 m 2H | 39 39 s 3H | 34 34 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ncn2c1[C@@H]1CCCN1C(=O)c1sccc1-2
ir: 2 5 14 2 2 1 2 1 2 9 8 5 12 3 1 2 4 1 1 3 5 2 7 9 2 3 6 5 1 2 11 7 4 2 1 3 1 1 1 2 3 3 3 4 13 14 7 2 2 1 1 2 5 4 10 16 19 8 2 1 19 5 6 2 8 10 8 32 14 6 2 2 1 1 2 10 12 2 1 1 1 1 2 6 11 6 6 7 4 3 7 7 3 4 3 2 3 10 8 4 1 2 3 4 2 4 10 9 6 24 16 16 5 4 3 5 3 15 7 4 1 4 3 3 7 3 2 3 1 1 1 1 1 1 1 4 28 10 2 4 3 7 12 30 18 5 4 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 6 10 4 2 10 15 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7 5 4 7 5 3 4 3 15 13 8 10 26 100 97 6 3 1 0 2 13 9 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 s 1H | 78 78 d 1H J 53 | 73 73 d 1H J 55 | 48 48 ddt 1H J 18 40 59 | 40 39 dddd 1H J 17 26 46 119 | 38 37 ddd 1H J 28 46 119 | 23 23 ddt 1H J 41 58 115 | 22 21 ddddd 1H J 18 29 46 63 122 | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(C(=O)c2ccc(Cl)cc2)C1
ir: 4 2 6 4 6 4 2 7 4 7 6 1 11 8 18 30 20 2 2 2 3 1 1 5 3 7 15 16 7 11 13 6 4 5 4 4 27 32 19 7 13 24 4 5 7 7 16 14 9 2 5 29 9 4 5 54 20 20 7 3 5 4 7 3 1 2 19 7 2 13 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 5 4 3 4 14 7 21 10 9 7 6 15 5 3 11 9 2 5 3 7 2 16 14 6 19 22 9 13 11 11 12 17 15 14 19 6 8 20 13 11 7 5 11 9 24 21 8 3 2 2 5 7 11 3 6 15 50 21 8 5 5 6 48 100 37 9 2 1 1 2 2 0 1 1 1 0 2 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 4 2 2 3 2 1 2 5 3 0 3 5 8 13 12 15 77 46 25 10 6 2 2 2 1 1 2 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 m 2H | 76 76 m 2H | 42 42 dd 2H J 44 105 | 40 39 dd 2H J 44 104 | 38 37 p 1H J 44 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1cc(Nc2ccc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)ns3)cc2)ncn1
ir: 3 4 13 7 14 5 6 7 5 11 13 12 13 9 5 7 4 2 2 3 3 7 17 9 6 9 4 3 6 5 5 3 11 8 13 10 61 43 53 22 22 44 16 11 16 22 11 5 4 2 3 9 8 4 13 10 6 29 4 5 3 4 4 9 30 20 10 9 7 14 3 3 3 3 3 3 3 1 5 2 3 3 3 4 3 2 4 13 14 3 5 4 4 3 3 7 6 3 7 25 59 4 6 5 51 17 4 6 12 11 1 1 3 3 6 2 3 1 2 7 7 6 12 10 5 2 2 5 19 4 2 3 2 2 3 3 2 3 9 9 34 18 10 30 7 24 53 97 10 5 47 42 17 15 11 10 3 3 3 3 13 61 40 4 33 5 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 5 9 13 43 24 12 2 3 3 2 2 1 1 1 1 1 1 2 2 2 4 1 2 3 5 4 13 17 100 65 32 11 2 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; 1HNMR: 89 89 s 1H | 84 84 ddq 1H J 13 26 36 | 83 82 d 1H J 16 | 79 78 m 2H | 78 78 ddd 1H J 22 39 84 | 77 76 m 2H | 73 72 dd 1H J 83 101 | 59 58 d 1H J 14 | 31 31 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=O)O)cnc1N(C)C(C)C
