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Clc1cncc(NCc2ccco2)n1
ir: 3 2 6 5 3 3 3 2 3 4 13 18 6 6 8 9 12 27 25 21 12 18 10 5 8 5 4 7 7 3 6 7 5 6 5 3 11 19 8 2 4 1 2 1 1 1 1 1 1 1 1 2 2 4 2 2 2 4 1 1 1 1 2 4 14 13 21 5 14 4 3 2 1 1 1 2 1 1 3 4 5 2 10 4 3 2 2 0 1 1 4 5 1 1 1 1 0 2 9 1 1 1 2 1 2 1 4 1 1 1 2 7 12 8 2 2 3 4 0 8 6 6 5 22 13 16 6 11 11 3 4 2 1 4 3 3 2 1 0 2 10 5 1 10 21 9 100 14 15 11 3 1 8 4 1 1 1 1 3 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 0 0 1 0 0 1 2 1 0 1 1 1 1 1 2 2 1 1 2 3 5 7 7 3 2 2 1 1 2 1 1 1 1 1 1 0 0 2 2 1 3 18 12 44 68 30 7 5 2 3 1 2 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 76 76 t 1H J 16 | 66 66 t 1H J 49 | 64 64 dd 1H J 15 49 | 63 62 ddt 1H J 9 17 51 | 50 49 dd 2H J 9 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Oc2ccc(C=O)c(F)n2)cc1
ir: 3 7 6 8 6 4 5 5 6 5 4 5 7 10 6 10 6 4 4 3 3 3 3 4 4 3 3 3 4 4 3 4 11 7 13 33 8 6 6 4 4 4 3 3 4 5 4 3 3 3 4 6 43 100 44 32 27 5 5 4 4 7 5 5 4 3 3 3 3 6 5 3 3 3 3 5 4 4 4 3 3 4 3 4 5 5 5 4 9 4 3 3 3 3 3 3 3 3 3 3 3 7 4 4 4 3 4 12 4 4 3 3 3 4 5 20 11 4 6 5 4 5 5 4 13 28 9 5 4 3 3 4 4 4 6 17 5 4 3 4 4 12 10 16 8 3 3 4 5 8 23 27 11 3 36 2 6 5 4 0 16 3 6 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 4 4 5 6 18 64 27 8 6 3 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; 1HNMR: 99 99 d 1H J 33 | 81 81 dd 1H J 38 80 | 79 79 m 2H | 71 70 m 2H | 70 69 d 1H J 81 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(CCCl)Oc2ncc(Br)cc2C1=S
ir: 21 5 1 4 16 10 0 5 8 3 1 3 9 4 1 20 8 6 7 9 6 2 2 4 4 2 2 6 6 2 3 5 22 3 3 5 5 5 9 40 100 34 10 17 11 2 8 20 6 0 4 7 4 0 3 6 3 1 5 7 4 2 4 5 8 68 38 16 8 3 4 7 3 2 7 27 9 6 15 10 9 3 5 4 3 2 11 9 25 2 5 4 5 6 9 9 3 6 35 11 6 7 7 6 28 7 7 5 4 3 5 3 2 4 11 13 10 11 15 22 31 14 7 8 5 5 6 4 4 7 12 29 23 35 99 6 4 6 5 2 2 5 5 2 2 5 40 6 2 5 4 3 5 38 8 1 2 8 5 6 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 4 4 1 2 4 3 1 2 4 3 2 4 6 4 2 5 10 7 2 4 10 4 3 4 19 29 4 4 8 30 8 7 4 4 2 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 84 84 d 1H J 16 | 83 83 d 1H J 18 | 50 50 tt 1H J 52 66 | 40 39 dd 1H J 51 121 | 37 36 m 2H | 36 35 dt 1H J 36 112 | 32 31 s 2H | 25 24 ddt 1H J 35 69 130 | 23 22 ddd 1H J 34 67 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CNc1c(-c2ccccc2)sc2ccccc12
ir: 5 3 2 4 10 5 4 11 7 5 3 6 9 3 1 3 5 2 1 3 4 1 3 6 4 1 1 4 6 9 46 35 10 11 13 10 18 18 19 55 59 45 44 62 5 8 5 4 4 3 3 14 11 3 4 4 2 1 2 4 3 1 3 4 4 1 6 11 15 46 8 24 32 16 13 30 10 7 9 6 5 3 5 6 4 11 17 6 2 2 3 3 2 2 5 3 1 2 4 4 1 2 4 3 2 82 8 4 2 3 3 3 1 2 5 17 5 4 5 5 3 5 4 4 3 24 23 7 4 7 7 5 47 38 12 21 14 6 5 5 16 35 9 7 9 12 6 10 14 3 9 60 14 11 7 2 11 77 100 7 3 11 4 0 3 6 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 2 4 5 3 2 4 5 3 4 5 7 12 22 46 87 74 18 33 15 6 4 4 4 3 2 3 4 2 1 6 8 3 2 5 14 8 10 84 92 30 9 7 6 2 3 6 4 2 2 4 3 1 2 3 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 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: 86 86 d 1H J 66 | 85 85 d 1H J 66 | 80 80 dd 1H J 14 78 | 78 78 m 2H | 78 78 dd 1H J 15 67 | 75 74 m 4H | 74 73 td 1H J 14 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCN(C)CCNc1n[n+]([O-])c2cc3c(cc2[n+]1[O-])CCC3
ir: 15 14 7 6 4 4 6 6 26 34 4 4 8 9 34 12 10 29 28 20 9 18 7 37 36 11 6 13 6 1 2 2 4 2 4 5 8 2 2 4 4 7 5 3 2 1 1 1 1 1 1 2 2 11 1 0 5 2 1 3 5 9 1 10 22 7 4 13 15 19 40 9 1 2 3 3 1 5 3 1 7 18 26 2 1 1 1 2 2 3 31 17 30 55 7 8 5 3 11 6 8 3 2 2 1 1 1 2 2 2 4 11 19 5 6 7 7 5 11 100 12 29 7 9 0 10 7 10 99 5 2 3 4 1 1 4 6 5 1 2 5 3 2 4 16 23 3 6 18 15 11 2 1 1 2 12 3 1 1 0 6 3 1 1 1 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 2 2 4 6 3 2 1 2 2 5 17 32 5 10 57 22 9 4 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 2 2 3 4 7 34 48 40 39 8 4 3 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 91 91 s 1H | 82 82 t 1H J 55 | 77 77 d 1H J 9 | 72 72 t 1H J 8 | 38 37 td 2H J 55 70 | 34 34 t 2H J 62 | 33 33 s 2H | 29 28 m 7H | 26 25 t 2H J 63 | 24 23 s 2H | 22 21 pd 2H J 10 64 | 18 17 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(C)cc(I)cc1F
ir: 2 3 6 19 6 2 3 2 3 5 7 5 9 11 10 9 5 6 35 22 12 5 4 3 3 1 23 56 16 6 4 1 1 4 3 1 1 3 3 1 2 2 2 1 2 3 2 0 2 3 2 1 3 4 2 0 2 3 3 1 5 5 11 36 44 26 26 37 12 21 33 38 47 12 15 6 5 7 3 2 2 2 1 1 3 5 5 3 3 2 2 1 2 2 1 1 3 2 3 3 6 14 77 38 10 13 2 3 5 5 5 3 3 3 4 8 5 16 10 28 17 41 56 31 7 6 3 8 11 3 3 5 10 42 52 16 4 3 4 2 4 7 5 8 15 4 8 29 7 3 3 3 2 19 71 34 8 4 8 84 6 1 1 3 2 0 1 3 1 0 2 4 2 0 2 3 2 1 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 2 8 4 2 3 3 4 3 6 9 9 9 12 17 27 37 25 15 99 100 13 11 6 7 4 3 2 4 5 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 d 1H J 27 | 74 74 dd 1H J 22 121 | 26 25 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.
