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NCc1ccc(C(=O)N[C@@H](CNC(=O)c2ccccc2)C(=O)O)c(Cl)c1
ir: 1 1 2 1 1 2 1 1 1 2 1 4 2 3 2 3 6 8 6 4 31 31 7 21 7 6 5 5 5 2 2 12 4 15 11 19 100 23 8 3 1 11 8 27 5 3 4 10 13 12 2 0 1 2 3 4 3 1 3 5 1 2 1 1 2 3 8 10 5 3 12 16 42 5 2 2 4 7 15 21 3 7 2 2 4 3 2 2 1 1 4 3 1 4 1 4 2 1 5 1 1 1 1 1 3 1 1 1 1 2 3 2 4 2 2 3 1 4 5 4 4 10 9 12 8 6 2 3 4 2 3 4 8 25 13 8 3 2 2 2 6 25 6 11 10 57 10 17 11 5 2 4 13 9 2 2 1 0 1 1 1 4 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 2 5 2 3 3 5 15 59 6 3 1 2 1 1 1 1 1 5 2 4 3 8 16 4 6 10 7 4 3 45 27 31 23 21 11 3 2 2 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 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 d 1H J 86 | 79 79 t 1H J 66 | 78 78 d 1H J 83 | 77 77 m 2H | 75 75 m 1H | 75 74 m 3H | 73 73 ddt 1H J 9 20 84 | 46 45 dt 1H J 42 86 | 40 40 tt 2H J 9 62 | 39 38 ddd 1H J 42 66 135 | 36 36 ddd 1H J 42 64 134 | 16 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[S@](=O)N[C@@H](c1cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)s1)c1ccccc1Cl
ir: 2 9 15 23 7 6 5 3 5 3 1 7 9 19 4 8 6 6 12 22 12 4 9 13 10 8 9 11 24 7 10 42 14 9 5 12 15 20 14 18 12 15 62 19 15 26 15 12 24 7 17 8 8 9 30 17 18 6 5 7 6 12 5 7 8 0 10 19 20 48 21 6 7 3 8 8 3 10 6 4 3 5 7 5 4 3 4 14 12 11 10 7 5 6 9 14 8 5 8 15 12 11 6 12 6 11 10 5 22 21 6 8 6 10 21 16 5 5 5 11 8 16 11 6 3 9 13 13 10 13 9 6 3 5 6 8 25 19 6 8 5 6 15 2 3 68 23 30 23 6 38 9 8 3 3 4 3 2 6 3 3 3 5 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 3 3 4 3 2 2 4 3 5 4 8 13 9 44 52 29 10 18 15 9 3 5 4 3 2 3 4 3 3 4 4 4 5 11 82 100 24 13 16 20 19 9 9 4 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 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 3 2 2 2 3 2 2; 1HNMR: 74 74 dd 1H J 13 77 | 74 73 td 1H J 15 79 | 73 73 s 1H | 72 72 m 2H | 70 69 m 2H | 68 67 d 1H J 84 | 62 62 dt 1H J 8 85 | 59 59 s 2H | 40 40 d 1H J 84 | 17 16 m 2H | 14 14 m 2H | 13 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1nc(-c2ccc(Cl)cc2)sc1-c1ccccc1
ir: 3 2 3 1 3 3 4 4 2 4 3 5 3 3 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 4 14 7 2 2 2 2 2 1 2 5 61 45 5 2 1 6 4 1 2 3 4 3 4 8 51 22 17 5 3 3 2 2 13 2 2 11 11 2 14 2 1 2 5 1 2 1 1 1 3 1 1 1 1 2 3 1 3 1 1 1 1 2 8 2 2 1 2 3 1 1 1 1 1 1 2 2 27 4 1 1 0 1 1 1 1 1 1 1 3 3 7 8 3 2 5 12 2 1 4 2 2 1 1 2 4 5 2 1 2 2 1 1 2 10 8 10 2 8 5 2 1 2 3 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 1 1 1 1 1 2 2 100 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 3 1 1 1 0 1 4 3 4 5 12 36 38 21 11 20 4 3 3 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 1; 1HNMR: 80 79 m 2H | 77 77 m 2H | 76 75 m 2H | 75 74 m 3H | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccc[n+]([O-])c2C(O)N1c1cnn(CC(F)(F)F)c1
ir: 9 8 4 4 6 8 4 10 18 11 10 7 8 9 13 8 16 28 16 10 4 4 5 9 5 2 6 18 57 87 31 6 20 9 8 10 8 10 15 8 5 29 25 20 7 3 3 3 4 2 3 7 3 2 3 5 6 1 9 13 7 2 5 5 6 5 28 34 38 32 22 7 6 5 19 24 8 5 6 12 12 12 11 28 55 20 16 47 56 57 30 30 20 7 9 6 3 11 5 5 14 15 12 15 17 37 21 12 0 16 9 4 2 4 12 7 3 7 7 8 8 8 11 27 31 14 8 3 4 100 73 7 8 16 34 31 14 6 4 3 15 12 9 33 10 3 3 4 4 9 49 47 7 51 50 4 31 30 3 3 33 23 5 2 2 4 2 1 2 3 2 1 2 3 2 1 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 2 3 2 1 1 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 3 3 2 2 3 3 1 2 4 3 2 2 4 3 3 6 12 5 5 7 8 13 4 9 14 7 61 19 61 43 39 37 52 42 11 15 29 70 12 6 7 5 6 5 8 2 4 3 5 2 4 7 6 4 4 3 4 3 3 4 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 75 s 1H | 74 74 m 1H | 70 70 d 1H J 51 | 54 54 d 1H J 51 | 48 48 dd 1H J 7 119 | 48 47 dd 1H J 8 118 | 43 43 dd 1H J 16 62 | 32 31 dd 1H J 62 71 | 31 31 dd 1H J 16 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc2cc3ccccc3cc2o1
ir: 5 2 3 2 7 4 2 4 4 2 7 6 9 10 9 4 7 7 8 10 30 6 15 8 14 5 6 8 6 7 8 9 7 2 2 10 6 6 2 2 3 7 28 10 5 4 1 2 2 2 4 2 2 3 2 3 2 6 3 2 2 1 2 2 1 3 5 22 5 3 6 2 1 1 3 3 20 3 2 2 2 3 1 1 2 2 2 2 5 27 19 12 6 4 5 3 9 11 17 12 6 22 25 9 2 10 32 5 5 10 23 4 1 5 5 4 3 3 3 3 3 4 8 9 4 3 1 2 1 3 2 4 4 6 4 2 17 17 13 10 10 4 4 1 0 8 13 12 4 14 2 1 2 2 15 4 4 50 5 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 2 2 1 2 4 2 5 3 6 4 2 2 5 11 1 8 63 38 2 11 18 100 94 26 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 94 93 s 1H | 82 81 d 1H J 21 | 81 81 d 1H J 10 | 80 80 ddd 1H J 22 34 58 | 80 79 m 2H | 75 75 dd 2H J 33 60 | 49 48 ddt 1H J 18 37 55 | 38 37 ddd 1H J 8 70 119 | 37 36 ddd 1H J 32 49 119 | 36 36 dddd 1H J 17 31 51 119 | 35 35 ddd 1H J 9 70 119 | 31 30 tt 1H J 70 81 | 24 23 dddd 1H J 37 71 92 146 | 22 20 m 3H | 18 17 m 1H | 17 14 m 8H | 14 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CC1CCC(=O)CC1
ir: 8 14 12 7 9 11 23 6 4 12 27 20 18 17 10 9 9 12 32 18 7 9 16 11 13 43 14 6 8 12 16 4 5 8 7 3 7 14 14 15 36 47 17 9 6 10 9 2 13 15 12 15 6 13 9 1 6 20 14 1 5 9 5 1 6 14 6 5 11 13 6 3 7 7 5 3 6 7 3 2 7 8 4 4 8 9 5 7 10 8 7 11 15 7 4 6 11 12 9 6 9 6 3 4 8 9 10 17 30 16 16 32 28 14 7 16 15 7 6 14 18 24 64 29 13 13 17 10 15 14 9 23 15 20 11 23 23 24 13 10 7 11 13 18 93 32 100 81 23 6 4 8 7 2 3 8 6 1 3 8 5 0 3 8 5 0 4 8 4 0 4 8 4 0 4 8 4 1 5 8 4 1 5 7 3 1 5 7 3 2 5 7 3 2 6 6 2 2 6 6 2 2 6 6 2 3 7 6 2 3 7 5 2 3 7 5 1 3 7 5 1 4 7 5 1 4 8 4 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 3 2 5 7 3 2 6 6 3 2 6 6 3 2 6 6 2 3 6 6 2 3 7 6 3 4 8 8 5 5 14 17 13 19 13 9 4 7 12 12 21 25 42 6 4 6 9 5 2 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 7 4 2 4 7 4 1 4 7 4 2 4 7 4 2 5 6 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 7; 1HNMR: 29 29 s 5H | 26 25 ddd 2H J 59 84 145 | 24 23 m 4H | 22 21 dq 1H J 67 134 | 20 19 dddd 2H J 57 64 84 134 | 17 16 dddd 2H J 59 66 85 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2c(F)cc(-c3ccc4occc4c3)cc2Cl)C1
ir: 7 6 1 4 5 4 0 3 6 3 1 5 4 3 1 4 5 2 1 4 4 6 3 11 11 3 3 4 8 3 5 5 4 3 4 6 9 9 6 5 11 6 2 7 8 3 5 5 4 1 4 7 6 5 9 12 5 19 5 3 2 0 5 7 7 8 28 11 11 7 16 29 16 5 7 59 10 10 4 4 2 2 4 4 2 2 22 6 2 17 8 5 12 9 8 8 6 4 6 5 4 4 13 3 6 4 6 6 5 12 5 8 2 3 7 6 9 6 6 4 4 4 6 3 2 5 5 4 4 20 38 5 1 5 6 4 4 8 6 12 11 10 31 17 57 45 95 75 25 11 9 5 5 7 4 1 3 4 3 8 3 6 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 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 1 3 3 1 1 3 2 1 2 3 3 1 2 3 2 1 3 6 4 2 4 5 6 8 4 6 8 6 19 52 26 8 21 23 11 2 8 13 13 100 10 7 3 2 4 5 8 4 3 4 2 1 3 3 1 2 3 3 2 1 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 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 t 1H J 21 | 77 76 d 1H J 16 | 75 75 m 3H | 74 73 m 2H | 38 37 m 1H | 36 35 dddd 1H J 18 53 71 122 | 35 34 m 2H | 29 28 m 1H | 26 25 m 1H | 25 24 dddq 1H J 18 35 51 104 | 21 20 m 2H | 19 18 ddt 1H J 54 72 124 | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
ir: 2 2 5 4 3 2 2 2 3 3 4 2 3 5 5 9 8 3 6 3 7 4 3 5 4 3 2 2 3 2 2 2 4 5 3 4 2 2 3 4 25 42 15 11 10 3 4 6 7 3 4 13 6 6 8 32 25 10 4 2 11 8 7 4 6 6 3 2 2 10 5 8 13 10 10 5 7 6 5 2 2 2 1 2 2 2 2 5 11 5 2 2 2 2 2 2 2 2 3 5 3 2 1 2 2 3 3 3 3 3 3 6 8 10 9 3 6 5 7 8 12 11 3 6 6 9 14 8 9 4 0 100 4 4 3 2 1 2 2 1 1 2 2 3 25 22 7 9 94 38 7 27 19 16 41 7 3 3 2 2 2 2 23 6 2 2 1 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 2 2 3 5 5 3 4 2 2 3 4 5 15 10 11 27 29 10 5 3 4 2 3 3 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H | 70 70 m 2H | 59 59 t 1H J 37 | 38 38 s 2H | 37 36 dq 1H J 64 112 | 36 35 dq 1H J 64 112 | 27 26 ddd 1H J 51 70 143 | 26 25 ddd 1H J 51 70 141 | 24 23 dddd 1H J 37 51 70 130 | 21 20 dddd 1H J 38 51 70 130 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc2cnccc2[nH]c1=O
ir: 2 2 3 2 2 13 6 3 2 2 3 2 2 2 3 9 17 33 3 2 2 2 3 3 32 55 6 6 4 2 2 10 4 3 2 23 12 5 3 3 3 3 48 22 9 100 30 7 4 4 9 4 8 5 3 2 8 3 4 2 2 2 3 2 3 2 2 2 2 3 12 3 25 9 11 3 5 3 2 4 2 2 2 2 2 4 3 5 4 3 1 1 3 3 0 2 17 59 9 4 0 10 4 6 14 2 3 2 2 2 1 19 22 6 5 2 1 3 4 4 1 3 5 6 2 3 4 2 3 4 4 4 7 4 4 3 5 27 2 2 2 3 3 2 2 3 4 0 4 44 14 20 41 4 7 34 42 5 3 3 4 4 4 7 5 49 52 9 4 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 2 2 2 2 2 2 2 3 10 14 7 6 27 9 11 5 5 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 5 5 15 27 15 36 10 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; 1HNMR: 88 87 d 1H J 13 | 86 85 dd 1H J 14 39 | 74 74 d 1H J 38 | 73 73 s 1H | 13 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2cnc(C(F)(F)F)nc2)ncc1Cl
ir: 0 5 4 3 4 5 6 8 29 9 5 5 2 3 4 2 5 4 2 3 4 2 3 24 20 4 8 7 43 2 8 5 1 3 3 2 13 12 23 34 7 14 15 3 3 2 1 2 5 3 2 2 1 1 1 2 2 2 2 2 28 1 3 2 3 5 9 23 5 5 3 2 2 2 1 5 2 2 1 2 1 1 1 1 1 2 2 2 5 3 10 10 4 6 7 8 11 26 5 11 47 7 61 100 6 5 4 18 8 2 2 1 1 1 3 4 7 7 11 8 3 4 13 9 3 4 3 5 10 1 1 1 1 2 2 3 3 8 13 2 7 3 24 19 2 6 8 17 3 4 6 5 12 19 7 2 3 1 12 8 2 2 6 4 27 12 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 13 9 5 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 92 92 s 2H | 86 86 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2ccc(OCC)nc2c1O
ir: 2 3 2 2 6 2 1 6 2 1 1 1 1 1 1 1 2 3 2 3 2 2 8 27 13 9 13 13 4 6 4 2 12 24 36 63 15 2 7 8 3 1 2 3 2 0 1 1 1 1 6 32 13 3 2 13 42 26 2 2 1 1 1 2 1 1 2 7 4 2 2 2 3 4 7 7 2 1 1 2 3 3 2 3 28 11 3 5 7 4 1 1 1 2 14 35 13 5 2 3 2 2 3 9 10 2 6 21 15 5 2 4 3 6 12 10 6 2 2 3 28 7 3 2 0 2 2 1 2 4 2 1 1 1 1 1 1 1 3 44 8 0 1 1 2 17 10 2 1 1 2 2 2 41 24 1 1 2 1 0 4 7 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 6 6 4 4 10 35 6 19 100 73 7 2 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 s 1H | 81 80 d 1H J 82 | 69 69 d 1H J 81 | 43 42 m 4H | 14 14 dt 7H J 65 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
ir: 2 3 4 4 6 3 2 4 2 2 3 3 1 3 6 5 1 1 1 2 1 1 1 1 1 1 4 5 2 3 3 2 5 3 12 9 11 12 5 4 23 13 3 10 3 4 2 2 3 3 3 5 5 13 12 3 2 2 2 0 1 2 5 1 4 2 8 6 7 3 4 1 2 1 1 1 2 3 9 11 6 6 2 2 2 10 6 24 16 8 7 6 1 2 1 3 3 1 1 1 3 3 1 3 2 3 1 4 2 1 1 1 3 3 2 2 2 1 0 1 1 1 1 2 4 3 22 2 3 1 1 1 2 3 2 10 6 3 1 8 15 8 5 6 5 5 2 18 2 2 6 31 12 10 1 2 1 0 1 3 1 5 1 2 1 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 3 3 3 2 9 20 100 26 6 6 3 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 4 3 4 5 31 3 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 19 | 82 82 t 1H J 22 | 80 80 ddd 1H J 11 22 79 | 79 79 dd 1H J 20 86 | 79 78 ddd 1H J 12 22 88 | 77 76 m 1H | 74 74 m 2H | 72 71 m 2H | 70 70 tt 1H J 14 73 | 68 67 d 1H J 85 | 30 29 m 4H | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCc2cccc(F)c2)cc1
ir: 4 5 6 4 8 4 3 2 1 1 2 3 8 8 10 8 5 2 2 1 1 1 1 1 1 1 4 3 2 5 5 2 2 4 2 2 1 2 2 2 1 1 1 0 2 7 41 17 12 1 2 2 2 8 33 14 11 6 5 0 1 2 1 3 2 6 53 12 4 2 3 2 1 2 1 4 2 3 1 4 2 1 1 1 1 1 1 1 11 13 3 2 1 1 1 1 1 2 4 1 1 1 1 1 1 2 2 1 0 1 1 1 1 2 2 23 22 4 10 2 4 5 4 5 5 12 4 3 1 1 1 1 1 1 1 1 1 1 2 10 32 3 5 58 24 2 1 3 4 14 16 22 5 4 9 11 2 1 1 1 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 3 3 2 7 14 26 100 67 5 3 5 2 2 3 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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; 1HNMR: 78 78 m 2H | 74 73 m 1H | 73 72 ddq 1H J 10 20 75 | 71 69 m 4H | 51 51 t 2H J 8 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
ir: 4 3 4 9 3 3 2 2 4 3 5 4 3 3 7 5 4 4 6 6 2 12 8 2 5 4 7 5 4 4 7 5 8 28 7 13 7 13 6 6 6 2 7 7 9 71 75 9 9 2 4 5 10 6 64 25 13 15 6 15 7 25 9 29 6 5 8 6 4 16 13 3 3 2 2 2 4 3 11 7 3 5 5 3 2 3 8 15 2 8 3 3 2 4 3 3 4 12 2 3 1 2 3 4 10 5 6 3 3 2 2 3 5 18 10 5 3 4 3 5 4 4 5 4 6 8 11 5 2 2 2 2 1 2 3 2 4 21 10 1 2 2 2 2 5 15 13 52 22 10 6 3 30 13 30 11 3 2 3 3 7 12 7 2 1 2 2 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 0 2 3 2 0 3 13 5 1 33 100 51 18 7 2 3 4 3 2 2 3 2 2 1 2 1 1 3 2 1 2 5 4 9 29 14 17 4 4 3 2 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; 1HNMR: 87 87 t 1H J 17 | 84 83 ddd 1H J 15 22 37 | 82 82 d 1H J 25 | 81 80 dt 1H J 19 77 | 77 77 dd 1H J 25 91 | 74 73 m 4H | 71 70 d 1H J 91 | 69 69 m 2H | 51 51 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCC(=O)O)N1CC=C(c2ccccc2)CC1