ir: 2 2 1 1 2 2 3 2 4 3 4 2 3 3 2 2 7 7 5 6 8 10 29 17 4 3 2 3 3 3 2 1 2 2 2 2 2 4 6 5 4 2 2 1 2 2 4 1 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 3 5 4 2 2 3 3 2 4 4 1 8 17 12 4 3 3 3 2 3 3 6 8 5 2 3 4 6 10 10 3 2 2 4 4 2 2 2 2 2 3 4 3 2 2 2 4 3 2 3 14 4 5 3 4 4 3 3 4 24 7 2 3 5 8 5 4 3 2 2 2 3 11 6 3 3 2 2 25 19 4 7 4 2 1 2 2 1 2 8 8 3 2 2 2 6 9 3 1 1 1 2 1 1 1 2 1 1 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 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 2 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 3 3 7 3 5 3 4 3 2 2 2 2 1 0 55 100 6 3 1 1 2 2 2 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 86 86 d 1H J 16 | 78 78 dt 1H J 9 17 | 43 42 dpdd 1H J 16 60 75 90 | 32 32 d 3H J 16 | 28 27 qd 2H J 9 79 | 13 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1C1=C(S)C(=O)NC2C=CC(C(F)(F)F)=CC12
ir: 2 6 4 7 3 2 1 3 7 5 6 14 2 2 2 8 26 19 3 5 17 18 5 3 4 13 6 2 59 10 7 6 18 12 5 4 3 2 4 14 8 34 7 5 22 6 65 13 51 8 3 2 5 32 37 1 4 16 7 4 10 14 7 16 7 14 5 13 8 4 2 2 2 2 2 2 3 6 4 3 6 11 7 4 3 3 3 2 2 2 2 3 9 5 4 7 6 3 8 32 11 9 0 2 3 2 0 2 6 8 20 100 34 14 8 4 2 3 3 3 8 13 3 2 2 3 15 22 14 5 4 2 8 5 2 2 2 3 5 18 17 7 16 4 7 47 5 3 2 18 6 4 10 43 6 3 15 68 17 4 7 17 4 2 2 2 2 1 1 2 1 1 1 2 2 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 2 2 2 2 2 2 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 88 60 1 1 1 2 1 1 2 1 1 1 2 2 2 1 2 1 1 2 2 2 1 1 3 2 1 2 4 8 5 6 5 9 18 64 54 15 8 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 18 32 30 55 40 10 3 5 5 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 d 1H J 24 | 73 73 m 2H | 72 72 s 1H | 70 70 m 2H | 65 64 dtt 1H J 9 18 70 | 62 61 ddd 1H J 18 59 93 | 45 44 m 1H | 43 43 dddd 1H J 10 17 49 69 | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1ncc(C(=O)Cl)c(C)n1
ir: 2 1 2 1 2 1 1 1 1 1 3 2 3 1 1 2 2 2 4 4 1 2 3 2 2 1 1 1 1 1 1 1 2 4 5 6 12 17 10 39 26 5 6 2 1 0 1 1 1 0 2 2 1 3 2 1 1 2 5 6 1 1 3 3 3 11 1 6 8 14 6 6 3 0 13 8 11 7 5 9 6 1 1 1 1 0 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 6 8 2 3 1 1 1 1 2 2 3 1 1 3 1 4 5 1 1 1 1 1 1 1 4 8 5 1 1 3 6 2 1 1 3 6 5 1 2 3 45 40 6 5 33 43 2 2 1 1 1 0 1 1 1 18 100 9 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 5 9 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 59 59 s 1H | 39 38 dq 2H J 61 113 | 38 37 dq 2H J 61 113 | 26 26 s 2H | 13 12 t 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(=O)[nH]c(Cn3cc(CO)c(C(F)(F)F)n3)nc2s1