CCOC(=O)C(CC)C1CCN(C(=O)OC(C)(C)C)CC1
ir: 3 2 3 2 4 8 2 2 4 7 17 7 0 1 1 3 1 1 1 1 0 0 0 0 0 2 1 1 1 0 1 1 2 2 0 0 0 1 1 1 0 1 0 1 0 0 1 1 1 2 0 0 0 0 1 2 1 1 1 1 0 2 1 2 2 1 1 1 1 1 1 0 1 1 2 3 1 1 0 0 0 0 0 0 0 1 2 0 1 1 0 0 1 1 1 0 1 2 1 1 1 2 2 2 4 10 5 2 4 3 7 4 7 4 3 3 4 4 4 7 7 5 7 7 5 2 1 1 3 4 6 5 3 1 2 2 1 3 1 1 1 0 1 2 1 3 100 1 1 1 3 47 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 3 1 1 2 3 1 2 5 16 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 40 m 2H | 37 36 ddd 2H J 60 88 121 | 34 34 ddd 2H J 60 88 121 | 24 23 tddd 1H J 15 29 66 81 | 23 22 dp 1H J 54 97 | 20 19 ddt 2H J 57 86 126 | 17 16 m 1H | 17 16 m 2H | 15 14 m 1H | 15 14 s 9H | 13 12 t 3H J 63 | 9 9 td 3H J 15 78
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](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
ir: 5 7 12 6 3 6 18 8 11 7 14 2 1 1 3 3 1 2 2 5 7 3 2 3 2 3 2 4 3 4 1 37 11 8 6 6 10 5 4 11 7 4 46 4 1 8 2 2 2 2 3 2 4 5 2 1 3 2 1 1 1 2 1 1 1 2 1 2 13 22 1 2 2 1 1 2 1 5 0 2 1 1 0 1 2 1 22 2 2 3 4 4 2 2 9 9 7 8 13 7 3 5 13 9 5 16 6 6 2 1 4 5 11 2 3 2 2 2 1 2 3 1 1 2 2 1 1 3 4 2 2 18 5 0 6 20 2 1 1 1 2 2 2 10 4 4 16 3 16 4 1 3 19 3 2 3 9 1 1 2 1 0 3 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 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 2 1 1 2 2 3 4 4 4 7 14 10 7 29 33 6 3 2 3 5 7 100 5 2 3 1 1 1 1 1 1 1 1 1 1 1 3 4 5 14 17 4 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 94 94 s 1H | 82 81 d 1H J 11 | 76 75 m 1H | 75 74 m 1H | 73 71 m 3H | 73 72 s 4H | 50 49 td 1H J 20 42 | 39 38 ddd 1H J 9 70 121 | 38 37 m 1H | 37 36 m 1H | 36 35 ddd 1H J 9 69 121 | 34 33 m 1H | 30 29 dd 1H J 77 134 | 27 26 dd 1H J 77 135 | 24 23 m 1H | 23 22 m 1H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc2c(C(O)CO)cccc2c1C
ir: 29 43 47 38 15 21 27 17 13 8 5 12 6 5 9 12 10 11 7 6 8 7 9 7 5 6 6 6 5 5 6 7 7 5 5 4 8 14 17 6 8 4 5 6 7 7 9 12 11 6 6 5 4 4 4 4 4 5 4 5 5 5 5 7 6 4 5 6 6 4 5 5 10 11 8 6 6 5 7 7 4 5 11 16 9 13 52 68 73 33 6 10 11 10 17 8 5 8 5 5 6 6 4 4 5 4 5 4 5 5 4 4 4 4 4 5 7 9 7 9 9 6 10 5 5 5 7 7 5 4 4 5 7 7 5 5 9 7 7 4 8 21 4 4 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 6 5 4 5 5 5 6 5 6 6 5 8 8 14 8 6 17 56 48 18 5 5 6 24 76 100 53 0 7 8 5 3 5 5 4 3 4 4 4 3 4 4 4 4 4 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 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 77 76 dd 1H J 13 91 | 73 72 dt 1H J 11 95 | 72 71 t 1H J 93 | 51 51 m 1H | 41 41 t 1H J 59 | 40 39 m 2H | 37 37 ddd 1H J 46 59 119 | 23 22 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.
COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc3ccccc3c2)c1OC
ir: 1 1 0 1 1 1 1 2 1 2 3 4 3 2 2 3 0 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 2 1 4 6 6 6 3 3 3 6 6 4 2 2 2 2 2 3 1 1 1 2 1 1 0 0 0 1 2 1 1 1 1 1 4 3 2 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 2 1 1 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 3 5 2 8 16 9 9 4 3 10 14 27 8 4 2 2 14 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 6 4 2 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 6 4 2 1 0 0 0 1 1 1 2 4 12 100 10 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; 1HNMR: 80 80 m 1H | 79 78 m 4H | 76 75 m 5H | 71 71 dt 1H J 9 20 | 68 67 dt 1H J 9 20 | 59 59 s 2H | 58 58 s 2H | 39 39 s 3H | 39 39 s 3H | 37 36 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(F)(F)F)c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1
ir: 1 1 2 3 4 1 3 2 3 3 2 9 3 6 2 1 2 1 2 1 2 3 6 4 2 9 3 7 6 9 41 31 5 49 6 3 5 4 10 10 8 3 2 4 3 4 2 3 2 45 4 2 2 4 13 14 17 24 2 2 1 2 1 7 2 7 4 4 5 7 7 2 1 1 1 0 1 4 3 2 2 4 2 2 2 1 1 1 1 1 1 1 2 2 1 2 3 1 1 1 1 6 4 2 3 25 7 2 2 1 0 3 3 6 2 2 3 2 1 4 3 2 2 10 4 16 7 24 10 2 1 1 1 1 4 3 2 3 7 20 9 9 5 11 34 32 3 7 14 9 4 2 24 5 19 100 4 1 13 2 7 0 27 29 3 4 3 40 4 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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 2 1 2 4 6 4 19 24 8 5 3 1 1 1 0 1 1 0 0 1 2 0 0 2 2 1 1 2 5 9 19 15 56 9 5 3 1 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 d 1H J 20 | 89 89 d 1H J 15 | 87 87 dd 1H J 18 48 | 87 86 s 1H | 86 85 dt 1H J 18 93 | 85 84 ddt 1H J 22 55 77 | 82 82 dd 1H J 15 84 | 80 80 d 1H J 84 | 79 79 dd 1H J 22 33 | 75 75 ddd 1H J 21 35 77 | 73 72 dd 1H J 48 93 | 72 71 dd 1H J 77 102 | 42 40 qd 2H J 55 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Cc1cc(CC[C@](C)(C(=O)OCc2ccccc2)S(C)(=O)=O)no1)OS(C)(=O)=O
ir: 25 16 22 14 8 15 8 9 6 6 10 6 4 4 3 2 3 5 3 2 2 3 3 2 2 1 1 2 3 4 6 4 3 2 4 9 4 6 5 10 13 4 2 11 4 4 3 2 2 2 1 4 6 6 3 3 2 4 14 9 5 3 2 2 7 6 5 5 14 91 15 18 28 6 12 9 11 10 10 7 12 7 3 5 17 25 22 25 100 21 10 5 2 6 3 7 5 5 1 8 15 6 11 6 15 18 37 7 4 4 5 3 1 5 12 17 4 17 7 14 11 20 15 8 8 5 5 4 3 3 2 2 2 5 16 38 28 5 2 3 5 5 5 54 17 13 3 2 1 1 2 0 1 1 6 18 3 3 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 0 1 1 1 1 1 1 1 1 1 2 3 7 6 4 5 5 6 2 4 4 3 3 7 7 27 57 38 17 48 30 36 7 7 3 1 1 2 2 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 6H | 61 60 p 1H J 9 | 52 51 m 2H | 50 49 tddd 1H J 15 44 59 76 | 32 32 m 4H | 31 31 s 2H | 30 29 ddd 1H J 8 78 147 | 29 28 dtd 1H J 8 78 148 | 27 26 dtd 1H J 8 79 148 | 26 25 dt 1H J 79 160 | 24 23 dt 1H J 78 160 | 18 17 dqd 1H J 59 73 122 | 16 15 dqd 1H J 59 74 122 | 15 14 s 2H | 10 9 td 3H J 16 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)c(Cl)c1C
ir: 1 1 0 1 1 1 0 1 1 2 1 6 7 9 3 3 3 5 5 7 14 22 28 40 9 7 8 3 2 1 2 2 2 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 3 3 5 4 3 2 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 2 7 32 29 9 1 1 2 3 0 1 3 4 2 1 2 1 0 4 5 5 2 1 2 1 0 1 1 1 0 1 2 1 0 2 2 1 1 2 2 6 6 8 3 1 1 1 2 1 0 1 1 1 0 1 1 1 1 3 3 1 1 2 2 2 4 19 11 13 6 3 3 5 1 3 2 0 1 9 4 1 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 8 5 2 1 1 1 3 1 2 100 74 28 6 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 d 1H J 88 | 68 67 d 1H J 88 | 38 38 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.