ir: 1 1 1 1 2 2 5 5 6 7 6 5 4 5 6 3 4 6 12 18 36 76 17 34 17 4 4 4 1 2 6 4 3 1 4 1 2 1 3 9 20 26 12 1 2 1 2 2 1 1 1 3 1 1 0 1 1 2 3 1 3 1 1 1 2 5 7 5 3 9 3 6 4 4 5 2 9 16 12 14 3 4 3 11 6 5 11 10 3 4 13 4 3 2 3 2 3 5 6 5 4 4 2 3 1 1 0 2 1 2 0 2 1 2 8 3 7 6 4 4 6 4 10 6 3 2 3 3 5 4 5 3 6 11 6 12 9 2 4 3 3 9 25 47 20 13 8 1 4 2 2 8 10 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 3 1 1 1 3 2 2 4 4 11 9 13 38 13 5 3 3 2 0 3 9 88 100 10 2 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 74 73 m 3H | 61 61 tt 1H J 9 35 | 35 35 ddt 1H J 10 36 139 | 35 34 ddt 1H J 9 35 138 | 31 29 m 3H | 29 28 m 1H | 28 27 h 1H J 65 | 25 24 dt 1H J 82 154 | 24 23 dt 1H J 82 154 | 20 18 dtd 1H J 64 82 126 | 17 16 dtd 1H J 63 81 124 | 12 11 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(C(F)(F)F)N(C(=O)OCc2ccccc2)C1
ir: 22 33 12 14 40 29 14 8 9 7 6 5 4 4 8 7 3 17 3 4 5 12 9 6 8 7 3 12 13 11 5 12 17 7 2 4 4 8 3 10 38 17 5 5 7 5 3 3 4 4 3 3 3 2 3 4 4 3 3 4 4 4 4 4 7 4 4 7 14 15 3 2 4 3 3 4 4 3 6 3 3 3 3 2 3 3 5 5 29 24 2 11 7 4 5 7 13 13 12 5 10 26 31 14 7 5 12 12 34 35 22 18 11 10 31 12 23 16 17 12 35 18 23 7 7 11 7 8 10 5 6 6 4 3 1 24 13 11 10 6 4 6 38 76 20 9 11 4 4 2 28 100 6 6 4 0 1 4 3 0 2 4 2 0 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 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 3 3 3 4 7 10 7 7 5 6 5 14 8 8 23 12 48 89 31 8 5 4 3 5 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 74 73 m 5H | 51 51 s 2H | 44 43 m 1H | 41 40 dd 1H J 44 117 | 39 38 dd 1H J 44 115 | 36 35 s 2H | 28 27 tt 1H J 44 60 | 22 20 m 2H | 20 19 ddddd 1H J 23 49 77 84 122 | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1c2c(c3ccccc3c3ccccc23)-c2c1c1ccccc1c1ccccc21
ir: 7 1 11 2 2 2 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 3 15 14 46 100 45 31 6 4 1 2 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 3 13 16 8 4 2 3 1 2 2 16 3 5 6 7 36 74 11 6 4 1 2 3 3 2 2 2 2 0 1 2 1 1 2 2 2 2 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 3 5 8 3 8 10 9 3 10 10 34 19 3 1 3 3 5 1 6 3 6 6 7 4 1 1 2 5 21 2 1 1 1 1 3 2 1 1 4 2 1 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 2 3 4 3 5 34 28 41 48 10 24 8 5 44 100 26 13 7 2 3 4 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 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 1 1 1 0 1 1 1 0; 1HNMR: 87 87 dd 2H J 12 77 | 87 86 dd 2H J 13 77 | 83 83 dd 2H J 13 82 | 80 80 dd 2H J 14 76 | 77 76 tdd 4H J 13 24 77 | 76 75 td 4H J 12 78 | 48 48 t 1H J 44 | 43 42 dd 2H J 44 58 | 32 31 t 1H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC(=O)c2ccc(C)n(-c3ccccc3)c2=O)cc1
ir: 0 1 1 1 0 1 2 3 2 2 3 4 1 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 8 6 4 5 14 1 2 6 7 9 15 1 1 2 1 2 3 2 1 4 6 57 18 19 3 3 3 2 1 1 2 3 1 1 1 1 2 12 2 1 1 1 1 1 3 10 3 1 1 1 0 1 1 2 6 3 1 1 1 1 1 1 1 1 1 7 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 0 1 1 1 2 4 4 2 3 2 1 2 2 1 2 1 2 1 2 1 1 4 1 1 1 1 1 1 7 7 7 55 61 8 6 1 4 7 15 2 1 2 13 4 1 2 17 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 4 2 7 11 100 14 18 6 2 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 3 14 7 3 7 6 12 8 5 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 1 1; 1HNMR: 91 90 t 1H J 57 | 80 79 dq 1H J 10 71 | 75 74 m 1H | 74 74 m 4H | 72 72 dp 2H J 9 80 | 69 69 dq 1H J 15 71 | 69 68 m 2H | 46 45 dt 2H J 9 57 | 38 38 s 2H | 24 24 t 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1nc(-c2nc(C#N)c(N=CN(C)C)nc2-c2cccc(F)c2)ccc1=O
ir: 9 11 3 9 13 15 14 9 9 14 15 18 14 6 2 11 53 27 8 6 29 11 5 10 10 4 4 5 9 14 22 55 16 7 5 3 6 4 4 39 8 1 3 8 4 0 5 20 21 15 6 6 4 3 4 7 12 41 37 16 7 3 6 7 4 5 15 27 16 6 5 10 11 8 10 17 10 17 11 10 6 4 7 5 3 2 9 8 23 6 13 8 13 14 23 30 6 4 7 5 5 13 12 13 38 58 41 32 38 16 13 16 16 19 32 18 20 16 12 20 12 17 48 23 19 6 20 11 7 7 6 3 1 5 5 2 1 4 6 11 14 14 9 5 25 15 9 7 26 9 7 4 22 12 18 9 4 9 13 28 9 8 58 3 3 5 2 0 2 4 2 1 2 4 2 1 3 4 2 1 2 3 18 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 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 1 2 3 3 2 4 6 3 2 3 5 4 2 5 8 6 5 9 13 23 6 12 61 44 100 9 6 4 2 3 4 3 2 3 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 79 m 2H | 79 78 dd 2H J 22 96 | 76 75 td 1H J 51 81 | 73 72 dddd 1H J 13 22 79 102 | 68 68 d 1H J 99 | 45 44 hept 1H J 69 | 29 28 d 6H J 11 | 14 14 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(=O)C(Cl)(Cl)Cl)cn1CC(=O)c1ccc(Cl)cc1
ir: 5 7 6 3 2 15 3 16 5 6 10 3 10 10 3 2 1 1 1 2 3 6 6 3 10 54 14 2 3 4 7 11 4 2 2 7 9 10 61 11 100 7 2 0 3 13 11 2 2 2 3 2 3 5 16 10 5 7 3 7 1 2 1 0 1 2 2 1 4 18 7 4 2 12 1 1 5 6 2 1 1 1 0 0 1 1 3 4 5 1 3 16 17 3 2 2 4 3 4 5 2 1 1 1 1 1 1 2 13 50 4 5 3 3 5 7 44 36 24 29 14 4 1 3 11 31 13 8 13 5 3 2 3 1 1 2 2 2 3 3 6 10 20 33 7 7 52 26 11 23 22 5 3 0 1 2 1 1 12 5 1 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 5 4 2 2 3 3 3 4 6 4 36 37 20 32 26 15 6 17 5 1 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 79 78 m 2H | 76 76 d 1H J 16 | 75 75 m 3H | 56 56 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCC(=O)O
ir: 1 1 0 0 1 1 0 1 1 1 2 9 5 4 4 1 1 2 1 14 69 29 12 2 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 4 5 1 0 1 2 2 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 3 7 21 100 56 4 3 1 3 5 4 4 8 3 1 2 8 10 1 0 1 1 1 1 1 2 2 1 1 1 0 0 0 1 0 0 0 1 1 2 2 1 1 0 1 2 1 1 1 1 0 0 0 0 0 1 1 1 0 2 3 3 1 1 1 2 2 3 18 5 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 1 3 1 0 0 0 1 1 0 0 0 0 1 19 69 43 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 28 28 t 2H J 63 | 26 25 t 2H J 63 | 24 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CSc1ccc(Br)cc1N)C(=O)O
ir: 4 7 12 8 8 4 0 5 6 11 8 4 4 3 14 4 6 7 5 5 24 16 3 6 6 6 5 4 5 35 50 10 17 22 3 4 5 5 3 4 3 2 4 2 2 2 1 0 2 2 1 0 1 9 9 2 1 2 1 3 1 1 2 1 1 1 3 9 1 1 1 0 1 2 1 3 3 3 8 9 13 5 1 1 3 5 4 1 4 4 7 1 1 0 1 7 2 1 3 3 1 2 1 1 4 4 3 1 1 1 1 0 1 1 2 3 1 2 4 5 1 23 5 2 3 1 1 2 2 5 3 4 2 1 0 1 1 2 2 2 2 3 59 5 5 47 10 21 4 9 2 3 2 3 4 11 5 2 2 3 18 2 1 0 1 1 0 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 1 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 3 4 1 8 9 5 4 7 7 2 1 1 1 1 1 6 83 100 6 3 1 1 2 1 8 5 53 5 2 4 8 12 20 23 4 3 2 16 19 2 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 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 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; 1HNMR: 72 72 dd 1H J 20 84 | 72 71 d 1H J 84 | 69 68 m 2H | 46 45 dt 1H J 51 79 | 43 42 s 2H | 33 32 dd 1H J 51 139 | 30 30 dd 1H J 51 141 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CSC(=O)N1Cc1c[nH]nn1
ir: 1 5 9 5 3 6 5 3 1 2 3 2 1 4 5 2 0 2 2 1 1 9 8 1 0 4 5 1 1 2 2 1 2 3 30 4 1 3 3 1 6 26 20 33 23 13 4 1 2 4 4 2 8 3 3 3 2 4 3 0 2 3 2 3 5 3 6 3 3 3 1 0 2 2 1 0 2 2 1 0 2 3 2 1 2 2 0 1 2 2 1 1 5 6 2 13 16 4 1 4 9 2 1 1 2 2 0 1 4 9 20 2 3 2 0 1 3 7 5 4 5 8 5 2 3 3 4 3 4 2 1 3 4 3 1 2 3 4 2 2 3 5 16 7 3 0 1 5 7 58 100 90 17 26 3 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 5 4 2 3 2 1 1 2 2 1 4 4 2 1 4 7 13 8 5 5 2 2 2 3 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 22 12 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 97 97 d 1H J 18 | 81 81 dt 1H J 8 16 | 50 49 d 2H J 7 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccnc(OCc2ccccc2)c1
ir: 0 1 1 1 2 6 6 1 0 1 1 3 2 3 1 1 2 1 1 2 1 4 34 5 1 2 1 3 1 1 3 3 3 8 4 1 1 4 4 3 19 2 0 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 2 2 1 1 3 3 2 8 3 5 10 4 3 7 1 0 2 2 1 2 2 4 10 3 4 51 3 2 7 8 7 3 2 1 1 1 3 2 1 5 1 0 1 1 1 0 0 1 1 5 1 1 0 0 0 1 1 0 1 2 2 1 3 2 2 0 3 2 1 1 1 1 2 2 7 2 35 4 0 1 1 4 7 2 3 3 13 1 1 1 1 2 2 1 0 0 1 1 8 31 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 3 2 1 5 10 7 4 2 1 6 4 12 53 16 8 4 4 5 2 4 100 37 4 3 2 2 2 1 0 1 1 1 1 2 3 1 2 6 2 3 1 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 42 | 74 74 ddt 2H J 9 16 68 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 70 70 ddt 1H J 9 20 40 | 66 66 dt 1H J 9 19 | 54 53 t 2H J 8 | 48 48 dt 2H J 9 57 | 28 27 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCC(=O)c1cc(C(=O)OC)c(N)cc1C(F)(F)F
ir: 4 2 1 2 1 1 4 2 6 3 2 4 6 6 4 2 4 10 3 2 1 1 1 1 1 0 1 1 1 0 1 3 1 1 1 1 1 1 1 2 2 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 9 3 5 1 2 1 0 1 2 2 1 1 2 1 1 2 11 1 1 1 1 0 0 1 1 0 0 2 3 1 1 4 8 1 1 2 3 1 1 2 2 4 1 2 1 1 7 2 1 1 1 2 1 1 2 3 1 1 2 5 2 1 2 5 2 1 1 1 1 1 2 4 1 2 3 2 0 0 1 1 0 0 1 1 0 1 3 2 1 1 19 28 8 3 3 1 1 4 9 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 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 1 1 1 1 1 1 1 1 2 4 2 5 7 3 1 1 1 1 0 1 1 0 0 0 1 0 1 0 0 1 10 37 2 0 0 1 1 0 0 1 4 3 4 100 4 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 s 1H | 74 73 q 1H J 21 | 65 65 s 2H | 39 38 s 3H | 38 37 t 2H J 62 | 34 33 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1nsc(S(C)(=O)=O)c1C#N
ir: 2 3 2 5 16 43 59 23 10 6 4 4 9 2 5 3 1 2 2 1 1 2 3 1 1 1 1 1 1 1 2 2 3 2 2 5 2 2 3 6 2 1 1 1 1 1 1 1 2 4 3 2 1 2 2 3 3 7 3 8 5 4 1 2 3 9 12 11 2 6 5 1 3 4 3 2 9 6 10 8 3 2 3 2 2 42 28 3 2 2 2 1 4 4 6 15 21 4 2 1 2 1 1 1 3 5 13 6 5 2 1 1 1 1 1 1 1 2 6 8 4 15 100 14 4 4 7 2 2 1 0 1 2 1 0 2 2 0 0 7 25 42 6 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 5 1 2 2 1 1 1 1 1 2 2 4 7 8 14 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 51 51 d 2H J 24 | 35 35 s 3H | 26 26 t 1H J 26
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccn2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)c2c1
ir: 4 5 9 9 12 6 4 2 8 5 5 14 9 7 4 7 7 5 2 4 11 9 13 11 17 10 18 8 11 6 5 10 12 26 9 22 9 10 4 8 2 2 2 6 3 0 1 5 4 1 6 12 15 61 100 14 20 12 9 3 4 2 3 2 3 2 4 6 3 3 5 6 5 5 7 17 3 2 2 2 1 1 2 3 2 1 2 2 7 5 1 2 2 2 2 1 5 4 24 6 0 4 8 4 2 6 6 7 5 19 9 18 5 5 22 24 10 7 17 4 13 16 4 4 5 6 9 14 8 13 7 2 3 4 24 3 1 3 2 2 13 2 9 15 14 52 38 36 15 59 14 0 2 7 7 10 44 87 40 3 5 17 11 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 10 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 2 3 1 3 4 8 5 2 10 38 23 7 27 3 1 2 3 3 2 3 2 3 2 5 4 8 9 16 74 26 15 12 16 38 79 19 7 6 2 2 2 1 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 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; 1HNMR: 91 90 s 1H | 89 88 d 1H J 55 | 83 82 d 1H J 38 | 81 81 d 1H J 12 | 74 74 dd 1H J 13 55 | 65 65 d 1H J 40 | 64 64 d 1H J 82 | 37 36 m 1H | 32 31 ddd 1H J 17 48 127 | 29 28 m 2H | 28 27 m 2H | 21 20 dddd 1H J 34 58 83 139 | 19 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1
ir: 5 11 2 3 2 2 1 2 2 1 2 3 22 4 3 2 3 13 4 6 3 4 3 6 11 7 8 6 23 28 31 9 6 4 5 20 8 17 4 7 54 3 42 70 5 9 5 12 28 8 4 5 4 7 2 2 2 1 2 2 2 1 2 6 2 13 9 3 15 6 10 2 2 1 2 8 2 2 6 2 1 3 4 4 2 2 2 3 1 1 2 2 1 1 2 3 3 4 4 10 2 1 2 2 2 2 5 10 19 6 11 21 9 6 6 2 5 5 8 9 14 16 6 7 3 10 4 4 4 7 14 3 1 3 10 30 2 3 2 8 18 5 4 12 71 30 38 24 15 7 20 11 100 12 3 12 5 3 2 52 8 16 4 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 3 2 3 5 3 2 2 3 3 3 5 20 35 0 18 73 33 7 5 4 3 1 2 2 3 2 2 2 2 2 3 2 2 3 4 6 5 22 12 14 60 12 58 15 4 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 79 78 dd 1H J 13 70 | 76 75 dd 1H J 20 75 | 75 74 m 6H | 72 72 td 1H J 13 74 | 70 69 td 1H J 21 71 | 69 68 t 1H J 46 | 39 38 s 2H | 32 31 q 2H J 51 | 16 15 tt 2H J 52 71 | 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.