ir: 4 3 3 3 4 4 2 3 3 2 1 2 1 1 1 1 1 4 4 2 3 3 22 4 3 3 3 1 1 1 2 1 1 1 1 1 2 3 5 3 1 1 1 1 1 1 3 8 9 100 22 7 9 4 3 5 2 0 2 7 3 4 5 18 7 3 8 2 5 1 1 1 1 1 1 1 5 1 2 1 1 0 2 3 2 6 27 9 15 15 17 8 9 7 6 9 3 4 13 6 9 3 8 1 1 1 1 1 0 5 4 5 2 1 2 6 2 2 2 2 2 3 2 3 2 4 2 1 2 1 3 2 2 16 2 1 0 1 1 4 1 1 22 9 28 9 5 1 1 1 1 1 1 1 2 1 7 4 1 9 8 69 2 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 1 1 2 3 1 3 3 3 2 2 4 4 12 23 6 3 3 8 29 4 4 1 2 1 1 2 1 1 1 2 4 1 2 9 7 23 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 76 76 p 1H J 9 | 71 71 s 1H | 48 48 dd 2H J 8 54 | 46 46 d 2H J 7 | 35 35 t 1H J 54 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(/C=C2\N=C(C)OC2=O)cc1
ir: 3 4 7 12 13 7 2 1 1 2 3 7 20 26 5 2 1 2 2 1 1 2 2 1 1 2 5 5 6 3 2 1 1 2 2 1 2 4 2 0 1 2 1 0 1 2 2 1 4 10 8 10 16 17 24 53 40 1 5 6 2 2 1 0 4 5 2 2 7 8 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 2 17 23 4 0 1 2 2 1 1 2 2 1 2 2 2 5 30 4 5 1 1 3 2 2 4 8 5 2 5 3 8 8 12 9 11 5 7 6 5 5 6 77 100 6 3 2 1 1 3 34 54 2 2 2 1 1 2 4 49 13 5 5 8 10 11 8 1 1 2 5 3 1 2 1 0 1 2 3 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 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 1 4 3 2 4 8 6 7 11 30 44 26 17 9 6 3 3 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 75 75 s 1H | 75 75 m 2H | 73 73 m 2H | 25 25 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](Br)C23OCCO3)C1
ir: 9 7 8 7 6 6 6 5 8 6 6 5 6 7 5 6 9 7 13 9 7 8 10 7 6 5 5 14 6 8 6 6 6 7 7 5 5 6 7 5 5 5 5 5 5 5 5 6 6 5 5 7 11 9 6 5 6 6 7 6 9 6 10 10 10 8 7 8 14 8 9 7 7 13 8 7 7 9 9 6 7 9 5 5 6 7 5 6 7 6 5 7 7 6 6 7 7 8 14 42 21 12 13 11 9 12 11 13 20 15 22 18 11 15 13 22 16 9 8 9 5 16 12 11 10 10 9 15 7 8 11 9 8 6 7 8 7 6 8 4 4 7 8 0 100 5 3 8 6 4 4 7 6 4 4 6 5 12 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 6 6 7 7 6 6 9 11 12 8 11 11 12 24 13 16 34 25 22 8 9 6 7 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 54 53 tdt 1H J 8 18 47 | 46 46 tt 1H J 37 61 | 43 42 ddd 1H J 7 73 92 | 40 39 m 2H | 39 38 m 2H | 24 23 m 2H | 22 21 m 2H | 20 18 m 7H | 18 14 m 8H | 12 11 m 2H | 11 11 s 2H | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(N)C(=N)N
ir: 3 4 4 7 3 3 4 3 2 3 1 5 4 3 2 3 3 4 2 2 4 3 2 2 6 2 4 3 6 7 4 5 8 8 9 12 10 8 9 9 9 2 9 4 5 3 7 7 6 3 3 3 3 2 4 2 7 4 6 5 2 3 5 9 11 7 10 10 7 7 3 4 4 7 11 4 6 7 9 3 9 29 20 10 4 15 7 3 2 2 2 2 2 2 3 3 3 2 1 1 1 1 2 2 4 3 4 7 2 1 1 2 2 2 2 4 2 2 4 5 6 5 4 3 4 3 2 3 4 2 3 3 12 53 40 10 7 7 3 11 6 9 10 13 17 37 24 19 14 17 7 5 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 1 1 1 3 2 2 2 4 3 2 1 1 1 1 1 1 1 1 1 2 4 5 5 8 22 15 50 27 15 24 13 22 64 100 13 6 4 1 2 9 61 90 9 2 1 2 2 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 74 74 s 1H | 60 60 s 2H | 49 49 d 2H J 52 | 47 46 t 1H J 53 | 42 41 p 2H J 65 | 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.