C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C
ir: 1 2 5 2 1 3 5 2 3 5 3 2 3 5 6 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 4 2 1 4 6 2 1 4 3 0 1 9 87 100 12 2 2 3 3 6 3 2 2 2 2 5 2 2 2 2 3 5 6 1 3 3 4 4 8 12 21 10 7 5 2 5 23 23 8 3 9 4 3 4 3 9 5 3 2 2 2 2 3 3 2 2 2 4 4 5 4 22 4 18 10 5 3 2 3 3 2 3 11 9 15 5 6 7 11 7 4 4 3 5 10 8 7 5 5 4 6 6 2 4 6 7 57 42 22 6 4 1 1 4 4 2 4 11 17 5 1 2 2 1 2 3 4 5 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 2 3 3 2 6 9 5 3 4 3 4 6 8 8 9 8 11 8 11 63 35 15 56 64 29 10 4 3 4 4 2 2 2 6 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 74 73 m 2H | 72 72 m 2H | 20 19 m 5H | 16 15 m 4H | 14 13 m 4H | 10 10 d 11H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)C(O)/C(C)=C/Cc1c(OC)c(C)c2c(c1OCOCCOC)C(=O)OC2
ir: 1 2 1 2 3 2 3 2 2 1 2 1 2 2 2 2 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 1 1 1 1 1 1 1 2 1 2 1 1 1 0 1 1 2 1 2 1 2 4 4 3 4 2 2 3 1 3 1 1 1 2 1 1 1 1 1 1 1 5 2 2 1 3 5 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 1 2 1 1 2 2 2 2 3 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 11 2 1 1 1 1 1 1 1 1 2 5 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 4 2 2 1 2 1 0 1 8 13 100 7 0 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 56 55 ddq 1H J 12 61 74 | 53 52 s 2H | 51 51 s 2H | 43 43 m 1H | 42 41 q 2H J 59 | 38 38 s 3H | 38 37 t 2H J 47 | 37 37 d 1H J 70 | 36 35 t 2H J 47 | 35 34 m 2H | 34 34 s 3H | 22 22 s 3H | 17 17 p 3H J 11 | 13 13 d 3H J 14 | 13 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C2=C(O)CCCC2=O)cc1
ir: 1 1 1 3 1 2 2 4 2 1 2 1 1 1 2 2 8 4 2 5 11 8 3 5 1 2 4 3 2 2 7 4 6 8 5 17 29 15 11 6 3 3 17 2 4 4 1 1 2 7 17 22 7 34 10 12 5 3 4 4 3 1 2 4 2 7 1 1 3 17 3 2 1 1 1 1 1 9 1 1 0 0 1 1 1 0 1 3 1 1 8 16 10 3 2 7 5 34 7 15 53 20 5 3 3 3 2 15 6 2 6 10 5 3 1 1 4 1 1 2 5 2 1 3 22 8 4 3 0 1 1 1 1 4 2 1 0 1 2 3 3 2 2 0 5 57 5 1 25 3 18 32 4 0 0 4 6 100 3 0 1 1 6 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 1 1 1 1 1 0 0 1 0 1 1 1 0 0 1 1 1 2 1 2 2 2 2 1 2 2 5 30 6 17 37 8 10 18 40 66 22 6 2 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 79 m 2H | 69 69 m 2H | 38 38 s 3H | 28 27 m 2H | 25 25 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1C)NC(=S)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2
ir: 2 5 7 7 7 5 6 5 5 4 4 3 2 7 11 10 4 6 7 46 21 4 37 10 3 5 6 12 26 9 22 32 7 11 5 19 22 11 6 2 2 4 3 2 4 7 11 15 6 4 4 2 4 20 25 4 6 5 28 7 6 8 4 2 5 7 9 3 8 11 10 28 15 14 16 2 4 4 3 2 3 4 2 1 3 4 3 6 7 5 2 2 5 9 8 5 4 6 1 4 6 16 6 3 5 5 3 4 7 5 5 28 9 9 22 4 4 8 3 5 5 4 1 7 6 25 40 17 12 22 6 7 12 6 6 21 6 3 5 16 13 11 11 14 10 59 7 5 4 14 9 6 15 25 34 9 5 3 3 3 4 0 5 22 11 2 2 3 2 2 2 3 2 2 3 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 4 2 3 4 5 4 8 6 3 3 5 6 6 11 24 10 31 100 24 16 11 5 4 5 3 3 5 4 3 2 3 3 2 2 3 4 6 3 5 5 2 45 24 6 14 4 3 3 3 3 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 89 89 d 1H J 15 | 84 83 dd 1H J 14 47 | 79 78 m 2H | 76 76 m 2H | 75 75 d 1H J 7 | 72 72 d 1H J 47 | 71 71 d 1H J 8 | 40 39 s 2H | 26 26 s 3H | 24 23 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)n1-c1ccc(-c2cscn2)cc1
ir: 16 6 1 11 10 8 5 8 21 15 29 15 11 8 7 10 14 3 6 17 19 4 6 7 8 2 2 6 11 3 2 7 6 2 7 10 6 5 24 11 7 2 3 8 5 2 8 9 5 1 5 19 7 1 22 37 18 11 25 13 7 17 12 14 12 38 11 13 28 8 15 8 5 1 8 16 7 17 13 12 3 1 14 33 28 84 30 29 13 27 11 12 3 3 7 7 5 6 13 34 2 4 11 24 52 17 38 8 8 8 9 6 1 7 13 5 2 5 11 8 3 23 22 12 19 6 8 5 16 10 7 4 3 15 34 16 3 16 7 4 12 7 7 3 3 6 7 3 14 64 8 7 31 77 11 20 7 9 6 1 3 8 5 9 8 8 5 0 4 8 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 7 3 1 5 6 3 1 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 5 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 6 6 2 2 6 6 2 3 6 5 2 3 7 6 2 8 9 6 2 4 8 5 1 5 11 7 4 34 58 18 44 29 100 85 67 23 8 6 5 7 7 5 3 5 6 4 4 5 6 4 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 89 88 d 1H J 16 | 80 79 dd 1H J 47 94 | 77 76 m 3H | 76 75 m 3H | 75 74 dd 1H J 21 121 | 68 67 d 1H J 70 | 64 64 dq 1H J 8 70 | 33 32 s 2H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC/C=C/COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2C(=O)O)cc1