CCOC(=O)c1cccn(Cc2ccccc2-c2cccc(C(C)C)c2)c1=O
ir: 3 2 2 4 3 3 6 2 1 3 3 2 2 2 1 2 1 3 12 3 2 3 2 1 1 1 2 1 1 1 1 1 8 2 2 0 1 1 1 1 2 5 39 7 10 74 22 10 25 0 3 7 4 2 2 2 1 0 1 1 1 0 1 1 3 2 2 4 7 6 2 1 7 6 4 1 3 2 6 3 2 2 2 2 1 1 2 1 1 4 11 16 5 5 1 1 2 2 2 1 1 1 1 2 5 9 6 3 4 2 1 1 1 1 3 2 1 2 1 3 3 9 12 4 2 3 4 3 2 19 1 2 3 2 5 4 5 31 7 9 8 14 14 10 6 10 3 4 3 4 11 66 6 5 2 2 1 9 9 3 3 4 4 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 12 6 12 100 58 22 9 2 2 2 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 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 1 0 0 1; 1HNMR: 83 82 dd 1H J 13 79 | 80 80 dq 1H J 10 75 | 76 75 m 1H | 75 73 m 6H | 73 72 m 1H | 69 68 t 1H J 77 | 52 52 m 2H | 43 43 q 2H J 71 | 31 30 m 1H | 13 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(Cc1ccccc1)C(=O)O)c1cc(-c2ccc(OCc3ccccc3)cc2)on1
ir: 0 1 1 1 1 1 1 1 3 3 6 5 5 3 11 7 8 5 9 18 14 6 4 3 3 5 6 24 6 6 9 10 4 1 3 2 2 1 4 14 7 5 2 2 4 10 12 2 1 1 1 2 1 1 7 16 5 1 1 1 1 1 1 2 2 1 2 2 3 6 4 5 3 4 1 1 4 4 25 24 4 1 2 2 1 2 1 3 3 4 1 1 1 2 2 3 2 5 3 2 1 1 1 0 0 1 1 1 3 2 1 2 1 2 1 1 0 2 6 4 10 8 12 5 3 1 1 2 2 2 2 2 3 1 2 4 14 8 3 1 2 6 18 28 14 26 12 3 5 15 3 3 2 1 1 1 0 0 0 0 0 0 0 0 2 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 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 1 0 0 0 0 0 0 1 1 0 1 1 1 2 2 4 3 4 6 14 18 40 17 8 4 3 2 1 2 6 47 100 9 2 1 2 0 1 1 1 1 1 1 1 10 16 6 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 s 1H | 90 89 d 1H J 97 | 77 76 m 2H | 74 73 m 4H | 73 72 m 6H | 71 70 m 3H | 51 50 d 2H J 10 | 47 46 dt 1H J 68 99 | 34 33 ddt 1H J 9 69 142 | 32 31 ddt 1H J 7 67 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccnc1)N1CCC2C(C#Cc3cccc(Cl)c3)=NOC21
ir: 4 4 5 14 7 4 4 4 3 3 5 4 5 7 4 3 3 4 4 3 4 4 4 6 6 17 5 9 8 7 5 7 13 12 5 3 5 8 7 18 5 32 46 14 12 9 4 10 13 17 6 4 3 3 6 12 6 3 5 6 9 9 6 22 6 4 13 6 12 23 6 5 3 3 3 4 9 7 7 5 4 7 5 4 3 3 4 8 5 4 6 9 4 4 4 8 4 4 6 3 3 5 25 12 9 30 5 5 3 4 8 9 11 5 7 6 6 5 7 5 4 4 5 5 16 10 6 6 4 6 4 4 3 4 4 3 4 6 24 16 36 7 5 3 5 36 13 6 6 5 5 0 26 100 36 5 4 4 4 7 5 7 4 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 12 11 7 5 10 7 29 72 39 15 5 5 4 6 8 4 5 4 3 3 3 3 3 3 3 4 4 4 6 16 28 71 7 12 5 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; 1HNMR: 87 87 dd 1H J 13 19 | 84 84 s 1H | 84 83 ddd 1H J 14 22 37 | 80 79 dt 1H J 20 79 | 75 75 t 1H J 21 | 75 74 ddd 1H J 14 22 68 | 74 73 m 2H | 73 73 t 1H J 69 | 60 59 d 1H J 44 | 38 37 ddd 1H J 48 66 130 | 37 36 ddd 1H J 47 65 128 | 35 35 dt 1H J 31 44 | 24 23 dddd 1H J 32 47 66 114 | 21 20 dddd 1H J 31 48 66 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CN=[N+]=[N-])Cn1c(=O)c2c(C)n(Cc3ccccc3)nc2c2cc3c(cc21)CCCC3
ir: 4 3 0 7 3 6 12 7 9 7 7 13 4 6 4 3 5 4 2 6 6 4 3 4 3 3 2 3 4 3 5 26 10 5 16 5 5 4 4 5 16 3 4 6 5 5 5 3 7 8 14 68 10 4 4 5 4 2 3 3 3 4 4 7 7 3 8 17 23 34 9 6 3 3 3 6 6 3 8 4 3 3 4 4 2 3 8 4 4 9 4 3 3 12 10 4 4 3 11 7 5 6 5 7 4 3 6 6 5 7 4 3 3 9 5 6 7 7 6 3 8 8 8 9 7 9 2 6 4 7 4 4 8 5 14 7 7 3 3 3 4 37 17 5 5 6 4 6 15 2 3 1 18 5 100 3 4 21 24 6 2 1 2 2 2 9 6 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 4 4 6 6 4 4 4 3 10 9 14 24 9 12 69 36 10 5 5 3 2 5 4 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 t 1H J 9 | 73 72 m 3H | 71 71 m 3H | 54 53 t 2H J 8 | 41 41 dtdt 1H J 16 29 44 61 | 39 38 dd 1H J 45 120 | 38 38 dd 1H J 50 107 | 36 36 dd 1H J 44 121 | 36 35 dd 1H J 50 107 | 33 32 d 3H J 15 | 28 27 m 4H | 25 25 s 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCON=CC(C(=O)c1ccc(Br)cc1CS(C)(=O)=O)C(=O)C1CC1
ir: 4 6 14 33 5 5 8 4 7 8 15 17 9 5 6 4 4 8 6 4 4 4 3 5 5 7 9 7 4 5 10 8 5 5 5 7 7 12 7 9 6 6 11 5 6 4 7 4 7 5 5 2 5 7 22 6 6 13 8 6 4 3 4 4 2 5 5 16 23 77 8 0 5 7 8 7 5 5 3 2 3 4 4 6 10 7 15 100 9 8 13 6 4 4 4 4 30 5 6 5 7 6 15 48 14 20 17 6 12 7 9 11 6 10 8 11 6 8 2 7 11 15 18 7 10 5 3 4 6 8 7 8 4 4 4 7 6 8 8 28 18 14 6 7 9 7 21 43 18 4 15 16 7 19 9 7 3 2 2 4 4 15 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 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 3 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 7 8 3 4 3 4 12 6 7 10 5 14 14 36 18 20 21 29 35 13 13 10 6 7 5 2 3 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 78 78 m 1H | 77 76 d 1H J 87 | 75 74 dd 1H J 22 88 | 73 72 d 1H J 112 | 46 46 d 2H J 8 | 42 41 d 1H J 63 | 41 41 m 2H | 30 30 s 2H | 24 23 p 1H J 57 | 14 13 t 3H J 60 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]nc(-c2ccc(F)cc2)c2ccc(F)cc12
ir: 6 1 2 4 1 1 2 3 2 1 1 1 2 4 11 1 1 1 1 1 1 2 1 1 2 12 2 1 1 1 1 5 9 2 2 2 1 2 1 0 1 1 2 1 6 4 1 0 2 100 15 2 4 2 15 43 4 4 2 1 1 1 1 1 1 1 1 2 15 2 1 1 1 1 1 1 1 1 1 1 5 8 1 1 1 1 2 1 1 2 2 4 4 1 1 1 1 1 2 6 7 9 3 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 3 7 12 13 6 4 3 3 1 1 1 1 1 1 20 3 2 3 1 18 1 1 1 2 1 4 3 2 0 8 6 8 25 5 3 1 1 1 1 1 2 18 2 4 4 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 12 49 23 5 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 4 36 12 9 18 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 77 76 m 2H | 73 72 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCC(O)COc1ccc2c(Oc3ccc4c(C(=O)NC)c(C)oc4c3)ccnc2c1
ir: 11 25 6 6 6 18 8 9 8 9 10 13 4 11 8 18 10 5 13 16 19 10 9 5 5 15 14 4 1 1 3 2 3 3 6 5 3 5 6 9 9 8 21 35 21 11 11 9 13 58 16 15 7 18 24 27 34 17 5 10 14 10 10 8 16 11 28 51 28 14 9 17 18 6 11 5 9 5 8 20 4 3 6 3 3 7 6 19 48 26 8 5 6 3 2 8 2 6 17 2 2 2 2 2 3 3 7 7 3 7 6 11 25 52 53 17 8 5 7 10 22 6 27 31 6 4 5 14 4 7 4 4 7 7 7 5 4 1 3 8 31 14 8 8 3 7 8 23 23 9 5 7 28 31 86 34 9 2 4 100 2 5 2 0 2 3 9 2 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 2 1 1 2 1 2 2 1 1 2 2 1 2 2 2 2 5 4 16 25 14 41 56 31 20 15 8 11 7 26 88 40 14 10 5 2 4 2 2 6 11 47 99 40 7 5 9 11 40 14 12 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 49 | 83 83 d 1H J 89 | 77 76 d 1H J 88 | 72 72 d 1H J 24 | 69 69 td 3H J 25 47 | 69 68 dd 1H J 21 89 | 65 65 q 1H J 49 | 41 41 dd 1H J 47 127 | 40 40 dt 1H J 46 53 | 39 38 m 3H | 29 29 m 4H | 27 27 ddd 1H J 49 62 132 | 25 24 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc(N)cc1OC1CN2CCC1CC2
ir: 10 6 4 7 2 7 6 6 5 12 11 5 3 2 6 7 8 4 5 3 5 2 5 2 6 8 7 24 11 7 4 4 3 3 4 1 2 2 5 19 8 20 6 2 4 6 20 4 13 3 3 6 2 5 2 1 2 5 2 1 2 3 5 0 3 10 32 12 5 4 4 3 3 4 14 11 4 3 2 1 2 9 13 1 2 1 1 3 3 1 2 1 2 1 1 7 12 5 8 4 2 1 1 2 4 2 2 2 6 2 2 2 3 1 2 3 4 3 0 1 2 2 0 2 3 1 1 3 3 1 0 1 2 1 1 2 4 22 5 2 2 1 0 5 18 51 7 5 8 30 51 11 78 5 4 3 2 1 1 14 100 9 2 0 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 2 1 6 10 6 3 27 9 2 2 1 1 3 1 1 1 2 1 1 1 1 1 2 4 25 19 1 2 1 1 1 1 1 1 1 2 18 43 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 85 s 1H | 62 62 s 2H | 62 61 s 1H | 49 48 dt 1H J 24 53 | 31 31 dd 1H J 24 145 | 30 28 m 5H | 21 20 dp 1H J 46 54 | 20 19 ddt 2H J 46 71 141 | 17 16 ddt 2H J 47 73 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc2ncccc2c1
ir: 1 1 6 17 1 1 1 1 1 5 4 6 3 2 1 6 2 2 10 2 1 1 1 1 1 1 3 1 1 1 1 18 1 1 1 2 2 1 2 4 43 5 6 3 1 2 3 10 1 3 2 4 10 7 6 6 100 30 7 4 3 2 4 13 1 2 2 2 2 3 34 4 3 2 2 2 1 2 3 4 1 1 1 1 9 1 2 2 2 17 6 2 2 24 9 5 5 26 2 2 2 1 1 1 2 4 1 2 5 11 6 3 5 2 2 2 2 3 4 7 4 8 3 2 2 3 13 3 2 1 1 1 1 1 1 1 1 3 15 2 1 1 1 1 1 2 12 6 3 5 32 14 2 5 3 77 53 3 1 3 1 0 1 1 1 1 3 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 3 1 2 5 5 5 2 2 2 3 2 1 2 17 10 4 6 65 16 8 4 1 2 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 dd 1H J 17 41 | 81 80 dt 1H J 20 83 | 79 79 d 1H J 80 | 77 76 td 1H J 11 22 | 74 73 m 2H | 26 25 tt 2H J 9 76 | 16 15 p 2H J 75 | 14 13 m 4H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCN1CCC[C@H]1CF
ir: 1 2 1 5 13 7 3 4 9 34 30 14 5 3 2 2 3 1 4 1 5 6 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 4 3 3 2 1 1 3 1 1 4 3 2 4 2 1 1 1 2 4 3 1 1 1 1 1 6 16 5 2 2 4 7 52 100 29 5 2 4 1 3 3 6 3 2 3 2 1 1 1 2 3 2 2 2 0 2 2 2 1 2 1 1 1 1 1 1 2 2 2 1 2 3 2 1 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 2 2 3 2 1 1 2 1 1 0 7 0 1 1 1 0 1 1 1 8 49 77 26 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 45 45 dd 0H J 37 89 | 44 44 dd 0H J 35 90 | 43 42 dd 0H J 36 89 | 42 41 dd 0H J 38 90 | 37 36 m 2H | 32 31 m 2H | 29 28 m 1H | 28 27 m 2H | 27 26 dt 1H J 59 124 | 20 19 m 1H | 19 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(/C=C/C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)c2)c1
ir: 6 5 4 4 2 4 5 5 7 5 7 7 15 12 4 6 13 23 8 4 4 5 4 4 3 2 2 5 14 9 4 3 8 6 4 3 5 2 1 2 2 2 2 6 4 1 11 46 21 13 4 5 2 8 10 11 26 28 12 16 7 0 5 12 20 18 14 16 20 16 10 7 4 2 4 5 7 17 7 16 29 15 19 4 3 1 4 6 4 3 8 31 4 2 3 3 2 2 7 8 15 4 2 3 5 6 12 7 33 14 12 5 2 3 4 4 0 6 6 8 15 5 5 7 19 9 13 18 28 6 7 2 4 3 15 8 1 5 7 12 13 7 24 40 84 12 18 10 3 5 7 89 42 10 14 32 9 8 4 4 6 9 3 6 2 3 2 8 2 2 2 1 2 2 2 1 2 1 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 3 2 3 3 2 3 4 3 2 5 5 4 2 5 10 19 18 39 100 40 16 22 8 7 12 4 6 6 4 2 1 3 3 2 2 2 2 2 3 5 14 12 29 16 4 7 6 3 2 3 2 1 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 1 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 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 95 95 s 1H | 77 76 m 2H | 74 74 m 1H | 73 73 t 1H J 81 | 71 71 m 3H | 71 70 dt 1H J 25 80 | 68 67 dt 1H J 8 45 | 67 67 d 1H J 159 | 55 55 d 2H J 9 | 38 38 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cnccc1Cl
ir: 13 29 13 9 10 19 17 5 5 5 5 4 7 11 11 26 11 7 5 4 4 4 4 3 3 4 4 3 4 4 5 4 5 3 11 11 7 6 5 5 8 6 4 4 6 8 5 3 4 4 4 4 3 5 6 5 5 6 5 4 4 6 24 6 6 5 5 2 10 16 6 5 8 27 19 8 9 14 14 25 31 39 41 27 43 79 100 57 22 24 43 21 7 12 6 8 5 4 5 6 10 6 5 7 6 4 5 5 6 5 7 18 10 21 10 15 21 25 55 49 16 8 3 4 6 4 3 4 5 3 3 4 5 4 3 4 4 4 6 5 5 3 3 5 6 19 26 4 4 5 4 4 9 8 6 4 5 12 41 8 5 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 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 4 5 4 4 4 6 5 3 4 5 6 17 15 7 3 3 4 5 3 2 4 5 3 2 4 6 4 4 9 27 78 53 19 9 0 85 53 3 14 8 13 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 4 3 4 4 4 3 3 3 3 3 3 3 3 3 3 4 4 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; 1HNMR: 90 90 d 1H J 14 | 86 86 dd 1H J 13 33 | 75 74 d 1H J 34 | 72 72 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(Cn2ccc3ccc(C(=O)NCc4cncnc4)cc3c2=O)cc1