O=C(Nc1ccc(C(F)(F)F)cn1)OCC(Cl)(Cl)Cl
ir: 4 4 4 8 1 1 2 1 1 1 1 0 0 1 1 1 3 4 8 4 1 1 1 1 1 3 5 7 6 3 5 4 6 19 28 17 11 8 3 2 21 23 100 35 5 6 5 4 5 11 6 10 8 18 57 7 15 5 1 0 1 2 1 0 6 5 48 3 1 2 2 6 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 13 8 2 7 17 4 2 1 4 25 62 11 3 1 1 6 2 1 1 1 1 3 7 92 17 1 3 3 2 0 1 6 1 2 6 8 29 8 10 4 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 3 42 41 13 25 22 52 16 4 2 3 3 0 1 4 4 29 4 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 2 2 1 1 0 0 1 1 1 3 4 4 11 23 18 6 3 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 5 9 51 13 3 2 2 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 86 86 dq 1H J 13 25 | 86 86 s 1H | 82 81 ddt 1H J 13 30 69 | 78 77 d 1H J 70 | 49 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(Cn2nc(/C=C(\F)c3ccc(OC(F)(F)F)cc3)cc2C)cn1
ir: 3 4 5 8 21 17 29 14 8 15 11 9 14 32 17 12 9 9 19 5 3 4 3 3 5 6 8 4 4 4 6 7 10 21 26 10 8 12 16 8 13 11 4 2 3 3 3 5 4 4 7 7 15 12 17 12 10 3 3 3 2 3 2 5 4 4 4 3 3 13 11 6 4 9 5 24 47 12 4 6 4 3 2 2 2 3 2 2 6 3 7 6 7 9 4 4 12 38 86 56 75 69 39 11 2 2 2 3 6 14 4 4 4 5 3 2 3 3 5 5 5 6 7 15 29 25 5 7 6 15 5 8 7 3 3 5 3 2 4 3 3 5 6 15 60 100 44 23 43 20 21 16 13 18 6 11 7 4 4 1 26 25 1 5 5 16 4 6 2 0 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 2 3 2 2 2 3 3 3 2 5 7 3 12 28 40 46 29 24 12 5 4 5 2 4 3 2 2 3 2 4 3 4 2 3 2 4 4 4 7 27 33 74 89 24 13 9 5 11 5 3 2 2 1 2 1 1 2 2 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 82 dt 1H J 9 20 | 76 76 m 2H | 73 73 ddt 1H J 9 19 67 | 72 72 m 2H | 67 66 d 1H J 66 | 61 61 s 0H | 60 60 d 1H J 16 | 55 54 q 1H J 48 | 53 53 d 2H J 9 | 29 29 d 3H J 48 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1
ir: 1 2 3 2 1 1 0 1 1 1 0 2 1 1 0 5 100 75 0 3 2 1 1 2 2 2 1 1 2 5 5 3 4 3 2 8 14 2 1 1 18 18 16 2 1 3 1 0 2 2 3 1 2 5 6 2 2 2 1 0 1 1 2 2 1 3 5 5 4 6 2 7 8 2 2 2 2 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 1 1 4 53 13 4 3 1 1 2 2 2 9 5 7 4 4 8 24 8 4 1 1 1 6 19 19 9 3 6 2 1 1 1 1 2 4 2 1 2 5 8 8 52 9 9 9 10 4 4 1 2 18 19 2 1 1 1 1 3 9 5 1 1 0 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 1 0 0 0 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 2 3 5 7 4 6 20 54 15 9 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 5 11 12 5 1 1 1 1 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 22 | 77 76 m 3H | 75 75 d 1H J 84 | 75 74 m 2H | 74 73 m 1H | 73 72 d 1H J 20 | 44 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cccc(CC(=O)O)c1