ir: 1 1 0 1 2 1 7 1 1 1 1 2 1 2 2 2 2 5 5 2 24 13 8 4 3 1 1 3 2 1 2 1 3 0 1 1 1 0 1 4 2 8 12 100 11 9 3 1 1 2 1 0 1 1 1 1 4 3 1 1 1 1 0 1 1 1 1 2 2 1 1 1 2 4 5 6 15 8 3 7 2 3 3 1 1 2 9 1 2 1 0 0 1 2 1 1 1 1 0 0 2 1 0 1 1 1 3 3 2 1 1 1 1 1 1 1 1 2 2 3 3 1 1 1 1 2 2 1 1 2 1 1 2 11 6 3 4 5 0 1 1 0 2 5 7 0 2 5 3 3 4 4 3 1 3 3 0 1 1 10 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 4 4 24 8 1 2 1 1 1 1 3 4 82 4 1 1 1 1 0 1 1 1 1 1 1 2 3 4 4 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; 1HNMR: 99 99 s 1H | 79 79 dd 1H J 16 76 | 79 78 m 2H | 77 76 dd 1H J 14 75 | 76 76 td 1H J 16 72 | 75 74 dd 1H J 18 70 | 74 74 dd 1H J 17 70 | 74 73 td 1H J 17 73 | 73 72 td 1H J 17 76 | 71 71 m 1H | 70 69 m 2H | 56 55 m 2H | 46 45 ddt 2H J 9 22 31 | 21 20 m 2H | 14 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(Cl)c2c3c(c(-c4ccccc4Cl)cc2n1CCCO)C(=O)NC3=O
ir: 1 2 2 2 2 4 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 1 2 1 1 3 1 2 10 8 6 9 12 42 12 1 2 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 3 2 2 5 8 5 4 2 1 1 3 2 1 1 2 2 2 2 2 1 2 3 5 3 14 19 8 7 8 9 2 2 1 1 1 1 1 0 1 1 2 7 4 2 2 13 5 4 2 1 4 3 2 1 3 3 2 1 1 2 1 1 1 1 1 1 1 1 0 1 2 4 8 1 1 1 8 1 1 2 7 5 4 2 0 0 1 3 0 0 8 1 25 3 0 2 14 2 9 2 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 2 2 2 1 2 1 1 3 2 1 2 1 2 4 5 3 3 4 9 50 8 2 3 0 3 6 9 100 7 0 4 2 1 0 1 1 1 0 1 2 1 3 7 42 7 2 0 0 1 1 0 1 1 1 1 2 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 79 79 s 1H | 77 77 dd 1H J 12 76 | 75 74 m 2H | 74 73 m 1H | 42 42 t 2H J 61 | 36 35 m 4H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc(C(N)=O)n3)nc2N1C1CCCC1
ir: 2 1 2 3 2 2 2 2 3 2 1 2 2 2 2 3 4 2 2 8 16 15 28 12 7 7 3 2 3 2 1 3 3 2 2 3 5 8 2 4 12 62 20 17 16 11 4 4 5 2 2 2 3 4 4 3 2 2 2 2 6 2 2 1 1 1 2 2 1 1 2 2 2 2 4 4 2 2 2 3 2 1 2 2 1 2 2 2 3 3 4 3 3 5 11 4 2 2 2 2 2 2 3 2 2 3 3 3 4 3 3 3 3 2 3 3 1 6 6 5 2 2 4 2 3 4 12 18 7 3 3 4 3 3 2 3 4 6 7 3 4 4 6 1 4 11 18 8 13 4 4 6 9 5 2 0 2 16 82 18 11 4 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 2 2 2 1 2 4 7 1 2 2 2 5 7 5 4 3 2 2 1 1 1 2 1 1 2 2 3 9 3 2 1 1 1 2 1 1 2 3 0 0 100 3 4 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H | 79 79 d 1H J 57 | 78 78 s 2H | 74 73 d 1H J 57 | 44 43 tq 1H J 15 75 | 43 42 p 1H J 54 | 34 34 s 2H | 23 22 m 2H | 22 20 dp 1H J 75 119 | 20 18 m 3H | 20 20 s 1H | 18 17 m 2H | 17 16 m 2H | 10 10 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cccnc12
ir: 10 8 8 11 8 6 9 10 8 6 12 4 4 5 6 5 3 6 8 7 4 21 6 6 6 8 13 8 18 22 17 19 12 20 10 6 8 10 12 4 29 20 8 7 36 29 14 0 54 31 16 12 10 100 19 16 7 8 5 5 8 10 13 23 12 8 4 5 5 5 5 5 5 5 6 17 11 12 5 5 7 16 12 6 5 6 11 6 4 4 5 5 6 4 5 5 6 10 63 10 7 5 3 4 5 8 7 9 6 4 5 11 13 41 25 9 7 12 60 7 9 5 6 11 12 9 4 4 4 4 4 6 6 19 5 10 14 12 20 5 11 11 9 15 27 61 20 14 9 10 11 51 73 29 66 36 11 9 25 84 27 4 4 5 4 5 10 6 4 3 4 5 4 3 4 4 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 5 4 5 6 6 10 57 28 18 12 9 6 6 4 4 4 4 4 4 5 7 3 5 7 5 9 8 8 20 35 32 98 58 34 10 15 11 5 4 6 5 3 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4; 1HNMR: 89 89 dd 1H J 16 40 | 86 86 dd 1H J 21 36 | 82 81 m 2H | 79 78 dd 1H J 20 71 | 78 78 q 1H J 16 | 77 77 d 1H J 90 | 75 75 dd 1H J 39 84 | 74 74 dd 1H J 35 71 | 70 69 q 1H J 49 | 29 29 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ncc1C(=O)O
ir: 2 4 7 6 4 8 11 7 7 6 10 5 7 7 3 4 7 7 10 10 17 13 91 56 22 8 15 5 4 5 2 3 5 2 3 5 24 11 5 7 7 9 14 3 3 4 3 2 2 3 2 2 3 5 6 19 22 5 4 3 2 4 3 4 11 5 10 22 26 13 7 6 14 13 7 13 8 16 60 10 31 10 3 4 3 3 1 3 4 8 8 3 3 2 2 5 6 4 2 3 3 3 2 5 8 8 1 6 11 10 11 11 26 10 7 4 4 6 5 6 5 5 6 4 5 6 4 3 10 8 2 7 3 4 10 14 7 8 1 21 5 2 4 17 14 37 17 9 12 10 36 6 4 4 9 5 3 1 2 4 3 2 36 26 4 6 2 1 2 2 2 2 2 2 2 3 2 2 2 2 1 0 57 0 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 2 2 2 2 2 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 2 2 1 1 2 2 1 1 2 2 2 1 1 2 2 1 1 2 1 2 2 2 1 1 1 2 2 1 1 1 2 1 2 2 2 2 2 2 1 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 4 6 4 3 4 3 4 3 5 15 3 15 43 32 14 14 8 3 2 3 7 21 100 14 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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; 1HNMR: 92 92 s 1H | 78 77 d 1H J 76 | 76 76 s 1H | 75 75 d 1H J 22 | 73 72 dd 1H J 21 76 | 41 40 dt 1H J 62 82 | 39 39 s 2H | 33 32 dd 1H J 64 156 | 31 30 dd 1H J 82 156 | 24 23 dp 1H J 44 60 | 18 17 m 2H | 17 16 m 2H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccccc1I