ir: 1 2 2 1 1 1 1 1 1 2 2 1 6 1 2 3 3 1 1 1 4 2 2 1 2 5 7 2 13 4 1 2 0 1 1 16 5 3 9 4 9 9 10 9 3 3 7 4 5 1 1 0 1 1 2 2 5 5 2 1 1 1 1 1 2 1 1 0 0 1 1 1 0 0 0 1 1 0 0 3 1 0 0 0 1 1 0 1 4 1 2 1 1 1 1 0 1 1 1 2 3 1 1 1 1 3 1 1 1 0 3 11 2 6 1 1 3 15 3 7 3 2 3 3 14 3 4 3 1 2 3 0 2 3 4 2 1 1 2 8 2 1 5 19 22 5 9 2 1 7 5 10 2 5 4 100 6 3 31 4 1 1 1 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 1 2 3 5 16 34 4 13 4 7 1 1 1 1 1 1 0 1 1 1 0 1 0 1 1 1 1 2 3 4 14 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 t 1H J 17 | 86 86 dt 2H J 8 17 | 85 85 d 1H J 22 | 81 80 m 2H | 79 78 m 2H | 78 77 dd 1H J 7 86 | 74 73 dt 2H J 8 85 | 73 72 dt 1H J 9 75 | 69 69 dd 1H J 7 75 | 52 52 q 2H J 9 | 47 47 dt 2H J 9 75 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cccc(Nc2nc(SC)[nH]c(=O)c2C(N)=O)c1
ir: 2 1 2 1 8 10 3 3 7 4 4 2 2 4 8 9 5 5 2 2 4 6 15 13 33 6 7 2 2 2 1 1 0 1 2 3 1 3 6 8 5 3 3 6 14 11 11 12 14 12 3 1 2 2 1 0 1 2 2 1 1 1 0 0 1 2 1 2 1 4 2 2 1 1 2 2 4 6 7 2 2 2 2 1 1 1 1 0 1 1 1 1 2 4 5 1 1 1 1 0 1 0 0 0 1 1 4 1 1 1 0 2 1 2 4 3 3 1 2 2 16 3 2 3 4 1 1 1 1 1 1 3 2 0 0 1 2 7 6 4 2 4 10 7 17 11 11 5 3 1 1 6 25 100 28 16 8 3 6 49 21 11 2 0 2 15 6 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1 2 2 2 1 2 5 4 10 11 4 4 2 3 2 1 2 2 3 17 46 3 1 2 2 1 12 2 1 1 2 4 9 8 5 12 10 3 1 17 23 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 83 83 s 2H | 76 75 m 2H | 74 73 m 2H | 65 65 q 1H J 51 | 30 30 d 4H J 51 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(P(CCP(c2ccccc2)c2ccccn2)c2ccccn2)cc1
ir: 1 2 2 5 4 2 2 1 1 4 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 3 5 1 1 3 1 1 5 5 22 28 10 7 19 1 2 1 1 1 1 1 1 1 3 2 13 3 4 2 1 1 1 1 1 5 5 2 2 3 3 10 1 0 1 1 1 2 2 4 10 3 1 1 3 1 2 1 1 0 1 1 1 0 1 0 0 0 1 1 2 1 1 1 1 1 8 9 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 3 1 1 1 1 1 1 1 3 4 16 6 7 13 3 2 2 2 2 5 12 1 1 3 5 4 4 2 3 7 2 6 4 13 13 2 2 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 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 1 0 0 1 1 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 1 1 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 2 1 1 0 1 1 1 0 3 5 8 4 21 100 19 7 6 0 2 5 3 0 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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: 83 83 dd 2H J 17 38 | 78 77 dtd 2H J 16 71 85 | 74 73 m 12H | 73 72 ddd 2H J 14 37 68 | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1c[nH]c(=O)[nH]c1=O
ir: 1 1 1 1 1 1 1 2 1 1 2 1 4 1 1 1 2 2 1 2 1 2 1 1 2 2 3 5 1 1 2 1 1 1 1 1 1 1 1 1 2 2 6 3 5 2 2 2 2 1 3 3 2 3 3 11 2 6 3 1 1 2 1 1 1 3 3 5 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 5 2 1 2 1 1 2 3 7 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 6 2 2 2 1 1 1 2 4 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 2 1 1 1 2 4 6 3 8 13 4 3 9 4 2 2 2 1 3 3 3 100 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 10 20 6 3 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 8 20 13 4 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 18 64 | 73 72 m 2H | 73 72 m 4H | 72 71 m 1H | 70 70 d 1H J 28 | 69 69 dd 1H J 28 81 | 59 59 dd 1H J 9 18 | 38 38 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.
Ic1cc2ccccc2[nH]1
ir: 4 1 0 1 0 0 1 2 0 1 0 0 0 1 1 2 1 0 1 1 0 1 1 3 12 13 2 7 3 1 1 1 2 3 6 15 4 3 2 5 7 100 51 1 1 3 4 2 5 2 1 1 1 2 7 9 3 10 9 4 6 1 1 1 1 1 1 1 1 2 2 1 1 1 2 0 1 1 0 1 1 1 1 2 3 15 3 2 2 8 2 39 9 4 1 1 1 1 6 6 1 2 2 2 1 1 2 3 2 1 1 2 3 4 4 6 10 9 4 2 5 9 5 3 2 2 2 2 1 1 1 1 1 1 2 1 1 49 23 10 3 1 0 1 1 0 1 1 1 53 18 3 1 1 1 1 1 3 7 2 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 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 4 10 25 5 5 5 4 23 34 21 41 9 2 2 2 3 1 3 5 27 27 73 11 4 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 76 76 m 1H | 74 74 m 1H | 72 71 m 2H | 70 70 d 1H J 21
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1c(Br)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N
ir: 3 4 3 3 4 2 1 2 4 3 6 3 2 1 1 1 1 2 1 2 1 1 1 1 2 4 6 1 15 1 3 2 1 8 20 5 6 2 4 4 5 0 1 2 4 4 1 2 1 0 1 4 1 0 1 1 7 0 6 1 1 0 1 1 3 4 4 6 36 3 70 12 2 1 1 1 3 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 0 1 1 2 3 9 19 0 1 2 4 11 11 6 5 2 1 0 1 1 0 1 5 1 2 2 3 2 8 2 1 1 1 12 1 1 1 0 0 0 0 0 0 0 0 1 3 2 1 1 1 12 2 1 1 1 5 12 3 0 1 1 1 0 1 1 1 9 28 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 9 2 1 0 1 1 0 0 0 2 1 1 4 12 5 5 10 4 5 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 16 3 1 0 0 1 1 0 0 2 3 1 100 21 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 q 2H J 9 | 65 65 s 2H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cc(-c2cncc(-c3cc(C)cc(CN)c3)c2)cc(-c2ccccn2)n1
ir: 1 1 2 4 2 3 4 2 4 3 2 2 1 1 1 1 1 6 5 4 4 4 2 2 3 3 5 5 1 1 1 11 1 7 10 3 2 1 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 2 1 3 1 1 10 1 5 1 3 10 16 22 3 4 5 4 11 3 5 4 1 1 1 3 2 5 4 2 2 4 2 1 0 0 1 1 0 1 2 2 1 1 1 1 3 0 1 1 0 1 1 3 3 1 1 1 1 4 12 3 1 1 1 1 4 2 4 3 5 5 5 5 3 2 2 3 2 2 4 9 12 4 34 2 0 1 1 6 12 1 1 2 2 4 2 8 4 1 1 2 23 5 4 2 7 3 1 2 7 12 2 13 2 2 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 3 1 8 45 11 4 2 1 1 2 1 0 1 1 1 1 3 4 2 5 5 7 3 1 6 100 16 6 8 30 20 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 t 1H J 17 | 88 87 dd 1H J 17 41 | 87 86 t 1H J 16 | 86 86 dd 1H J 13 83 | 83 83 t 1H J 17 | 82 82 d 1H J 22 | 78 78 ddd 1H J 17 72 87 | 75 75 tt 1H J 9 21 | 73 73 m 1H | 72 71 m 2H | 71 70 d 1H J 22 | 62 61 t 1H J 38 | 40 39 tt 2H J 9 63 | 35 34 qd 2H J 38 66 | 24 23 t 2H J 62 | 23 22 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-n2cnc3cc(-c4ccoc4)ccc32)c1
ir: 86 20 14 8 11 16 12 2 1 2 5 12 14 7 3 5 6 8 14 9 4 28 7 7 5 2 3 7 14 8 29 7 22 12 4 5 4 1 2 15 14 8 2 2 4 5 2 7 33 2 3 6 27 36 42 0 21 15 3 1 3 19 24 1 5 5 22 12 23 15 39 6 2 7 6 10 20 5 2 17 4 7 4 7 44 35 6 18 28 4 1 4 3 2 2 2 3 2 4 5 12 35 6 3 5 2 2 5 5 3 7 10 10 8 5 12 7 5 4 5 12 5 8 4 4 4 1 4 2 1 1 2 4 3 5 34 7 4 1 35 7 5 2 3 1 3 7 3 44 13 3 5 20 24 3 2 8 1 1 1 1 1 1 1 1 3 2 4 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 2 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 3 8 26 67 48 36 99 66 8 8 6 7 3 4 85 100 9 5 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H | 85 84 d 1H J 77 | 83 83 t 1H J 21 | 79 79 d 1H J 21 | 79 79 ddd 1H J 13 21 73 | 78 78 dd 1H J 8 17 | 76 76 dd 1H J 21 78 | 76 75 m 1H | 75 75 m 1H | 75 75 ddd 1H J 13 22 66 | 67 67 dd 1H J 8 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccno2)cc1
ir: 10 5 4 9 10 11 12 8 18 7 10 20 25 27 29 8 10 3 1 7 8 3 2 7 8 2 2 7 7 3 4 8 7 6 6 9 7 1 3 8 6 1 4 9 6 0 4 11 12 30 38 39 27 52 14 45 6 2 6 10 10 5 8 12 7 2 7 9 8 7 18 11 5 3 8 11 4 2 8 14 11 8 21 33 52 27 36 14 9 10 41 16 4 4 9 6 3 5 16 11 4 4 8 6 6 19 15 24 0 5 10 6 0 5 9 5 1 9 13 7 6 19 14 5 2 7 10 5 2 10 18 21 17 11 10 4 2 7 7 3 3 7 8 6 7 44 100 91 26 16 9 12 8 18 11 9 5 8 6 3 5 9 6 5 10 9 5 1 5 9 5 1 5 9 5 1 5 8 4 2 5 8 4 2 6 7 4 2 6 7 4 2 6 7 3 3 6 7 3 3 7 6 3 3 7 6 3 3 7 6 2 4 7 6 2 4 7 5 2 4 8 5 2 4 8 5 1 5 8 5 2 5 8 4 2 5 8 4 2 5 7 4 2 6 7 4 2 6 7 3 3 6 7 3 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 4 9 6 3 5 8 7 3 6 9 5 4 7 10 11 28 74 83 88 57 47 52 8 5 8 11 6 3 6 8 4 2 6 7 4 3 6 7 4 3 6 7 3 3 7 6 3 3 7 6 3 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 8 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 3 6 6 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 6 3 4 6 5 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7 5 2; 1HNMR: 82 82 d 1H J 18 | 77 77 m 2H | 72 72 m 2H | 67 67 d 1H J 16 | 24 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCN(N)c1nc(Cl)ncc1C(=O)Nc1c(Cl)cccc1Cl
ir: 6 2 1 1 3 2 1 6 3 2 1 3 4 6 4 3 3 3 5 7 3 3 4 4 7 5 12 11 6 9 6 4 30 9 7 7 7 4 5 6 8 3 25 56 54 44 11 69 9 9 3 4 2 4 5 1 4 5 4 3 3 2 2 2 2 1 2 3 2 2 2 3 4 12 3 4 4 2 2 2 2 2 4 2 2 2 2 2 1 6 5 3 3 3 2 7 5 3 2 2 2 2 5 2 5 2 1 1 1 1 1 1 2 2 2 6 20 14 8 4 5 2 2 2 1 2 3 2 1 6 6 3 3 13 4 2 5 10 7 5 14 83 19 3 6 6 9 13 28 20 10 8 5 4 74 5 2 1 4 80 4 4 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 2 3 15 4 3 3 2 3 8 32 4 3 3 3 2 2 4 4 2 1 1 2 2 10 9 2 2 2 2 2 8 18 23 100 20 8 3 2 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; 1HNMR: 86 85 d 2H J 24 | 75 75 m 2H | 75 74 m 1H | 58 56 m 1H | 51 51 ddt 1H J 13 24 165 | 49 48 m 1H | 46 46 s 2H | 38 37 td 2H J 9 69 | 24 24 qt 2H J 14 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2ccc(I)cc2)CCC12CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)CC2
ir: 3 6 4 4 6 3 3 3 2 3 4 3 5 7 7 7 4 4 2 2 2 2 2 4 3 3 3 2 2 4 2 7 12 2 3 6 4 2 2 3 3 2 5 100 3 6 3 1 3 5 3 0 3 20 37 15 4 2 4 4 2 1 4 12 15 7 38 1 4 4 2 3 3 4 3 4 6 5 79 5 8 17 3 4 7 18 26 61 13 3 7 3 7 14 4 5 3 3 29 10 8 9 15 14 16 11 4 3 2 3 2 6 5 3 5 5 8 4 5 3 2 2 3 5 5 3 3 3 4 3 3 3 2 2 2 3 7 8 3 4 20 5 3 2 3 5 11 7 19 34 8 4 4 4 3 2 2 3 3 4 2 8 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 2 3 3 2 2 3 12 7 10 17 27 4 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; 1HNMR: 78 77 dd 1H J 14 86 | 77 77 m 2H | 75 74 dd 1H J 14 70 | 74 74 td 1H J 14 71 | 74 73 ddd 1H J 14 71 86 | 72 71 m 2H | 37 37 m 2H | 35 34 ddd 2H J 44 71 132 | 34 33 ddd 2H J 44 70 132 | 24 23 ddd 2H J 43 71 118 | 21 20 m 2H | 19 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CN(C)CCN1Cc1ccccc1
ir: 2 5 6 3 6 3 20 6 2 8 3 6 1 9 8 3 2 1 1 3 1 1 1 1 1 9 1 2 1 2 6 10 20 24 3 1 1 0 3 9 35 6 6 1 2 4 1 1 4 5 8 5 5 7 2 2 3 4 1 1 1 4 1 3 3 12 28 8 16 7 1 2 2 4 5 10 19 3 7 32 58 11 19 40 36 69 6 3 20 15 17 5 2 2 2 2 7 21 23 10 31 16 2 2 1 2 1 2 2 3 5 2 1 5 2 4 1 2 2 2 5 2 2 1 2 2 1 5 4 3 3 4 5 2 4 30 7 2 1 1 1 3 21 91 48 4 4 1 0 2 2 12 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 4 5 4 2 1 2 6 4 15 27 30 9 100 19 8 2 3 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 73 73 s 4H | 42 41 m 2H | 38 38 d 1H J 126 | 35 34 m 2H | 32 30 m 2H | 30 28 m 4H | 23 23 s 2H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2C[C@H](S(C)(=O)=O)C[C@H]2C(=O)O)n(Cc2ccccc2)n1