ir: 7 4 0 8 8 7 2 10 7 16 33 11 11 6 5 5 6 7 7 17 23 37 100 36 17 5 2 5 9 7 11 7 27 5 7 7 13 3 4 5 4 4 10 16 12 8 9 10 7 10 4 6 3 1 3 7 3 5 4 6 2 0 3 6 5 9 14 17 5 3 4 5 3 1 4 6 12 10 29 23 18 12 8 5 30 34 29 12 23 5 9 6 3 3 7 7 2 4 7 8 3 4 10 4 0 16 12 15 3 3 5 3 1 2 5 3 1 4 8 6 1 14 14 6 15 11 14 10 7 5 6 3 3 4 4 1 0 4 5 5 20 12 22 17 16 15 5 3 2 4 3 1 3 5 4 2 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 4 3 8 4 1 3 4 3 1 2 5 3 3 14 8 12 7 33 28 29 6 3 4 3 3 4 12 26 33 35 5 3 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 tt 1H J 9 22 | 78 77 ddd 1H J 15 22 82 | 75 74 m 2H | 36 35 t 2H J 8 | 32 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COc2cc(C(=O)O)cc(Cl)c2OCc2ccc(OC)cc2)cc1
ir: 2 2 1 2 2 2 0 5 5 3 4 6 6 5 7 14 4 8 8 8 9 57 100 14 6 3 3 1 6 2 1 1 2 3 2 2 2 1 2 1 1 1 3 1 1 1 1 4 3 4 5 15 15 15 9 15 18 22 9 6 4 4 3 7 4 4 3 14 25 18 8 8 5 1 1 3 4 28 7 3 4 8 4 2 2 3 8 14 3 2 2 1 1 1 2 1 2 10 2 1 2 3 18 8 1 1 2 1 0 1 1 2 1 1 1 1 1 14 7 3 3 2 2 5 5 17 3 6 1 1 1 1 1 0 1 1 3 10 3 1 1 1 1 1 4 60 36 10 37 7 6 5 15 2 1 2 2 1 1 1 1 1 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 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 1 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 7 5 10 43 49 49 8 4 2 2 2 2 1 12 28 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 22 | 75 74 d 1H J 22 | 73 73 dt 4H J 10 82 | 69 69 m 4H | 52 51 t 2H J 9 | 51 50 t 2H J 9 | 38 38 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(=S)NC1(C(F)(F)CO)c2cc(Br)ccc2OCC12CC2)c1ccccc1
ir: 3 2 2 3 1 5 1 3 3 3 3 2 3 1 2 1 2 2 1 1 2 1 1 1 2 3 3 2 2 1 3 4 5 7 16 3 8 2 4 5 33 47 15 19 6 9 4 4 7 5 5 3 25 3 3 24 100 7 11 6 3 1 2 4 5 3 5 3 2 8 2 2 1 1 2 4 1 2 3 3 1 4 4 8 5 4 8 35 31 2 9 11 9 3 3 3 1 1 2 2 0 6 3 1 1 5 2 4 1 4 3 1 0 1 2 1 1 1 2 1 0 2 2 5 2 2 2 1 2 1 2 1 2 1 4 1 1 1 2 1 2 3 49 21 6 12 55 21 6 17 95 9 5 2 10 7 2 1 1 2 1 20 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 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 2 2 1 2 2 3 4 5 6 5 8 39 23 15 5 5 4 3 3 68 10 2 1 2 2 1 2 2 2 1 2 3 3 3 2 10 35 11 4 4 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 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; 1HNMR: 91 90 t 1H J 23 | 78 77 m 2H | 76 75 m 3H | 75 74 m 2H | 68 68 m 1H | 42 42 s 2H | 42 38 m 3H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2nc(-c3cccc(C(=O)N4CCN(C(=O)C(C)C)CC4)c3)oc12
ir: 41 20 7 16 5 4 2 9 6 4 15 15 14 7 3 3 6 6 1 5 8 21 36 19 3 6 7 5 5 1 10 13 22 13 19 15 28 34 27 24 15 9 10 4 4 5 6 10 78 15 7 2 2 0 2 4 2 0 1 2 2 3 2 3 3 3 6 17 5 8 4 9 2 1 5 9 4 3 8 6 9 4 9 3 2 1 3 4 5 2 3 2 2 2 3 1 3 11 8 3 1 5 6 6 5 6 8 4 4 6 10 8 11 10 30 8 18 26 11 17 26 14 11 38 4 5 4 5 11 38 20 5 3 19 15 9 7 93 6 9 24 17 9 14 51 8 23 81 43 9 2 14 3 2 1 1 1 2 6 3 3 0 1 2 1 0 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 2 1 2 2 3 1 3 2 6 6 7 17 28 6 23 100 64 23 9 2 3 3 1 2 1 2 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 84 83 t 1H J 22 | 81 80 ddd 1H J 12 22 101 | 80 80 dd 1H J 14 97 | 78 77 m 2H | 77 76 dd 1H J 82 101 | 76 75 m 1H | 39 38 s 2H | 37 37 m 4H | 36 36 m 4H | 28 27 dt 1H J 73 146 | 11 10 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(-c2ccccc2OCc2ccccc2)on1