ir: 3 2 1 2 2 3 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 16 9 3 2 3 4 4 4 100 12 4 12 8 2 2 4 4 0 2 4 2 1 2 3 2 0 3 4 4 2 11 21 15 18 12 7 7 2 4 3 2 2 7 5 2 1 3 3 1 2 3 4 4 3 3 5 29 3 3 2 2 2 3 2 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 3 4 4 1 3 3 2 2 3 3 2 1 2 3 4 32 35 59 19 5 6 3 2 1 3 3 2 2 8 14 5 5 8 17 28 3 3 5 2 2 2 14 6 2 3 2 1 2 3 2 1 2 2 2 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 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 3 2 2 3 3 3 2 21 18 22 3 3 3 2 1 2 3 2 2 3 3 4 17 54 24 2 2 3 4 5 17 58 12 9 7 23 5 2 2 2 2 2 2 2 2 2 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: 85 85 t 1H J 42 | 79 78 dd 1H J 15 75 | 78 78 dd 1H J 16 77 | 74 74 td 1H J 13 75 | 73 73 td 1H J 16 74 | 43 43 d 2H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC(C(=O)c2ccccc2)C1
ir: 23 16 11 13 19 21 12 10 9 5 0 5 7 3 0 5 11 7 2 6 8 2 2 6 10 19 12 10 10 3 17 12 10 5 26 85 48 17 6 8 12 14 17 11 7 2 7 9 7 5 4 8 5 2 6 19 7 1 13 23 56 3 7 11 4 3 12 38 47 25 23 15 7 4 12 15 21 100 59 38 20 7 7 11 6 12 22 35 26 19 32 80 31 43 42 10 12 6 10 9 2 8 14 13 15 7 9 6 3 6 11 6 3 5 12 5 6 18 14 28 27 16 25 12 14 9 8 6 3 5 6 5 4 7 9 6 3 7 8 6 7 16 35 72 28 34 14 3 3 6 5 2 3 7 5 1 3 6 5 1 5 8 5 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 4 6 3 2 5 6 2 2 5 6 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 7 5 4 6 7 5 2 4 7 5 3 5 8 7 8 15 46 33 21 41 90 26 7 6 7 4 2 4 6 3 2 4 6 3 2 5 5 3 2 5 6 3 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 6 4 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 1; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 75 m 2H | 38 38 dd 2H J 50 110 | 38 37 p 1H J 50 | 36 35 dd 2H J 50 109 | 28 28 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2CNC(=O)C2)cc1C1(O)CCCC1
ir: 1 3 3 3 3 10 20 11 16 9 8 3 2 2 2 2 1 4 3 7 16 4 8 4 3 2 2 2 1 1 1 1 1 2 2 1 1 2 2 2 1 1 2 1 6 2 1 1 1 1 1 1 2 6 9 8 6 3 2 2 3 2 5 2 4 5 4 4 3 2 5 5 2 2 2 0 1 1 1 1 1 7 6 2 2 2 2 2 4 7 6 3 6 2 1 2 5 11 5 4 3 3 2 1 1 2 1 1 2 2 3 5 6 6 2 4 3 2 1 2 6 2 4 6 7 2 3 4 5 7 6 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 15 8 15 13 5 8 0 1 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 3 2 2 1 2 2 1 3 6 4 4 12 4 5 1 5 8 69 100 50 6 4 1 0 2 2 1 1 1 1 1 1 1 2 3 12 13 5 6 3 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 73 72 dd 1H J 7 20 | 71 71 ddd 1H J 7 22 78 | 69 68 d 1H J 78 | 59 59 t 1H J 36 | 38 38 s 2H | 37 36 dt 1H J 35 127 | 34 34 s 1H | 34 33 m 2H | 25 24 m 1H | 23 22 m 1H | 22 20 m 2H | 20 19 m 2H | 19 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccccc2nc1-c1cc2nc(C3CC3)cc(O)n2n1
ir: 1 4 1 1 3 8 2 1 0 1 1 1 1 0 0 1 5 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 3 2 1 3 2 3 3 28 7 2 1 1 1 2 1 1 0 1 1 5 1 0 2 3 3 1 1 3 5 10 6 2 2 4 2 9 3 1 6 2 4 2 1 1 2 4 17 11 3 2 4 1 5 7 3 2 3 1 1 1 1 1 1 1 1 1 1 2 6 2 3 1 2 1 1 0 0 0 1 1 0 1 1 1 0 1 3 1 1 1 2 1 0 5 0 1 1 1 1 1 1 2 1 4 1 1 1 3 2 2 4 11 2 4 4 2 3 1 1 1 3 9 3 1 1 1 4 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 3 5 11 9 8 5 2 3 2 3 0 100 19 4 4 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 1H J 14 83 | 79 79 dd 1H J 14 83 | 78 77 td 1H J 13 85 | 76 76 td 1H J 13 85 | 73 72 s 1H | 67 67 d 1H J 16 | 28 27 s 3H | 22 21 pd 1H J 17 60 | 13 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1ccc(OC)c2c1CC1(CCCC1)O2
ir: 7 4 1 8 3 4 23 5 10 5 6 5 7 4 4 2 2 7 1 2 3 3 0 1 1 2 1 1 1 1 2 2 4 2 1 4 2 1 1 0 1 1 2 1 2 2 1 0 1 1 2 3 3 18 100 8 5 3 3 3 2 0 4 7 6 2 4 2 1 1 1 3 10 3 2 21 1 4 1 8 18 39 18 5 2 3 1 5 2 4 2 1 1 1 1 1 20 22 8 4 5 4 3 3 6 5 6 5 1 3 2 5 8 11 8 5 5 4 5 4 2 4 12 7 4 5 2 7 15 20 25 12 10 5 9 5 1 1 1 0 1 5 48 11 9 30 95 15 26 2 1 1 13 9 1 2 1 0 5 1 0 0 0 1 1 5 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 2 1 2 1 2 2 4 6 3 5 5 4 3 4 17 30 29 22 35 17 5 5 4 1 4 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 0 0 0 0 0; 1HNMR: 76 75 d 1H J 164 | 70 69 d 1H J 88 | 68 68 d 1H J 86 | 64 63 d 1H J 163 | 42 41 q 2H J 61 | 39 38 s 3H | 31 30 s 2H | 21 20 m 2H | 20 19 m 2H | 19 17 m 4H | 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.