ir: 3 2 5 16 29 6 7 15 9 7 11 12 5 5 7 7 11 14 15 18 65 45 18 7 8 6 8 3 2 4 5 2 2 4 4 4 3 7 11 42 11 4 4 4 2 2 3 2 2 3 2 1 2 3 2 3 4 7 5 4 2 3 3 2 3 4 5 3 3 5 25 3 5 4 6 14 8 7 23 56 6 6 4 3 22 11 10 16 4 17 4 5 4 3 4 2 4 3 6 3 7 10 12 30 33 21 4 4 7 6 2 2 5 4 1 3 4 3 8 8 15 10 9 15 8 4 1 3 3 4 2 2 4 7 3 12 4 2 2 3 3 2 4 9 5 24 6 3 3 1 1 3 4 1 1 3 2 0 8 9 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 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 2 2 2 1 2 4 3 2 2 2 2 3 3 2 3 5 7 18 14 11 15 19 11 26 13 14 5 3 3 2 2 2 100 73 19 7 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 m 0H | 73 73 s 4H | 73 73 s 1H | 55 55 s 1H | 51 51 s 2H | 44 43 m 2H | 42 41 ddd 1H J 18 61 119 | 38 37 ddddd 1H J 14 40 47 73 97 | 30 30 d 3H J 15 | 26 25 ddd 1H J 53 85 134 | 24 23 m 1H | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1Sc1c(C#N)cc(O)c(O)c1C#N
ir: 6 4 2 3 2 3 10 4 4 8 5 10 11 14 7 7 4 6 12 37 5 3 6 3 3 2 2 2 3 7 3 2 2 2 2 2 3 3 3 2 4 8 32 19 5 2 10 2 2 1 2 2 2 1 2 2 2 1 3 2 2 2 2 2 2 2 2 7 8 2 9 14 3 2 2 6 2 3 5 5 2 2 7 29 9 4 11 12 14 2 3 2 1 1 2 2 2 3 11 5 6 4 3 3 3 26 4 3 6 3 2 3 4 3 4 4 3 4 3 4 3 3 2 2 6 2 2 2 2 2 2 2 2 3 2 11 22 8 3 3 2 2 3 3 3 3 6 5 3 6 3 2 2 2 2 2 2 3 14 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 7 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 5 4 13 38 15 6 2 0 3 7 60 83 100 1 3 4 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 79 dd 1H J 14 74 | 79 79 s 1H | 76 75 m 2H | 74 73 ddd 1H J 23 68 75 | 72 71 s 1H | 67 67 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccnc1Nc1cc(OC)ccc1F
ir: 4 3 3 2 2 3 1 2 2 1 1 0 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 4 3 6 5 3 1 2 3 6 5 6 6 14 26 100 63 20 14 9 4 3 2 1 2 4 10 1 1 1 2 2 11 6 3 1 2 3 6 6 3 2 1 2 1 1 3 1 1 1 9 10 1 1 1 1 1 1 3 2 1 1 0 0 0 0 1 2 2 1 1 1 1 4 9 1 1 0 1 2 1 1 0 1 0 1 2 2 1 2 1 1 2 1 1 2 1 1 2 1 1 3 1 1 1 1 14 18 6 17 19 3 1 1 1 15 19 2 1 1 21 2 0 1 1 3 1 1 4 26 14 8 4 1 8 25 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 2 1 1 5 15 13 10 4 0 1 1 0 0 1 1 1 0 1 1 0 0 1 3 2 1 2 4 6 11 34 20 4 2 2 2 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 35 | 84 84 dd 1H J 20 46 | 81 81 dd 1H J 20 81 | 71 70 m 1H | 70 70 dd 1H J 46 79 | 67 67 m 2H | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)cc(NN=Cc2cccc3ccccc23)[nH]c1=O
ir: 6 9 4 6 7 3 1 4 6 9 4 6 8 6 4 6 11 3 1 4 4 2 2 4 7 7 13 12 13 3 2 4 3 2 2 4 3 1 2 4 3 1 3 6 7 9 13 14 26 28 90 57 16 2 4 5 2 0 2 5 3 11 5 4 3 2 8 20 8 2 5 8 10 2 3 5 2 1 4 3 3 2 4 4 1 4 5 3 2 2 4 3 2 4 5 5 4 5 8 4 1 3 4 5 13 19 9 10 13 13 6 9 2 5 9 8 7 6 5 4 3 7 6 6 9 5 5 2 3 5 6 6 5 4 4 2 4 11 10 5 2 3 3 1 2 11 15 7 5 6 6 6 6 4 3 2 2 6 9 8 61 44 7 8 7 100 21 3 3 4 2 0 2 4 2 0 2 3 2 0 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 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 1 3 4 4 6 8 35 38 11 8 4 3 2 3 3 2 2 3 4 2 2 2 3 3 2 3 4 6 6 14 28 41 36 11 10 3 2 4 6 1 2 4 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 3 2 0 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 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 83 s 1H | 83 83 m 1H | 80 79 m 1H | 79 79 ddt 1H J 21 41 58 | 77 77 m 1H | 76 75 t 1H J 73 | 75 75 m 2H | 72 72 s 1H | 57 56 s 1H | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCCCN(C)c1ccccc1)NCc1ccccc1
ir: 1 1 1 2 6 2 2 2 2 2 2 3 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 2 4 5 11 5 2 3 3 3 7 3 12 35 27 76 34 9 5 4 2 2 1 1 2 1 1 3 2 2 11 8 6 3 3 3 3 3 3 3 4 15 9 8 2 2 2 4 3 3 8 6 6 4 5 4 2 2 1 1 2 6 8 18 2 1 1 1 5 3 3 14 7 3 4 3 4 2 2 4 12 19 13 11 8 6 5 4 12 10 8 6 6 6 3 3 12 5 3 3 3 6 6 5 9 6 11 13 15 21 6 13 2 6 4 4 8 6 8 4 8 4 2 2 1 3 8 4 2 1 1 0 1 1 3 9 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 1 2 2 1 6 5 14 6 31 59 27 19 3 5 3 2 2 3 2 3 2 2 1 1 2 4 3 3 45 100 24 9 4 1 2 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 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1; 1HNMR: 74 73 m 2H | 73 72 m 1H | 73 72 m 4H | 68 68 tt 1H J 13 77 | 68 67 m 2H | 39 39 ddt 1H J 9 57 139 | 38 37 ddt 1H J 9 57 139 | 32 31 t 2H J 58 | 29 28 m 3H | 24 23 dt 1H J 58 71 | 17 15 m 3H | 15 12 m 3H | 11 11 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(C)CC(CO)C1
ir: 5 5 8 9 6 5 5 7 5 7 7 4 4 14 11 21 4 6 10 6 6 5 5 3 2 3 4 2 2 7 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 6 7 4 3 4 3 3 4 5 4 4 4 5 2 5 4 4 4 4 4 14 6 8 5 5 5 7 7 7 6 3 4 8 9 4 5 47 37 13 81 100 11 66 31 10 15 13 10 8 5 11 9 10 4 11 18 35 16 16 6 0 4 5 4 2 9 18 7 8 7 4 12 3 4 5 2 0 3 4 3 1 7 14 13 3 4 4 2 3 5 5 5 4 6 8 4 4 7 6 16 10 12 11 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 2 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 3 6 5 3 5 5 6 3 5 11 7 3 5 6 8 22 21 14 12 4 3 8 6 3 6 18 72 73 43 13 6 7 5 5 3 3 4 5 2 2 3 4 2 2 4 3 2 3 3 3 3 2 4 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 42 41 q 2H J 61 | 36 35 t 2H J 42 | 30 29 t 1H J 44 | 22 21 dd 2H J 59 120 | 20 19 m 1H | 19 18 dd 2H J 59 120 | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2ccc[n+]([O-])c2c1
ir: 6 9 5 12 3 4 4 30 58 10 2 11 20 7 1 3 8 4 3 5 7 3 0 23 81 26 3 12 49 49 9 2 2 2 2 4 2 2 2 3 6 6 2 3 2 1 2 2 2 1 2 3 4 29 20 5 5 2 3 12 47 35 4 3 1 1 2 3 5 10 3 4 2 1 2 5 3 1 3 4 3 2 3 28 12 1 2 2 1 1 2 3 2 3 6 19 1 2 3 2 2 2 3 4 2 2 9 27 1 3 6 4 0 5 12 37 25 18 17 13 4 4 3 7 4 5 36 48 17 5 4 3 4 6 3 1 1 5 24 30 13 1 15 11 10 29 98 16 16 7 4 1 3 4 4 8 16 41 29 2 18 14 3 1 1 4 9 7 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 2 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 1 1 2 2 1 1 3 2 1 2 3 2 1 2 6 3 5 5 8 15 63 81 100 36 14 7 7 2 1 3 4 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 46 46 d 1H J 18 | 42 42 dd 1H J 16 59 | 38 38 s 3H | 33 33 m 1H | 33 33 t 1H J 61 | 33 32 dt 1H J 15 61 | 31 31 dd 1H J 15 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cc(Br)no1
ir: 2 2 3 2 2 2 5 4 4 2 1 2 2 1 1 4 11 1 1 2 11 2 2 2 2 1 2 2 3 2 2 2 4 3 2 2 2 1 2 15 1 4 2 0 17 100 11 5 13 0 1 3 2 1 3 7 5 0 3 3 5 20 6 13 72 1 6 4 6 15 7 3 22 11 43 11 10 4 4 3 2 1 2 2 2 2 3 3 3 3 8 24 7 3 4 4 7 33 3 3 3 3 2 3 7 3 2 3 2 2 2 3 6 5 4 6 9 11 56 20 51 49 24 18 15 13 15 47 15 13 6 4 2 3 3 2 2 2 3 3 2 3 3 1 3 88 3 2 2 9 36 20 8 6 2 1 1 2 2 2 1 2 3 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 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 2 2 2 2 3 3 4 4 8 15 7 2 3 3 8 7 6 18 11 8 18 22 38 49 37 55 50 100 12 6 8 6 3 3 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 71 71 s 1H | 36 36 s 3H | 30 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)Nc2ccc(O)cc21
ir: 1 5 8 4 2 9 8 11 75 47 100 8 3 7 10 4 3 9 11 5 3 6 7 3 1 7 6 3 10 13 7 13 14 37 9 1 5 11 6 2 4 7 5 0 3 7 5 0 4 8 5 0 4 13 13 28 5 11 5 0 15 21 4 1 5 7 4 15 12 31 3 1 5 7 3 7 13 6 4 27 21 33 8 6 6 8 3 3 25 30 7 9 31 32 5 7 7 6 1 3 7 5 13 19 16 6 4 5 8 4 1 4 8 4 2 8 10 7 10 14 8 6 3 18 30 4 1 7 8 6 2 21 25 16 0 6 7 2 1 6 7 5 4 7 6 2 2 6 7 3 4 8 13 9 9 17 60 23 3 8 5 16 12 8 5 1 3 8 4 0 4 8 4 0 4 7 4 0 4 7 3 1 5 7 3 1 5 6 3 1 5 6 2 2 5 6 2 2 5 6 2 2 6 5 2 2 6 5 1 3 6 5 1 3 6 5 1 3 7 4 1 3 7 4 0 4 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 3 2 6 6 3 3 6 5 4 6 6 6 2 3 7 7 3 3 7 5 2 3 7 4 1 4 9 6 5 14 17 19 53 32 6 5 3 7 5 49 62 33 4 3 6 8 6 3 3 5 5 3 31 30 48 4 31 19 8 3 4 6 7 3 3 6 6 2 3 6 7 4 5 6 4 2 3 7 5 1 3 6 4 1 4 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6; 1HNMR: 92 91 s 1H | 73 72 d 1H J 83 | 71 70 s 1H | 70 70 d 1H J 22 | 68 67 dd 1H J 21 81 | 15 15 s 6H
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(NS(=O)(=O)c2ccc(C#N)c3ccccc23)CC1
ir: 9 5 6 7 4 6 11 5 4 10 18 13 12 4 5 12 6 2 2 3 4 2 1 2 4 8 2 1 2 2 2 1 2 2 2 3 4 6 4 5 3 7 11 6 29 10 5 5 3 2 3 3 9 10 5 10 24 2 7 6 4 6 16 6 6 7 4 4 20 7 16 3 3 7 16 7 7 6 5 2 3 4 3 34 15 5 10 13 9 3 3 2 1 2 3 3 3 3 2 10 2 8 7 32 22 25 14 10 23 21 11 11 6 7 6 10 5 17 27 24 11 10 13 14 2 3 3 8 4 8 5 8 9 11 11 6 6 9 8 3 3 3 2 1 2 3 2 2 13 10 16 100 6 3 1 2 2 5 4 5 1 2 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 3 2 3 2 2 3 3 2 2 2 3 3 5 3 12 26 21 20 28 16 5 9 7 5 4 2 2 2 2 2 1 2 2 1 0 3 5 3 5 64 94 11 9 1 0 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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: 86 85 m 1H | 82 82 dd 1H J 13 74 | 81 81 d 1H J 90 | 80 79 d 1H J 91 | 77 76 dtd 2H J 14 77 258 | 58 57 d 1H J 97 | 37 36 ddd 2H J 60 87 130 | 34 33 m 3H | 21 20 m 2H | 19 18 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)cc1C1(C)CCCCC1
ir: 2 2 1 1 2 1 1 2 3 3 7 3 4 2 6 9 4 2 3 5 7 23 86 16 2 2 2 1 2 4 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 5 6 3 4 3 1 1 2 2 4 3 4 2 2 5 2 6 4 1 1 1 1 1 2 5 21 15 46 10 6 9 2 1 1 1 2 5 3 2 2 2 1 1 1 3 1 1 1 2 1 1 1 1 0 1 2 2 2 3 3 3 3 1 2 11 10 6 3 2 3 3 2 2 1 4 3 3 1 1 2 2 3 2 3 2 2 2 1 1 2 3 81 40 5 3 2 1 1 2 1 1 3 12 7 1 1 4 5 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 3 6 9 4 8 33 22 1 1 1 1 1 1 2 66 100 25 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 81 80 d 1H J 22 | 78 78 dd 1H J 22 75 | 69 68 d 1H J 76 | 38 38 s 3H | 21 20 m 2H | 18 17 m 2H | 17 16 dtdd 2H J 48 57 75 123 | 16 14 m 4H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nncn1S(=O)(=O)N(C)C
ir: 19 10 2 14 26 18 13 25 28 27 19 11 16 10 7 19 71 27 49 14 14 5 4 10 12 4 15 13 14 4 4 12 10 13 25 31 29 3 7 11 13 3 5 13 10 3 8 15 8 2 6 12 7 1 6 13 6 0 10 18 9 12 22 13 11 23 28 45 18 12 18 27 10 3 16 16 7 5 11 11 4 3 10 11 5 6 19 42 23 100 51 78 45 56 26 17 20 60 68 11 2 6 13 8 1 6 13 7 1 8 13 14 13 15 20 15 20 24 16 16 8 11 14 8 6 25 25 8 2 8 12 7 4 13 16 27 5 18 18 27 12 13 11 5 3 10 9 3 8 11 9 3 14 22 12 4 5 10 8 2 5 11 7 1 5 11 7 1 6 12 6 1 6 12 6 1 7 11 6 1 7 11 5 2 7 10 5 2 8 10 4 3 8 10 4 3 9 9 4 3 9 9 3 4 9 8 3 4 10 8 3 5 10 8 2 5 10 7 2 5 11 7 2 6 11 6 1 6 11 6 1 7 11 6 2 7 11 5 2 7 10 5 2 8 10 5 3 8 10 4 3 8 9 4 4 9 9 4 4 9 8 3 4 9 8 3 5 10 8 4 9 11 8 3 6 11 8 3 7 13 8 2 8 21 11 10 7 11 8 5 8 10 6 2 7 11 6 3 7 10 5 3 8 9 5 3 8 9 4 4 8 9 4 4 8 8 4 4 9 8 4 5 9 8 3 5 9 7 3 5 10 7 3 6 10 7 2 6 10 6 2 6 10 6 2 6 10 6 3 7 10 6 3 7 9 5 3 7 9 5 3 8 9 5 4 8 9 4 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 5 9 7 3 6 10 7 3 6 10 6 3; 1HNMR: 83 83 s 1H | 31 30 q 2H J 73 | 29 28 s 5H | 14 13 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCN(COC)c1ccn2nc(-c3ccccc3)c(-c3ccc(=O)n(C(C)C)n3)c2c1