ir: 4 3 3 1 2 1 1 2 1 2 2 2 2 1 1 2 2 4 24 23 23 58 30 20 3 3 4 3 3 2 9 6 4 3 1 1 2 2 4 7 7 13 67 64 5 10 3 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 26 3 3 7 4 4 5 7 11 7 4 2 8 33 13 3 2 3 3 1 1 2 4 9 4 2 1 1 8 19 2 1 2 2 2 2 3 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 3 2 2 2 3 3 2 2 2 6 8 14 19 10 1 0 4 4 4 6 6 2 2 2 3 10 13 3 3 3 2 8 13 8 3 2 2 4 2 3 3 1 1 7 23 3 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 1 6 10 14 100 42 25 10 4 4 1 2 3 32 18 3 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 dd 1H J 14 90 | 74 72 m 8H | 71 71 dd 1H J 14 77 | 51 51 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C#CC1(O)C(C)CCCC1(C)C
ir: 2 8 4 5 3 3 4 3 2 5 1 3 10 5 1 3 2 2 6 3 2 5 1 2 2 1 1 1 2 1 1 2 1 2 1 1 3 5 6 2 6 54 100 29 12 5 8 12 5 2 2 2 2 1 1 3 2 1 2 3 3 3 5 10 11 12 19 7 16 8 5 13 7 21 19 22 32 14 10 3 9 14 16 15 7 6 4 3 8 19 29 30 11 9 7 11 13 7 7 3 4 3 13 7 2 4 9 9 2 28 9 38 10 3 13 5 3 6 8 12 14 7 19 16 4 5 3 3 3 4 2 2 2 5 3 8 14 22 5 4 6 16 18 2 1 2 3 6 23 8 3 0 1 2 3 1 1 3 4 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 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 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 3 3 6 3 5 2 7 4 10 10 4 13 17 26 14 35 73 80 3 7 6 2 2 21 74 20 1 3 2 2 0 2 2 1 0 2 2 1 1 2 2 4 3 3 4 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 dd 1H J 14 68 | 74 74 ddd 1H J 14 67 80 | 71 71 td 1H J 12 67 | 70 69 dd 1H J 12 78 | 39 38 s 2H | 30 30 s 1H | 20 19 m 1H | 17 15 m 3H | 15 14 m 3H | 10 10 m 6H | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1
ir: 8 8 9 5 4 5 8 7 5 7 7 12 9 7 12 9 8 6 9 7 10 35 40 23 6 11 9 6 10 8 9 7 6 6 7 6 7 9 11 7 12 10 12 16 12 13 11 9 18 8 6 3 6 6 7 18 15 7 5 4 5 5 4 8 31 13 4 6 6 7 9 4 4 6 7 6 5 9 13 20 9 7 4 7 43 13 13 11 9 6 4 4 5 12 9 5 4 5 4 16 10 5 3 3 4 4 3 3 4 4 4 4 14 11 10 22 15 6 9 13 8 8 6 5 8 9 4 5 4 4 3 4 4 4 8 8 6 4 5 5 5 11 39 40 46 6 5 7 7 5 6 8 5 3 4 5 4 4 10 6 4 3 3 4 4 3 3 4 3 3 3 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 5 4 4 7 6 23 60 18 18 5 3 6 7 4 0 74 100 6 4 4 4 4 4 4 4 3 4 5 6 5 4 7 18 95 77 22 5 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 88 88 s 1H | 81 80 m 2H | 79 79 m 2H | 75 75 dd 1H J 14 76 | 74 73 m 5H | 73 72 m 2H | 71 70 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(C(=O)C2CCCO2)CC1