COc1cc(C2=C(c3cn(CCCBr)c4ccccc34)C(=O)NC2=O)c2occc2c1
ir: 4 1 0 2 5 4 1 2 3 1 0 1 2 1 0 2 3 2 3 3 2 2 1 4 3 5 20 5 2 1 0 4 9 4 2 4 2 1 1 2 5 6 4 18 17 1 28 89 36 4 2 1 2 1 2 2 1 1 1 3 1 1 1 2 4 0 4 18 4 12 5 5 5 2 2 3 1 2 1 2 4 2 2 2 1 1 2 1 1 1 2 4 3 2 2 2 1 2 2 2 3 13 8 4 2 3 4 10 2 3 2 3 11 10 4 2 1 2 5 14 1 7 5 4 1 3 4 2 1 2 3 1 2 3 9 2 1 3 21 12 2 2 3 1 1 2 2 12 2 2 3 2 12 2 4 6 5 3 2 3 13 15 100 16 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 1 2 2 2 1 2 2 1 2 2 14 5 5 8 59 17 46 7 32 3 1 2 3 1 1 2 2 1 0 1 2 1 1 1 1 1 1 2 37 52 5 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 79 78 m 1H | 78 77 d 1H J 16 | 75 75 dd 1H J 16 65 | 74 74 d 1H J 10 | 73 71 m 4H | 70 69 t 1H J 18 | 41 41 td 2H J 8 51 | 39 38 s 3H | 35 34 t 2H J 44 | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC)c(CN2CCN(C(=S)SC)CC2)c1
ir: 54 48 25 17 3 12 14 9 4 8 14 6 7 5 10 4 4 4 10 5 2 6 5 3 2 10 4 3 6 10 17 12 9 8 5 2 2 5 5 3 3 5 5 0 3 5 4 1 2 5 5 2 5 12 39 14 25 39 30 23 13 12 8 62 45 3 35 32 49 31 20 9 9 8 5 5 5 7 8 15 96 8 6 4 8 9 100 15 11 15 9 4 8 11 9 8 20 18 23 17 13 6 6 9 6 37 24 8 10 9 19 26 20 11 26 12 7 18 21 16 13 5 7 9 10 5 1 6 9 4 3 4 8 13 3 7 8 3 1 5 7 1 11 52 4 5 5 3 6 0 27 8 6 11 7 5 3 2 3 4 3 2 7 5 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 6 5 4 4 5 5 8 10 7 6 4 11 3 11 12 15 66 21 44 78 56 16 5 2 4 5 3 3 4 4 3 1 3 5 2 2 3 5 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4; 1HNMR: 69 68 d 1H J 92 | 68 68 ddd 2H J 22 33 42 | 40 39 m 4H | 38 38 d 6H J 14 | 37 37 d 2H J 8 | 27 27 m 4H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(O)c1
ir: 0 0 0 0 0 3 1 0 0 1 1 0 1 1 1 1 1 3 1 0 0 1 2 1 0 3 1 1 1 4 1 1 1 1 1 1 2 1 3 6 16 14 10 1 1 3 1 2 2 1 4 4 1 3 4 3 1 2 1 1 2 1 1 0 1 2 4 7 8 2 1 2 3 2 1 1 1 3 4 3 2 1 1 2 20 3 2 3 1 0 0 1 1 1 1 1 3 3 8 2 1 1 0 0 0 1 7 2 2 1 0 1 1 1 0 0 1 1 0 0 1 0 1 1 1 0 1 2 0 1 0 0 0 1 0 0 1 21 0 1 16 5 1 1 2 4 16 4 8 3 3 4 8 3 2 8 4 2 1 1 1 1 2 17 6 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 2 3 5 7 14 2 1 2 2 0 3 100 3 2 1 0 1 1 0 0 1 1 0 1 2 3 3 6 16 5 2 2 1 1 0 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 89 89 s 1H | 87 87 s 1H | 79 78 d 1H J 21 | 76 75 m 2H | 75 74 ddd 1H J 12 21 79 | 74 73 m 5H | 70 69 ddd 1H J 11 21 84 | 69 68 ddd 1H J 11 22 75 | 39 38 m 4H | 34 34 m 4H | 23 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(CCOC)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
ir: 5 4 8 4 4 4 4 5 2 4 3 4 3 3 3 4 5 5 5 8 4 22 11 5 5 5 5 5 4 7 3 11 6 7 19 8 20 10 8 6 31 7 31 18 12 6 38 12 2 7 4 3 3 6 29 16 6 11 6 0 5 5 11 10 3 15 7 4 14 15 9 2 3 4 2 3 4 19 16 4 7 25 6 7 27 12 11 4 18 19 4 2 7 8 5 6 7 6 1 13 27 18 13 4 5 3 4 5 67 4 8 6 3 2 3 3 4 5 3 4 3 2 2 3 3 2 2 3 3 2 2 2 3 9 4 3 7 4 5 6 4 2 2 5 27 16 4 26 11 11 43 2 64 8 17 8 4 3 3 7 8 10 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 3 3 3 3 4 3 5 10 23 17 100 42 15 6 4 4 3 2 2 3 3 3 4 4 2 2 3 3 3 3 4 7 11 9 33 45 11 4 6 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 89 s 1H | 85 84 s 1H | 79 78 dd 1H J 14 79 | 76 76 d 1H J 82 | 75 74 dd 1H J 14 81 | 74 73 d 1H J 81 | 73 72 td 1H J 13 74 | 71 70 ddd 1H J 15 73 84 | 36 35 t 4H J 70 | 34 33 t 5H J 70 | 33 33 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]1C=C[C@](CC(=O)O)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