ir: 5 6 8 6 13 10 24 12 8 6 7 8 9 10 10 8 5 6 7 7 4 7 11 16 16 8 5 9 11 12 21 34 12 7 6 14 19 8 9 35 13 5 8 14 39 9 8 9 12 8 6 5 9 12 23 30 11 0 92 2 8 14 6 3 7 9 12 6 17 11 17 56 20 25 45 53 10 17 36 10 6 6 6 6 8 7 7 9 22 24 13 8 10 7 6 8 10 14 11 9 8 7 7 6 7 7 6 7 6 5 5 6 6 14 23 19 7 8 13 10 10 9 7 7 7 7 6 9 6 55 17 10 12 9 20 8 59 11 7 12 44 10 7 7 6 13 35 16 22 14 36 17 12 30 43 21 48 12 9 4 5 9 6 6 6 11 55 19 7 4 6 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 5 6 6 5 5 5 6 6 5 6 7 5 7 9 8 9 22 15 24 95 29 59 38 100 46 10 9 7 8 5 6 5 5 5 5 5 5 4 5 5 4 5 5 5 4 5 5 5 4 4 5 5 4 5 5 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5; 1HNMR: 86 85 d 1H J 63 | 77 77 m 2H | 77 76 d 1H J 95 | 75 75 m 2H | 74 74 ddt 1H J 15 70 88 | 70 70 d 1H J 13 | 69 69 dd 1H J 13 64 | 68 68 d 1H J 95 | 46 46 s 3H | 45 44 p 1H J 68 | 33 33 s 5H | 14 14 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)c(F)cc2c1=O
ir: 1 2 3 2 2 4 3 2 3 4 3 5 5 4 11 9 8 15 12 6 21 100 31 15 11 9 2 3 2 2 2 2 1 1 1 1 4 4 7 11 12 2 1 3 2 9 7 8 49 92 10 2 6 4 3 5 8 5 2 1 2 3 8 4 2 2 5 8 24 8 5 2 3 7 2 9 46 24 5 3 3 5 11 3 2 2 7 6 18 9 7 6 9 6 5 5 10 5 12 7 10 4 4 14 3 3 3 1 1 1 1 1 2 1 3 1 1 3 2 2 2 2 4 6 12 31 4 1 3 3 2 2 3 2 7 10 2 4 1 9 1 1 1 2 2 5 12 7 8 37 4 5 10 23 50 27 10 4 3 4 65 4 14 15 4 19 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 0 1 1 2 13 7 8 7 7 11 61 30 10 14 9 3 3 1 2 4 17 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 51 | 87 87 d 1H J 18 | 82 82 d 1H J 20 | 82 81 d 1H J 89 | 80 79 d 1H J 121 | 76 76 d 1H J 41 | 76 75 dd 1H J 22 90 | 72 71 d 1H J 51 | 39 38 pd 1H J 18 63 | 34 33 m 9H | 14 14 m 2H | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cc(Cl)c(Oc2ccc(N)c(N)c2)c(Cl)c1C
ir: 8 5 10 48 32 26 8 3 5 13 13 39 40 24 10 7 8 11 10 4 4 5 6 4 2 2 4 3 3 5 4 2 3 4 4 4 3 2 2 4 2 2 4 1 1 2 2 2 3 2 1 0 2 3 8 9 5 6 2 1 3 2 1 1 1 6 15 40 9 6 3 1 3 6 13 1 2 1 2 1 5 12 7 2 1 1 1 1 5 6 0 1 2 2 1 20 4 1 1 2 4 3 3 4 2 3 0 2 1 1 2 1 3 2 0 1 2 2 4 4 4 2 1 9 18 7 2 2 2 1 1 1 2 1 0 1 1 8 2 2 2 1 1 2 13 6 1 4 7 19 31 4 6 39 38 7 8 23 65 6 5 4 2 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 2 1 1 1 0 2 2 1 1 2 1 1 2 3 3 2 1 3 3 6 10 3 4 18 45 10 2 3 3 3 1 1 1 1 1 1 2 2 2 1 1 32 64 49 3 2 1 1 2 3 2 5 12 99 95 100 2 2 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 70 70 s 1H | 69 68 d 1H J 84 | 62 62 dd 1H J 21 83 | 61 61 d 1H J 22 | 41 41 s 2H | 40 40 s 2H | 27 27 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.
Cc1c2c(=O)n(CCCNC(=O)OC(C)(C)C)c3ccc(N)cc3c2nn1C1CCCCO1
ir: 34 21 14 6 5 12 12 15 12 16 9 2 13 1 4 3 1 1 1 3 1 2 1 7 2 4 21 8 20 8 4 3 3 1 3 1 3 2 1 1 1 2 2 1 4 2 4 3 4 9 11 8 6 7 12 43 7 4 3 2 1 2 2 3 2 0 2 4 4 3 2 5 1 1 1 1 1 1 9 4 37 4 1 2 0 1 2 8 3 1 1 1 2 2 1 1 1 1 3 2 1 1 1 2 1 1 3 5 12 13 10 5 3 2 3 3 3 4 9 6 7 8 15 8 4 3 3 4 4 5 2 2 2 2 2 1 2 2 3 2 1 7 18 36 23 27 14 7 4 45 9 4 3 7 4 8 36 64 41 10 3 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 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 2 1 2 3 3 2 1 3 3 3 5 10 18 3 5 16 7 5 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 12 17 4 3 6 16 19 18 9 8 4 0 59 100 5 1 1 0 1 1 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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; 1HNMR: 75 74 m 2H | 70 69 dd 1H J 21 85 | 59 59 t 1H J 23 | 53 52 t 1H J 53 | 50 49 s 2H | 43 42 t 2H J 59 | 39 38 ddd 1H J 33 49 104 | 38 37 ddd 1H J 32 49 104 | 33 32 q 2H J 57 | 26 26 s 3H | 24 23 dddd 1H J 22 54 79 145 | 21 19 m 5H | 18 17 m 1H | 17 16 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(Cc2cccnc2)[C@@H](C)CN1c1ccc2nnc(C(F)(F)F)n2n1
ir: 2 8 16 18 6 6 8 7 8 9 6 6 7 12 18 8 3 27 16 2 1 8 7 9 47 11 15 16 19 5 9 10 15 70 12 7 4 5 9 7 7 9 6 4 5 9 4 29 5 5 4 7 6 11 21 15 16 14 50 49 10 44 7 34 12 5 5 10 2 36 10 7 9 19 10 21 17 15 9 18 32 9 6 16 11 9 4 20 11 14 22 27 21 8 11 11 74 34 50 18 24 15 1 5 18 11 0 13 18 8 1 15 69 13 4 8 9 5 13 11 18 20 26 66 30 30 11 5 9 7 3 8 8 24 8 5 11 5 10 82 8 9 7 3 11 42 100 8 5 7 57 25 93 28 29 5 5 5 5 19 10 11 16 14 4 1 3 6 3 1 3 5 3 1 3 5 3 1 3 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 2 2 4 4 2 2 4 4 2 3 5 4 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 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 4 2 3 4 7 3 3 5 5 5 4 6 5 3 8 12 10 9 26 51 18 29 59 33 40 5 6 9 6 5 4 4 4 2 3 4 4 2 3 3 3 3 3 4 2 2 3 3 2 2 4 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 87 86 dq 1H J 10 21 | 85 85 ddd 1H J 13 20 42 | 78 78 d 1H J 92 | 77 77 dddd 1H J 9 20 29 81 | 73 72 m 2H | 42 41 qdd 1H J 22 49 71 | 39 39 dt 1H J 8 138 | 38 38 dd 1H J 23 94 | 37 37 dt 1H J 8 138 | 36 36 dd 1H J 50 94 | 31 30 m 2H | 28 27 dd 1H J 50 105 | 13 13 d 3H J 71 | 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.
COc1ncc(Cc2cnc(C#N)nc2)cc1-c1cccc(Cl)c1
ir: 3 2 0 2 4 2 2 3 3 4 1 3 4 2 4 8 4 2 1 2 5 2 2 3 3 4 24 4 5 3 6 10 11 2 4 3 8 13 25 6 15 14 4 5 2 1 17 68 7 4 3 2 2 1 2 3 3 3 4 4 2 1 2 5 4 3 12 16 4 2 3 2 1 1 2 3 2 3 3 4 1 1 2 2 1 1 3 20 4 2 3 3 2 1 3 5 7 3 3 3 5 4 3 2 1 1 2 1 1 1 2 2 1 5 13 3 3 3 6 5 100 29 31 6 4 4 5 2 2 3 4 2 2 13 4 2 2 2 3 14 9 2 56 1 0 24 5 0 1 3 5 7 15 6 28 11 2 7 7 34 2 3 7 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 5 3 5 3 24 18 4 3 4 2 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 83 83 t 2H J 9 | 79 79 dt 1H J 8 16 | 76 76 dt 1H J 9 18 | 75 75 m 2H | 74 74 t 1H J 78 | 74 73 ddd 1H J 13 20 79 | 41 40 s 3H | 39 39 p 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ncc(C=O)s2)c1
ir: 6 3 2 2 3 3 2 4 5 4 3 7 3 5 3 3 2 5 4 3 2 4 4 3 2 3 3 4 4 4 9 8 7 16 14 5 8 6 5 4 9 21 12 5 3 4 3 3 15 3 6 3 4 3 3 3 4 6 6 4 2 2 3 4 3 3 10 40 32 16 6 0 3 3 2 1 2 8 3 2 4 5 4 1 3 2 7 2 9 8 8 4 4 8 2 3 4 4 5 3 8 14 33 19 5 6 3 5 9 4 3 5 3 3 1 3 2 6 19 6 4 3 3 2 2 2 4 4 10 9 12 4 3 1 2 12 3 6 11 24 3 1 14 16 5 8 5 16 44 7 6 13 18 10 2 2 2 1 2 3 5 5 1 2 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 5 2 2 2 2 2 2 2 2 1 3 3 3 18 28 17 23 100 31 18 9 2 2 3 2 1 2 2 1 1 1 1 1 1 1 2 1 1 2 9 24 17 37 7 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 81 81 s 1H | 74 73 m 2H | 73 72 t 1H J 22 | 71 71 m 2H | 70 70 m 2H | 66 65 t 1H J 23 | 47 46 p 1H J 57 | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CBr)cc1OC(F)(F)F
ir: 2 3 4 4 1 6 2 2 2 1 5 2 0 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 4 7 4 2 2 6 3 5 3 1 0 1 1 0 0 1 1 0 1 5 10 7 1 1 1 1 1 2 10 6 3 3 3 4 17 5 1 0 1 1 1 0 1 2 1 0 1 1 0 1 1 2 18 5 3 3 1 1 2 2 1 3 18 28 34 57 45 100 62 14 8 9 6 5 6 4 1 1 1 0 0 0 1 1 0 1 1 1 0 1 2 2 5 7 3 1 0 1 1 0 0 1 1 0 0 1 1 1 1 6 1 0 1 1 1 10 13 6 5 6 2 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 2 1 1 1 1 1 1 2 3 15 14 8 26 32 17 5 1 1 3 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 1H J 8 17 | 70 69 ddt 1H J 9 16 81 | 69 68 d 1H J 81 | 45 44 d 2H 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.
Cc1ccc2c(c1)c1c(n2CC(CC(=O)O)c2ccc(F)cc2)CCN(C)C1
ir: 1 1 2 12 5 3 2 1 3 4 1 8 12 6 3 1 7 6 4 4 9 100 9 7 10 6 2 2 2 1 1 1 0 1 4 2 1 1 1 3 2 3 0 1 1 1 0 0 2 3 1 2 2 22 19 20 2 2 1 2 2 1 0 4 1 5 1 2 1 5 2 11 2 2 2 4 2 4 31 16 8 4 2 1 6 1 3 9 3 1 1 1 1 1 2 7 7 8 6 3 2 3 1 1 2 1 1 4 9 4 0 1 3 5 2 4 2 1 2 4 1 4 1 2 2 5 1 2 2 1 4 3 2 3 3 1 1 1 1 2 2 1 2 35 3 1 2 12 8 4 1 0 15 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 2 2 2 2 3 2 4 7 8 15 68 19 4 1 4 2 3 1 1 16 18 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; 1HNMR: 72 72 m 3H | 71 70 m 1H | 70 70 m 3H | 44 43 dd 1H J 56 144 | 41 40 dd 1H J 57 143 | 39 38 m 2H | 37 36 tt 1H J 56 83 | 31 30 m 2H | 29 29 dd 1H J 82 161 | 28 27 dd 2H J 43 52 | 27 26 dd 1H J 82 162 | 25 24 d 3H J 8 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2C)sc2c1CCCC2
ir: 27 12 3 10 18 17 24 21 17 36 49 24 20 15 12 20 21 11 4 9 11 9 5 17 8 7 7 10 11 5 8 9 18 25 17 17 15 8 13 49 19 17 62 37 19 8 16 36 23 17 23 27 15 18 14 19 18 19 16 26 21 5 8 22 30 8 9 11 9 12 8 11 5 8 11 18 13 4 7 9 13 41 10 32 42 49 100 53 16 11 60 22 3 4 8 7 5 8 9 12 27 7 7 9 11 8 70 20 0 7 15 19 11 27 31 64 82 40 21 20 9 10 12 23 9 8 9 6 7 7 54 18 3 7 9 8 75 30 9 13 24 27 10 5 5 8 8 8 13 22 9 5 6 7 6 28 78 15 16 0 4 10 6 1 5 10 5 1 5 10 5 1 5 9 5 1 5 9 4 1 6 8 4 2 6 8 4 2 6 8 4 2 6 7 3 3 7 7 3 3 7 7 3 3 7 7 3 4 7 6 3 4 8 6 2 4 8 6 2 4 8 6 2 5 8 5 2 5 8 5 2 5 9 5 2 6 8 5 2 6 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 7 7 4 3 7 7 3 4 7 7 3 5 8 7 4 8 12 8 5 7 11 10 5 6 9 7 5 9 23 28 7 33 54 21 9 12 9 5 4 6 8 5 3 6 8 5 3 7 8 5 4 7 8 6 5 7 10 5 29 59 64 29 10 9 8 3 4 8 7 3 4 7 6 3 4 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 3 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 4 6 6 4 4 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 5 7 5 3 5 7 5 2; 1HNMR: 95 94 s 1H | 78 78 dd 1H J 15 85 | 75 75 td 1H J 15 76 | 75 74 ddd 1H J 12 74 88 | 74 73 ddt 1H J 8 18 84 | 44 43 q 2H J 64 | 29 28 m 2H | 28 27 m 2H | 26 26 d 3H J 7 | 18 17 m 4H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1csc(-c2ccc(-c3ccc(CO)s3)s2)c1
ir: 5 2 2 2 1 1 1 2 2 4 4 3 1 1 1 1 1 1 2 2 2 1 2 1 1 1 0 1 2 1 1 2 2 1 1 1 1 2 2 3 3 2 2 2 1 1 2 2 4 3 4 2 2 1 1 2 2 2 2 9 2 0 2 3 3 1 0 1 0 1 1 8 1 1 0 2 1 1 3 2 3 4 3 13 4 7 18 18 7 17 19 10 6 8 9 2 1 2 3 0 0 0 1 1 1 2 3 1 1 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 0 1 1 1 3 4 7 4 2 1 3 2 4 5 5 45 100 15 2 8 4 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 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 0; 1HNMR: 72 72 dt 1H J 8 18 | 71 71 d 1H J 64 | 71 70 m 2H | 70 70 d 1H J 75 | 68 68 dt 1H J 9 17 | 47 47 dd 2H J 9 53 | 46 46 dt 2H J 10 51 | 35 34 t 1H J 50 | 30 30 t 1H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(OC(C)=O)ccc(Br)c1C
ir: 30 10 5 11 14 10 25 14 24 6 6 7 6 5 11 9 6 4 2 9 4 7 20 44 61 35 46 26 17 7 7 9 8 7 5 8 4 2 3 6 3 2 1 1 1 2 6 10 13 7 3 0 2 18 100 21 3 7 6 7 6 4 8 2 4 3 3 17 9 16 12 14 7 7 24 24 11 4 8 3 2 3 4 23 6 2 2 4 1 9 2 1 1 1 4 9 13 16 13 69 6 5 13 4 3 3 3 4 5 16 40 44 16 9 9 4 3 10 19 9 2 7 8 30 38 31 9 13 17 6 8 4 7 11 27 17 6 10 10 13 27 11 16 23 89 32 14 24 17 21 4 16 65 56 12 3 3 2 12 87 10 2 2 2 2 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 3 3 3 18 8 4 4 3 3 5 13 5 10 9 10 10 22 26 8 25 76 54 9 13 9 8 7 5 2 2 0 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 d 1H J 92 | 71 70 d 1H J 92 | 39 39 s 3H | 25 24 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.