ir: 2 2 3 2 4 3 4 3 6 9 10 10 5 4 3 2 3 3 4 4 3 4 8 17 6 3 3 3 7 5 6 5 9 4 4 4 4 4 4 3 3 5 6 30 9 4 4 3 7 10 19 15 5 3 5 2 3 5 4 3 10 4 3 2 2 3 2 3 3 2 4 2 2 3 6 7 3 5 3 2 2 3 4 3 3 3 3 3 3 3 2 3 3 3 2 9 3 3 3 2 4 7 9 5 8 6 9 13 7 12 12 5 18 8 10 6 6 5 4 4 3 5 3 4 7 8 6 4 3 3 3 3 4 10 4 9 4 5 6 8 5 4 2 3 3 3 7 17 7 3 3 3 3 0 23 5 4 7 100 7 4 5 7 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 4 2 4 3 4 3 3 4 8 4 6 20 11 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 7 13 8 17 11 6 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 dd 1H J 16 86 | 75 75 td 1H J 16 79 | 71 71 m 2H | 48 47 t 1H J 41 | 41 40 d 2H J 51 | 39 38 ddd 1H J 32 48 110 | 38 37 m 1H | 37 36 m 2H | 37 36 t 4H J 53 | 34 33 dt 2H J 53 115 | 25 24 p 1H J 67 | 23 21 m 2H | 21 18 m 5H | 18 17 ddt 2H J 63 88 128 | 17 16 ddt 2H J 64 88 129 | 15 14 m 2H
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)c1ccccc1N1CCNC(C(F)(F)F)CC1)C3
ir: 1 2 2 3 3 10 4 1 4 7 2 6 5 6 6 7 3 4 0 2 1 2 1 2 9 16 47 5 6 3 1 3 10 6 12 11 7 6 5 4 3 3 21 28 5 4 5 19 26 8 8 9 8 8 5 3 2 7 7 8 5 2 4 21 12 5 18 23 11 16 6 6 2 2 2 2 1 1 3 10 5 3 2 1 1 1 1 2 5 6 15 4 2 2 5 4 3 3 13 21 3 2 8 7 3 3 3 3 5 12 3 8 12 11 16 100 44 15 11 5 8 6 2 5 3 6 6 9 22 15 22 16 4 29 12 4 1 4 22 10 4 3 4 18 4 16 8 9 40 6 2 38 51 4 2 7 48 5 2 2 11 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 2 1 2 3 3 2 1 3 2 5 5 15 14 12 5 54 16 3 4 3 2 0 1 2 1 1 1 2 1 1 5 4 4 5 18 64 20 5 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 76 76 dd 1H J 16 85 | 74 73 m 1H | 72 72 td 1H J 14 82 | 71 70 dd 1H J 14 75 | 54 53 s 2H | 49 48 d 1H J 137 | 48 48 d 1H J 138 | 37 35 m 2H | 34 33 m 3H | 32 31 m 1H | 30 29 dtd 1H J 32 49 131 | 29 28 dtd 1H J 31 49 129 | 26 26 s 2H | 25 25 s 2H | 19 18 m 1H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(C3(O)CCC(O)CC3CN(C)C)ccc2c1
ir: 2 1 1 4 2 3 3 1 1 1 3 12 3 2 5 5 4 6 12 6 9 7 9 8 16 15 15 19 9 3 3 2 1 2 2 1 0 1 1 0 1 2 1 1 1 3 1 3 1 1 2 1 3 3 12 1 1 1 0 1 2 6 2 8 2 5 4 10 8 4 2 1 3 1 1 2 1 2 2 10 70 8 2 0 3 5 8 14 12 6 11 7 20 35 38 9 15 9 8 6 16 18 4 2 2 5 2 3 4 2 0 1 1 3 8 6 3 2 3 2 3 3 3 1 3 3 5 4 1 2 1 1 2 1 0 1 1 0 0 1 0 0 0 1 1 1 4 1 0 0 0 1 1 0 1 1 1 12 10 4 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 3 2 3 43 14 2 2 88 100 20 3 4 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 77 76 dd 1H J 22 84 | 74 74 dd 1H J 21 85 | 72 71 m 2H | 39 38 m 1H | 39 38 s 3H | 35 35 s 1H | 30 30 d 1H J 46 | 29 28 dd 1H J 53 115 | 26 26 dd 1H J 52 114 | 25 24 tt 1H J 53 77 | 23 22 m 1H | 23 23 s 6H | 21 21 ddd 1H J 67 77 142 | 21 20 m 2H | 19 18 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)C(c1ccc(O)cc1)c1ccc(O)cc1