CNC(=O)Cn1ncc2nccc(Nc3cc(-c4nc(C)ccc4F)ncc3C)c21
ir: 1 1 1 2 2 9 5 2 9 23 21 8 11 8 13 3 5 3 3 5 10 10 8 7 6 7 30 4 7 23 23 18 8 9 19 20 47 31 16 17 11 24 22 4 4 7 9 10 3 3 4 6 32 21 9 3 8 4 2 1 4 2 1 2 3 8 7 6 10 24 9 14 12 7 28 5 5 3 3 1 1 2 1 1 2 2 3 21 3 3 1 1 3 6 3 32 12 2 3 2 2 6 1 1 3 1 0 1 2 3 5 27 24 9 14 15 4 5 3 2 8 6 22 22 8 4 3 1 4 3 11 3 3 1 1 7 41 8 13 3 3 3 9 4 65 59 58 15 12 5 72 3 4 7 3 2 3 50 5 3 23 29 5 15 100 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 1 2 1 3 2 2 2 3 4 5 2 3 14 1 9 92 75 11 6 2 2 1 1 1 1 2 2 2 1 1 2 2 3 2 5 7 7 6 36 12 58 62 9 10 5 4 1 1 5 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 37 | 84 83 d 1H J 8 | 82 82 s 1H | 82 81 s 1H | 77 77 d 1H J 20 | 73 73 dd 1H J 86 101 | 72 72 ddq 1H J 8 45 87 | 68 68 d 1H J 37 | 67 66 q 1H J 44 | 51 51 s 2H | 27 27 d 3H J 44 | 26 26 d 3H J 7 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(N)cccc1OC
ir: 28 8 25 19 11 6 7 5 4 5 5 8 6 6 5 3 1 4 3 3 4 4 7 4 3 3 2 3 3 3 4 4 1 3 2 3 2 3 2 1 2 2 2 0 2 9 10 37 33 0 4 2 2 2 2 2 2 2 3 1 2 2 1 1 1 1 1 2 2 4 3 1 2 1 4 3 2 2 2 2 3 5 5 10 7 1 1 1 1 1 1 2 3 1 2 3 3 1 0 0 1 1 0 0 1 1 0 1 1 1 2 3 9 3 5 2 1 1 1 2 1 1 1 1 2 3 2 1 2 1 1 1 1 1 0 1 1 1 0 4 5 2 1 1 2 0 2 3 2 1 2 3 11 26 28 18 3 17 24 57 62 17 3 2 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 0 1 3 1 1 1 1 1 1 1 2 1 0 1 2 4 3 8 8 7 6 23 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 2 51 45 13 1 1 1 1 1 1 1 2 16 100 49 18 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 2 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 71 70 t 1H J 81 | 65 64 dd 1H J 11 84 | 64 64 dd 1H J 11 79 | 44 44 s 2H | 38 38 s 3H | 27 26 q 2H J 78 | 13 12 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CCC(=O)O1
ir: 2 3 2 5 7 2 10 7 9 6 6 8 13 13 6 5 3 4 6 4 3 6 5 6 1 3 4 2 1 3 2 1 2 1 2 2 3 2 3 6 6 8 7 5 7 2 4 5 5 11 12 30 10 7 4 3 3 2 5 4 6 5 7 3 2 4 4 2 3 2 3 8 26 11 15 15 9 5 3 2 2 1 2 2 2 2 4 4 1 3 3 3 1 3 4 5 0 42 38 22 8 7 4 6 16 33 23 13 8 14 24 21 15 27 28 16 16 33 39 23 18 13 11 12 11 9 9 8 6 9 6 9 4 4 2 5 7 3 2 2 3 1 2 12 49 100 12 3 4 3 5 2 2 4 4 2 2 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 3 2 2 3 3 4 4 5 9 17 8 15 16 5 5 9 4 6 74 27 29 9 5 4 3 2 0 2 3 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 47 46 ddd 1H J 40 48 90 | 26 25 ddd 1H J 60 79 123 | 25 24 ddd 1H J 60 79 123 | 23 22 dddd 1H J 41 59 79 138 | 20 19 dddd 1H J 41 60 79 137 | 17 16 m 1H | 15 14 m 2H | 14 13 m 3H | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2ncc(Cc3ccc4nc(N[C@@H]5CCCC[C@H]5O)sc4c3)n2n1
ir: 4 6 21 23 29 10 3 4 6 25 9 9 9 9 7 22 11 35 42 19 35 25 16 12 15 5 5 3 3 5 5 3 8 7 3 6 4 19 11 4 2 3 3 3 3 8 3 1 2 7 2 1 3 3 16 22 15 15 13 76 39 9 2 1 1 3 10 9 9 13 13 11 15 4 4 1 3 2 3 2 5 27 5 2 2 8 9 13 54 67 24 34 19 13 7 6 8 10 2 2 2 1 3 3 6 4 23 24 10 10 10 3 9 4 6 7 29 8 6 10 24 29 16 16 11 11 6 6 1 3 2 1 2 9 4 2 3 2 10 18 17 22 35 33 52 70 70 13 5 30 45 6 5 3 4 7 1 2 2 42 3 3 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 4 1 3 3 3 1 2 4 7 4 19 7 10 26 32 11 20 18 11 8 5 32 19 3 1 2 1 1 1 1 1 3 3 1 11 12 18 28 33 100 42 14 9 3 3 2 1 0 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 75 | 76 76 d 1H J 74 | 75 74 m 2H | 72 72 ddt 1H J 9 20 74 | 68 68 t 1H J 9 | 59 58 d 1H J 74 | 41 40 q 2H J 8 | 39 38 dddd 1H J 29 57 64 73 | 38 37 tdd 1H J 31 53 63 | 34 33 d 1H J 54 | 20 19 m 1H | 19 18 dddd 1H J 32 65 96 139 | 18 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2cnn3ccnc3c2)c1
ir: 24 8 6 5 3 11 5 2 3 5 7 15 7 2 1 2 3 2 1 2 3 7 4 3 4 5 1 1 1 2 5 8 95 6 1 3 5 4 1 2 2 1 1 2 2 0 4 93 48 9 3 0 1 2 1 1 1 2 2 1 1 1 6 1 3 1 3 2 7 5 2 2 2 4 23 7 4 4 3 2 2 4 2 2 2 3 1 1 1 1 1 1 2 3 15 45 44 5 8 1 1 1 1 1 1 1 0 1 4 1 3 15 3 2 0 29 5 4 17 38 7 7 8 12 15 7 11 5 3 4 4 3 1 1 1 1 1 2 1 1 5 5 1 3 12 47 36 9 2 3 4 9 7 17 7 5 4 1 1 2 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 3 8 9 15 100 13 19 54 23 14 4 3 4 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 95 95 d 1H J 13 | 82 82 t 1H J 21 | 80 80 dt 1H J 18 73 | 80 79 d 1H J 13 | 78 78 d 1H J 42 | 76 75 m 2H | 72 72 d 1H J 44 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CN2CCN(CC3CO3)CC2)cc1
ir: 7 6 2 2 2 2 14 4 5 8 12 5 1 2 2 1 1 0 0 1 1 0 1 2 1 0 2 4 25 7 8 12 6 7 4 8 11 7 29 100 9 4 8 6 8 7 2 4 13 0 3 3 2 1 2 12 3 1 2 3 1 0 4 12 9 8 24 8 8 1 1 4 6 1 3 7 6 21 16 7 57 8 13 14 11 5 3 3 3 15 4 3 2 2 2 2 4 6 12 10 18 15 14 3 2 2 2 1 1 1 1 1 0 1 1 2 1 1 1 2 6 2 1 1 1 2 2 4 2 2 9 9 1 2 9 6 10 3 2 2 1 1 3 29 1 2 2 3 7 1 1 6 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 2 1 2 1 2 4 1 3 4 10 13 14 33 22 5 3 2 1 1 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 37 36 s 2H | 32 31 p 1H J 33 | 30 29 dd 1H J 33 115 | 29 27 m 10H | 25 25 dd 1H J 31 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C=C/c1cccc(-c2cnc(Cl)nc2-n2ccc(C(F)(F)F)n2)c1
ir: 6 2 1 1 2 1 3 2 2 2 1 6 6 7 1 3 5 3 5 10 16 9 54 10 9 15 4 3 2 2 4 3 11 11 2 2 1 3 2 2 8 29 6 7 2 1 9 19 28 4 11 3 1 1 2 3 3 2 2 2 1 0 1 2 1 1 1 2 2 2 2 2 3 3 7 12 11 9 90 43 4 9 18 5 3 2 3 3 3 2 2 3 13 5 5 2 2 3 12 5 4 2 2 1 1 2 4 2 0 2 4 2 5 8 11 18 8 2 2 3 2 3 3 3 2 3 4 9 8 5 4 3 3 2 2 1 1 2 8 13 7 7 22 23 22 3 3 5 4 3 2 3 6 3 3 3 2 2 2 0 7 30 1 2 1 1 1 2 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 4 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 2 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 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 3 5 3 12 8 21 36 5 10 9 7 2 2 2 23 100 34 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H | 79 79 m 2H | 77 77 dt 1H J 19 70 | 76 75 m 3H | 71 70 dq 1H J 16 35 | 64 63 d 1H J 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1ccncc1Cl
ir: 6 15 34 11 18 21 28 62 36 29 29 22 25 19 15 12 5 10 13 19 13 19 14 13 20 19 10 5 7 6 9 6 10 15 26 11 17 12 9 4 4 7 6 8 21 29 8 1 8 14 7 5 4 6 8 0 6 8 4 0 4 9 4 1 5 7 5 1 7 24 32 19 26 25 22 21 11 10 9 5 10 13 5 2 5 6 5 4 5 6 3 4 6 5 2 4 29 36 13 4 6 4 1 3 6 4 1 4 6 4 63 50 52 27 10 6 10 10 7 14 11 6 4 5 6 10 6 8 11 14 6 13 29 27 8 9 7 9 8 6 5 3 2 7 7 2 10 21 23 79 47 23 13 31 5 7 5 6 10 42 33 16 4 7 4 1 3 5 3 0 3 6 3 1 3 5 3 0 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 7 7 2 3 6 4 2 3 6 4 2 4 8 7 8 9 10 7 17 13 26 6 1 5 6 4 3 4 6 3 1 4 6 4 2 6 8 11 14 34 27 24 31 100 66 71 12 9 11 6 4 6 4 3 4 4 4 3 4 5 4 2 3 4 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 5 3 1 3 4 3 2 4 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4; 1HNMR: 86 86 d 1H J 14 | 83 83 dd 1H J 13 42 | 69 69 d 1H J 43 | 51 51 d 1H J 75 | 38 37 dp 1H J 63 75 | 12 12 d 6H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(F)c(OC[C@@H]3CO3)c2n1
ir: 1 2 1 1 1 1 1 1 2 3 3 1 3 2 2 2 1 1 3 2 10 11 12 11 27 11 1 3 4 1 6 20 1 3 13 9 4 7 7 17 3 6 4 2 3 1 2 2 1 4 5 100 11 4 9 24 52 11 7 2 1 1 2 3 4 5 8 10 4 3 1 11 6 3 5 13 10 6 1 3 2 2 5 8 26 2 3 2 1 1 3 2 0 1 25 7 0 1 2 1 0 0 3 2 0 1 1 1 1 1 1 1 0 1 2 2 10 18 24 16 9 5 3 4 1 1 2 3 0 1 1 4 14 1 1 1 3 2 19 83 1 2 1 0 0 23 47 9 2 9 4 1 32 5 2 1 1 3 4 1 1 1 7 3 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 1 2 2 1 1 1 2 3 3 3 8 11 14 3 57 26 5 6 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 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 d 1H J 141 | 81 81 d 1H J 81 | 71 70 d 1H J 81 | 44 44 dd 1H J 40 112 | 42 41 dd 1H J 39 113 | 40 39 s 3H | 34 33 qd 1H J 27 38 | 30 30 dd 1H J 37 77 | 26 26 dd 1H J 27 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@H]1C2
ir: 3 5 1 1 1 5 2 1 1 3 9 11 0 2 8 3 0 1 1 3 1 1 1 1 0 1 1 1 1 1 1 1 2 3 1 1 3 1 1 7 1 1 1 1 1 1 1 2 1 2 5 6 26 4 9 3 4 3 2 1 11 7 7 5 11 6 1 2 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 2 1 2 1 1 1 0 1 1 3 1 1 1 1 2 2 5 12 3 25 59 16 6 2 2 3 4 2 3 2 1 3 2 2 3 12 14 8 11 11 12 6 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 8 32 2 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 2 1 2 2 4 10 8 12 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 25 100 17 1 1 1 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 48 47 m 1H | 37 37 dt 1H J 21 121 | 35 34 dd 1H J 39 119 | 31 29 m 2H | 28 27 m 2H | 26 25 m 1H | 20 20 dddd 1H J 20 34 42 74 | 20 19 dt 1H J 35 129 | 17 16 dt 1H J 53 130 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(O)cc(F)cc2n1
ir: 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 4 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 4 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 5 1 1 4 6 5 2 6 2 1 1 1 1 1 1 1 1 1 1 1 0 18 18 2 3 9 1 1 1 1 1 3 4 1 1 1 1 1 1 1 2 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 0 6 1 1 1 1 1 1 1 1 1 1 1 5 3 1 1 2 2 1 1 1 6 3 1 1 1 1 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 2 1 5 21 7 1 1 1 0 0 1 12 100 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 79 | 73 73 dd 1H J 23 121 | 71 70 dt 1H J 8 80 | 66 66 dd 1H J 22 121 | 27 27 d 4H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)c2ccccc2n1
ir: 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 3 1 3 68 48 2 2 7 5 2 2 9 1 3 2 1 2 3 3 2 2 2 4 5 3 3 5 8 9 17 36 9 2 0 4 2 3 2 1 1 2 3 2 2 4 4 2 2 2 2 1 1 2 2 2 4 3 3 3 2 2 2 1 6 3 2 2 2 2 5 4 3 4 4 3 3 2 2 3 2 4 2 2 2 2 2 3 6 8 7 2 2 2 3 5 30 3 2 2 2 3 12 12 3 2 2 5 6 14 33 3 3 2 2 2 25 26 5 12 4 2 1 1 4 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 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 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 3 5 8 3 4 14 20 100 17 5 7 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 80 dd 1H J 15 75 | 79 79 m 1H | 77 76 td 1H J 13 72 | 75 74 ddd 1H J 14 69 82 | 70 70 t 1H J 6 | 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/c1ccc(O)cc1
ir: 2 4 2 7 2 5 14 2 24 5 4 4 4 5 4 4 2 2 2 1 0 2 3 1 1 2 4 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 3 4 26 11 24 3 5 2 0 1 2 1 0 2 10 2 2 2 10 1 1 2 3 5 5 2 3 3 9 92 37 15 10 4 2 7 1 2 3 8 14 6 3 1 1 2 1 0 2 5 2 0 1 2 1 4 3 2 3 8 7 3 5 10 3 3 3 1 2 5 5 1 2 2 2 2 2 14 6 3 2 2 1 1 1 1 1 1 1 2 1 4 36 4 2 2 4 77 3 3 5 14 3 1 2 1 1 1 2 3 1 1 1 1 0 1 6 2 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 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 4 6 4 2 5 2 2 2 3 2 2 4 4 2 2 1 3 6 14 18 26 22 11 9 3 2 4 3 10 100 46 12 5 0 2 2 1 0 1 1 0 0 1 1 1 0 1 3 1 1 2 2 0 1 2 3 2 4 5 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 dd 1H J 9 159 | 75 74 m 2H | 68 68 m 2H | 64 63 d 1H J 159 | 58 58 s 1H | 42 41 q 2H J 61 | 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.
C[C@H](Nc1cc2cnn(-c3ccc(F)cc3)c2c2ccncc12)c1ccccc1
ir: 3 3 10 5 21 12 6 9 10 11 6 12 7 5 3 8 4 13 4 15 13 42 17 1 2 5 4 4 7 10 4 5 8 5 7 4 2 21 4 4 21 6 18 13 2 3 2 1 6 3 3 1 2 6 5 66 17 8 2 2 4 3 2 1 2 3 3 6 10 9 4 5 3 11 14 14 6 3 1 1 3 8 1 3 2 3 4 2 6 17 3 1 3 6 1 1 3 6 7 6 3 3 1 1 5 3 2 3 5 12 7 5 30 5 12 5 3 7 1 3 3 3 1 4 14 3 11 63 12 13 31 10 7 6 2 14 12 3 3 5 6 3 24 28 5 12 12 34 19 10 6 18 13 6 3 3 2 3 4 3 2 0 2 6 46 4 2 7 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 2 2 2 4 3 3 9 80 15 100 20 34 18 2 4 4 3 1 5 3 3 2 2 2 2 2 8 4 2 11 2 5 18 14 55 15 6 3 5 4 2 2 3 2 1 1 2 2 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 1 1 1 1 1; 1HNMR: 95 94 d 1H J 12 | 87 87 dd 1H J 13 40 | 83 83 d 1H J 16 | 80 80 d 1H J 40 | 78 78 d 1H J 17 | 76 76 m 2H | 74 73 ddt 2H J 16 88 101 | 73 72 m 5H | 63 63 d 1H J 77 | 46 46 dq 1H J 57 78 | 16 15 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[S@@](=O)N[C@](C=O)(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1Br
ir: 6 8 8 4 19 7 4 3 5 5 6 2 5 4 7 5 2 3 5 2 5 5 5 4 5 7 3 2 2 6 4 4 3 14 14 3 8 9 10 7 27 8 6 4 7 3 3 5 6 15 16 29 16 15 12 27 37 16 7 8 4 11 24 6 8 6 6 6 14 43 11 4 5 5 11 10 4 4 2 3 12 4 1 1 3 3 2 3 3 5 3 3 4 10 3 12 28 15 26 26 17 15 14 14 15 26 3 9 15 4 1 4 7 18 6 3 8 19 29 34 79 22 5 6 5 4 25 11 4 8 4 41 12 2 1 2 5 14 12 3 4 2 5 12 20 7 2 3 3 1 16 11 5 4 12 18 4 2 2 4 2 1 3 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 2 3 2 1 2 3 2 1 2 5 4 5 11 15 10 38 29 23 5 3 4 3 2 2 3 3 2 1 2 2 3 2 2 2 8 100 90 6 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 85 dd 1H J 21 34 | 78 77 dd 1H J 20 71 | 77 76 dd 1H J 22 121 | 73 73 dd 1H J 34 70 | 72 72 dd 1H J 47 78 | 71 71 dd 1H J 21 77 | 48 48 s 1H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
ir: 5 3 1 2 5 4 11 10 9 3 3 4 3 1 9 20 8 41 9 5 4 2 5 8 21 4 6 8 19 25 68 62 52 9 6 13 32 4 28 16 88 31 29 22 12 6 7 4 6 1 4 8 21 20 64 46 47 20 10 8 2 0 2 5 5 3 5 7 6 10 11 18 15 56 3 4 8 2 4 9 14 10 43 44 4 8 11 3 6 22 23 12 18 6 9 10 2 7 24 7 6 3 7 2 3 7 4 2 2 4 4 4 2 4 6 4 3 8 11 5 2 15 15 7 4 14 30 28 28 16 9 8 14 48 12 7 53 68 16 8 6 9 11 7 15 38 15 27 53 15 12 30 12 5 3 10 5 3 3 8 12 4 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 2 2 1 0 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 0 1 2 1 1 1 2 0 1 2 2 1 1 2 2 1 1 2 1 1 1 4 3 1 2 4 3 2 3 7 7 2 5 14 18 12 100 76 25 11 10 8 7 5 4 4 2 0 3 3 2 0 2 3 3 4 5 8 6 12 31 31 60 28 13 9 4 4 3 3 2 2 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 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 77 77 dd 1H J 16 80 | 74 73 td 1H J 17 77 | 73 73 td 1H J 13 79 | 73 72 dt 1H J 11 77 | 73 72 m 3H | 71 71 m 2H | 45 45 ddd 1H J 9 45 50 | 38 38 ddd 1H J 49 56 125 | 37 36 m 4H | 36 35 ddd 1H J 49 56 125 | 29 29 ddd 2H J 37 58 125 | 28 27 ddd 2H J 36 57 125 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1
ir: 1 1 1 3 4 3 1 3 7 3 1 1 2 3 3 3 2 2 7 4 16 8 1 2 2 2 4 5 1 1 1 6 6 4 2 2 6 21 7 13 12 15 5 18 6 1 1 3 2 3 4 8 25 45 51 4 3 9 4 3 2 1 4 4 7 6 5 3 5 10 4 2 5 6 4 4 2 2 6 6 15 8 4 5 11 14 20 10 6 23 9 30 9 2 2 3 5 2 2 4 5 2 3 9 8 4 6 8 2 2 2 2 7 6 6 3 4 5 7 10 4 4 5 2 4 5 10 9 10 23 24 3 1 2 2 2 2 10 8 2 2 3 11 10 7 10 21 10 13 5 5 1 5 7 2 1 1 2 2 3 2 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 0 1 3 3 1 3 4 3 0 7 11 28 9 100 99 54 20 10 2 4 5 2 1 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 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; 1HNMR: 75 75 m 2H | 73 72 m 4H | 72 72 dd 1H J 17 82 | 72 71 m 1H | 42 42 m 1H | 35 35 dddd 1H J 12 21 43 51 | 33 32 dd 1H J 33 119 | 31 30 dd 1H J 60 118 | 30 29 ddd 1H J 31 49 117 | 29 28 m 1H | 21 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2cc(OCc3ccccn3)nc3c2CCC3)n1
ir: 1 6 9 17 11 13 5 3 3 3 3 1 1 5 2 2 1 4 2 2 3 7 7 19 9 9 12 4 10 3 4 10 13 5 49 18 6 23 40 14 4 2 3 4 5 8 42 100 2 4 3 8 10 8 15 13 10 9 3 4 2 3 5 2 18 7 4 5 26 32 18 6 4 4 2 1 2 7 12 9 9 9 14 2 5 2 9 7 10 13 3 2 3 3 5 3 3 2 1 2 3 2 1 2 2 2 5 4 10 4 4 3 4 3 5 3 4 3 0 5 9 11 5 7 6 8 6 22 9 2 0 4 6 4 8 46 55 35 76 9 3 2 4 10 3 2 12 7 21 6 5 8 11 2 66 5 5 17 5 1 17 3 2 0 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 3 2 2 2 8 9 3 3 5 3 4 2 11 11 16 51 96 84 44 11 6 4 6 1 0 4 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 86 dd 1H J 16 42 | 79 78 td 1H J 16 74 | 77 76 t 1H J 72 | 76 76 dd 1H J 13 73 | 74 73 ddd 1H J 15 42 75 | 73 73 dddd 2H J 8 17 73 159 | 69 69 s 1H | 53 53 d 2H J 10 | 31 30 m 2H | 30 29 td 2H J 41 76 | 26 26 d 3H J 7 | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(Br)c(O)c(C)cc2n1
ir: 86 15 3 8 3 4 3 3 5 4 3 3 3 3 3 3 3 3 3 4 4 13 3 4 4 3 3 4 22 3 6 6 24 9 6 3 5 6 5 6 6 6 9 8 6 3 15 20 20 20 4 4 4 5 5 7 6 4 4 3 4 5 15 5 29 15 11 10 12 15 9 9 9 6 10 7 5 9 6 3 4 5 4 7 68 27 95 7 4 3 5 6 24 5 4 3 4 4 4 5 6 6 5 3 3 4 6 21 8 7 5 3 3 4 3 14 11 4 3 4 5 5 6 12 17 12 10 6 5 4 9 5 4 3 3 11 4 4 4 7 71 5 3 4 4 15 4 4 4 42 6 4 3 3 42 4 6 26 6 4 3 3 3 3 4 13 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 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 5 3 3 4 3 4 3 3 3 3 3 3 3 3 3 4 4 4 5 4 3 4 5 6 7 5 5 4 5 4 7 5 8 21 25 34 15 9 10 3 0 19 100 27 13 4 1 4 5 3 2 4 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 5 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; 1HNMR: 83 83 d 1H J 81 | 74 73 d 1H J 8 | 73 73 dq 1H J 9 82 | 54 54 s 1H | 27 27 d 3H J 7 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2nc(-n3cncn3)nc(NCc3ccc4c(c3)OCCO4)c12
ir: 21 18 12 8 6 10 8 10 6 6 5 6 4 11 14 5 4 7 7 5 3 4 4 2 6 4 6 3 4 5 5 1 1 4 4 3 4 6 6 17 12 11 20 100 27 9 6 1 2 5 8 20 14 24 38 16 9 5 4 4 5 5 3 3 10 6 5 6 10 10 7 3 3 4 1 2 3 3 2 1 3 3 1 2 3 3 7 10 4 8 7 2 9 13 11 4 4 6 31 6 12 5 3 2 4 2 1 4 5 4 2 6 16 6 2 4 7 5 8 41 11 5 7 9 20 5 8 3 6 8 24 14 6 4 5 3 10 42 5 2 3 6 14 64 10 4 2 4 3 2 20 14 83 8 10 94 30 4 2 4 3 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 3 1 3 4 3 2 3 4 2 1 3 4 3 1 6 10 15 58 7 16 22 6 7 4 3 3 2 3 2 1 2 3 1 1 3 3 4 3 4 8 6 9 25 94 9 7 4 4 12 3 3 2 2 2 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 87 87 d 1H J 16 | 83 83 d 1H J 16 | 77 77 t 1H J 54 | 72 71 s 1H | 70 69 ddt 1H J 9 18 90 | 69 68 dt 1H J 8 17 | 68 67 d 1H J 90 | 48 47 dt 2H J 9 53 | 43 42 m 4H | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(CNCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
ir: 9 7 4 2 2 3 5 3 5 4 5 4 3 3 3 2 1 3 5 5 7 4 5 2 4 2 4 8 5 8 11 15 16 9 11 6 12 26 14 11 19 11 13 6 4 8 5 7 6 7 6 8 2 5 5 4 4 5 2 3 3 3 4 3 2 4 12 4 8 8 2 3 6 6 2 2 3 3 2 2 3 2 2 1 2 2 1 1 4 3 2 2 2 3 2 2 3 4 4 3 3 2 3 4 7 5 9 8 4 10 5 16 10 10 13 12 7 4 9 9 8 7 3 4 4 2 3 9 7 5 8 7 11 9 8 16 14 4 2 2 2 10 17 88 16 13 29 12 11 100 9 0 2 4 2 1 1 2 2 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 2 3 3 3 5 4 3 2 3 4 4 3 8 33 10 8 26 22 3 3 3 3 2 2 3 2 1 2 2 2 2 2 4 4 6 19 20 11 5 8 22 19 5 3 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 d 4H J 41 | 73 73 ddd 1H J 37 49 83 | 51 50 m 3H | 40 40 tt 1H J 51 66 | 39 38 dddd 1H J 38 68 82 106 | 35 34 m 2H | 30 30 ddd 1H J 38 67 134 | 28 27 ddd 1H J 38 67 134 | 17 16 m 1H | 15 14 m 1H | 14 14 s 10H | 13 12 ddd 1H J 68 77 145 | 9 9 dd 6H J 67 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2c(N)nc3ccccc3c2n1CCCl
ir: 0 1 1 2 0 1 1 3 2 2 4 1 1 2 2 1 1 2 0 2 1 2 2 5 2 3 5 4 1 1 2 2 3 2 4 3 2 4 4 14 3 13 24 47 2 1 6 1 1 1 2 1 1 0 2 1 1 2 3 3 2 0 1 1 1 1 2 1 1 3 2 2 3 2 1 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 2 3 2 2 2 2 3 6 14 3 1 5 7 1 9 21 13 8 4 4 4 4 5 4 37 34 8 5 3 3 2 2 1 1 1 3 1 1 2 2 1 3 11 4 1 1 4 11 2 1 1 1 1 2 1 2 11 1 3 13 7 4 1 1 1 1 0 0 0 1 1 2 15 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 2 3 2 6 8 5 3 4 3 4 7 4 6 4 28 10 6 31 41 6 5 3 3 2 3 1 1 1 3 1 1 2 14 18 3 1 2 1 2 7 100 5 2 1 1 1 1 1 1 0 1 1 1 2 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 14 77 | 79 79 m 1H | 77 76 m 2H | 64 64 s 2H | 44 44 t 2H J 17 | 39 39 t 2H J 17 | 27 26 t 2H J 70 | 17 16 p 2H J 68 | 15 14 m 2H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(CF)cc(C(=O)OC)c1
ir: 100 42 12 9 6 4 6 4 2 2 1 1 1 2 4 5 1 1 2 2 1 1 1 3 2 4 3 3 1 2 4 12 22 4 3 1 1 1 1 0 1 2 1 0 0 1 0 0 1 1 2 1 2 1 2 0 1 1 1 1 1 5 6 11 4 6 5 7 6 12 1 0 1 1 1 3 2 1 0 0 1 1 0 0 1 3 3 1 3 2 0 0 1 1 1 10 15 5 2 1 1 1 1 1 1 1 1 1 1 1 2 2 6 36 31 14 3 11 7 19 4 2 1 2 7 13 30 22 7 4 5 9 8 3 2 0 1 1 1 1 2 4 0 3 8 100 80 25 2 4 4 3 1 3 3 1 1 1 1 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 4 10 14 12 28 22 19 10 1 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 21 | 80 80 dq 2H J 9 21 | 56 55 d 1H J 9 | 55 54 d 1H J 9 | 39 39 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)c(CCNC(C)=O)cn2S(=O)(=O)c1ccc(C)cc1
ir: 3 3 2 1 3 2 2 4 7 5 13 6 8 5 7 19 6 8 2 4 2 2 1 3 3 6 4 7 15 14 20 34 12 5 6 4 3 2 1 2 1 1 1 2 2 1 2 3 3 2 3 5 7 22 27 6 4 2 2 4 6 2 3 5 7 10 22 28 7 12 6 8 3 3 3 2 1 7 5 2 0 16 2 2 24 13 1 3 7 4 3 2 2 20 28 4 2 4 5 3 10 31 3 2 5 14 3 3 5 3 3 2 3 3 1 2 2 4 4 4 4 5 3 4 10 17 4 3 2 4 6 4 2 2 2 2 2 1 2 3 4 5 8 15 27 22 100 25 7 10 6 0 5 5 7 4 2 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 4 2 2 1 1 3 2 2 2 2 3 1 4 5 6 6 20 25 26 4 7 20 8 2 2 2 1 1 1 2 1 1 1 2 2 1 5 8 8 23 17 29 17 9 4 6 2 2 2 2 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 79 | 79 78 q 1H J 7 | 78 77 m 2H | 72 72 m 2H | 72 71 d 1H J 27 | 70 70 dd 1H J 27 79 | 70 69 t 1H J 51 | 39 38 s 3H | 34 33 q 2H J 51 | 31 30 td 2H J 8 50 | 24 24 d 3H J 9 | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.