ir: 1 3 4 3 5 2 3 4 2 6 4 6 5 4 3 2 3 3 3 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 5 4 3 2 3 3 2 3 1 3 3 2 1 1 1 1 4 2 9 20 35 42 9 5 1 3 1 1 5 2 1 1 1 1 3 2 0 1 1 2 1 5 7 12 66 100 44 35 31 16 12 8 5 17 20 11 6 5 2 2 2 1 2 0 2 1 2 2 1 2 2 2 7 5 2 1 1 0 1 1 2 1 2 2 4 4 3 3 5 3 2 0 5 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 10 30 39 13 5 8 10 1 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 5 3 1 1 2 3 4 2 3 2 2 2 3 4 6 11 16 18 45 39 10 6 2 3 7 46 74 30 5 6 4 1 0 1 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 3 1 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; 1HNMR: 71 70 m 5H | 67 66 m 4H | 38 37 m 1H | 21 20 m 1H | 15 14 m 2H | 14 13 m 2H | 13 12 m 4H | 12 11 m 1H | 9 9 td 6H J 13 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CO[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OCC(=O)OC(C)(C)C
ir: 30 28 14 12 33 65 13 27 25 29 19 17 21 10 10 9 19 5 2 7 8 16 4 6 8 7 21 15 20 34 32 20 18 6 4 5 7 22 20 23 37 11 5 10 16 10 4 10 8 7 6 9 5 0 4 7 6 4 5 12 12 7 12 8 31 19 25 25 30 4 8 8 7 6 7 13 5 4 13 8 6 9 6 5 2 1 4 5 19 16 9 8 4 3 6 6 8 25 14 7 10 6 10 5 12 10 40 24 7 9 11 6 11 45 11 11 5 13 28 12 25 20 17 11 22 11 19 33 11 27 35 22 19 38 30 23 7 7 5 3 4 9 41 38 56 72 25 8 5 13 60 81 4 6 4 1 3 4 3 1 2 4 3 0 2 5 2 0 2 5 2 0 2 4 2 0 3 4 2 0 2 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 5 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 4 1 2 4 4 1 2 5 5 4 8 7 6 5 9 15 9 5 7 11 18 7 12 76 100 60 21 37 34 9 6 5 3 3 3 4 3 2 3 4 2 1 3 3 2 2 3 3 2 2 3 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 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 73 m 6H | 52 51 s 2H | 44 42 m 4H | 42 41 d 2H J 150 | 39 38 ddt 2H J 18 97 115 | 37 36 ddd 2H J 35 119 154 | 14 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(C#N)cc2)CCN1
ir: 0 2 4 2 0 2 4 2 1 3 3 2 0 2 2 1 0 2 3 1 0 2 2 1 1 7 6 2 2 2 2 1 1 3 5 0 2 7 4 1 1 3 5 0 1 3 2 1 3 6 7 7 28 64 15 9 42 3 6 2 12 12 2 1 4 11 8 2 2 6 6 2 2 2 3 2 2 2 2 3 2 2 1 1 2 2 6 2 2 3 3 1 3 4 2 1 5 4 2 8 10 2 1 2 4 4 9 37 21 13 7 2 2 3 2 3 2 5 3 4 4 2 4 5 4 3 2 3 6 7 6 5 3 2 3 5 2 1 1 2 2 1 2 2 2 2 4 3 14 4 2 2 4 3 2 3 2 1 1 2 2 4 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 11 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 2 1 2 2 3 2 2 2 3 6 5 8 36 5 5 3 2 2 2 1 1 2 2 2 1 1 2 3 5 4 5 7 100 12 4 3 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 m 2H | 69 68 m 2H | 36 35 dd 1H J 13 119 | 34 33 m 3H | 30 29 m 2H | 29 28 ddt 1H J 33 55 126 | 23 22 dt 1H J 34 66 | 11 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.