ir: 3 5 7 4 4 2 5 4 5 4 3 9 6 9 3 6 8 8 12 16 20 23 14 8 7 8 6 12 7 17 14 14 25 19 24 23 10 22 6 21 32 6 3 1 2 2 1 3 4 11 3 2 4 4 3 6 3 8 1 0 2 3 2 2 2 4 1 1 7 2 3 4 5 2 2 3 3 13 28 15 4 5 7 4 3 9 8 5 22 8 6 1 3 2 2 5 15 15 6 17 6 8 8 4 2 3 4 2 3 3 5 9 9 16 7 11 8 12 10 10 7 8 5 6 4 9 14 8 5 5 8 7 12 5 3 3 3 14 4 9 3 3 10 17 20 100 22 18 16 20 6 4 2 1 14 6 1 0 1 1 7 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 3 2 2 2 2 4 4 2 2 3 3 3 5 10 7 17 21 11 4 2 1 1 1 1 2 35 59 10 1 2 2 1 1 1 1 1 1 2 2 3 19 15 4 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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; 1HNMR: 85 84 p 1H J 12 | 81 81 dh 1H J 9 19 | 63 63 ddt 1H J 9 18 93 | 61 60 ddt 1H J 9 53 93 | 57 56 d 1H J 77 | 47 46 dd 1H J 8 147 | 45 44 m 2H | 38 38 dt 1H J 40 137 | 38 37 m 1H | 29 29 t 2H J 41 | 28 27 dd 1H J 9 165 | 25 25 dd 1H J 8 166 | 24 23 ddt 1H J 8 38 124 | 22 21 ddt 1H J 8 59 125 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(C(=O)NCCOC)cc3C2)cc1
ir: 3 2 3 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 4 3 2 3 4 2 2 2 3 16 6 2 3 2 2 6 4 5 9 33 47 49 17 5 3 4 3 1 3 2 2 0 1 3 3 2 13 12 3 2 7 2 1 1 1 3 1 4 3 2 2 1 1 1 1 0 1 2 2 1 1 1 0 1 1 2 0 1 1 5 1 3 4 2 1 2 2 1 0 0 1 1 1 2 7 2 0 1 1 1 1 1 3 5 1 2 1 1 2 3 3 7 8 2 6 3 3 2 2 1 4 1 1 1 1 1 1 1 2 1 11 5 10 16 100 14 45 7 3 1 2 19 8 39 11 2 1 1 1 1 1 0 1 1 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 1 2 1 4 6 19 20 17 4 1 3 2 1 1 1 1 1 0 1 1 2 1 1 1 2 2 1 4 5 8 16 15 17 5 3 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H | 79 78 m 3H | 78 77 dd 1H J 19 85 | 75 74 m 2H | 73 73 m 2H | 72 72 dt 1H J 8 86 | 48 48 d 2H J 7 | 48 48 d 2H J 8 | 36 35 pq 4H J 18 35 | 34 34 s 2H | 31 31 q 2H J 53 | 15 14 qt 2H J 53 72 | 9 8 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)CC(CO)C2C)cc1
ir: 3 6 9 3 3 6 9 4 15 4 11 7 4 7 15 12 12 15 13 4 5 15 48 61 33 15 21 8 4 10 5 2 2 5 4 11 12 7 5 5 4 7 4 0 2 11 6 10 33 19 20 23 11 6 31 61 71 13 7 10 18 24 12 22 7 8 10 8 13 22 17 7 5 10 6 8 13 12 4 11 17 9 8 19 24 25 14 40 89 66 44 65 22 58 21 15 31 52 59 18 13 4 5 4 4 5 27 15 5 5 1 2 6 8 0 7 17 16 53 42 14 11 10 11 16 36 7 8 6 6 7 16 20 13 18 10 6 1 2 3 4 3 2 6 6 4 10 14 72 96 41 11 27 11 6 7 2 2 1 2 3 4 8 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 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 4 2 6 4 3 3 5 7 8 8 8 6 6 15 9 4 14 32 29 61 100 52 9 12 9 11 16 42 88 8 0 3 5 3 1 2 2 1 1 1 1 2 1 2 2 1 1 1 1 2 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 72 72 dt 2H J 9 86 | 68 68 m 2H | 49 49 dt 1H J 9 125 | 45 44 dt 1H J 9 126 | 39 38 m 1H | 38 38 s 3H | 38 37 q 1H J 54 | 36 35 dt 1H J 53 115 | 26 25 dd 1H J 59 147 | 24 23 dd 1H J 60 148 | 23 22 m 1H | 22 21 t 1H J 56 | 12 12 dd 3H J 15 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(C(=O)O)c(C(=O)OC(C)(C)C)nc2-c2ccc(Cl)cc2)cc1
ir: 1 2 3 5 2 1 2 2 3 4 7 18 13 15 14 19 38 12 15 68 65 82 14 8 7 5 5 2 2 1 1 1 1 1 3 2 2 1 1 1 1 3 2 1 2 0 1 1 1 1 1 2 1 7 28 32 25 4 1 4 2 8 1 1 1 1 2 1 7 3 2 2 3 8 8 17 21 11 15 15 5 19 6 13 11 46 10 15 1 1 3 1 1 1 1 1 2 8 17 6 3 9 9 16 9 1 0 2 2 3 3 1 1 8 11 3 2 2 4 5 2 6 21 10 27 16 6 23 6 4 3 7 1 1 1 1 1 3 8 29 6 3 4 10 23 9 11 19 20 11 6 2 4 3 2 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 2 3 1 1 1 0 1 1 1 1 2 2 2 1 13 10 27 24 8 3 4 4 5 3 2 3 9 100 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 5H | 75 74 m 2H | 74 73 m 2H | 24 23 d 3H J 9 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)CC1
ir: 8 2 1 4 8 1 6 5 3 2 2 1 2 15 1 2 2 1 2 2 2 1 1 5 3 7 3 4 13 19 43 31 30 6 66 15 5 8 4 4 21 12 5 3 2 4 6 0 24 84 13 6 11 10 3 7 2 1 7 20 12 2 8 61 5 24 15 23 23 39 7 4 12 2 4 6 11 3 10 49 13 8 3 12 53 13 52 3 5 3 1 1 3 2 1 3 9 10 2 8 7 7 2 5 6 6 9 6 10 18 14 6 4 3 3 5 4 6 14 23 6 5 8 12 6 13 30 21 15 38 28 28 25 42 8 6 6 3 3 6 9 63 16 11 11 37 100 66 20 7 4 11 4 3 11 10 2 1 1 2 6 32 2 3 0 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 4 2 1 2 7 2 3 2 4 3 5 4 5 10 25 6 13 31 14 10 4 2 2 4 2 2 3 4 5 12 22 20 66 14 10 7 17 11 17 68 45 11 21 10 11 4 3 3 2 1 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 87 87 dd 1H J 21 41 | 84 84 dd 1H J 21 76 | 76 76 dd 1H J 41 76 | 74 74 s 1H | 64 64 d 1H J 79 | 43 42 m 1H | 38 37 dp 1H J 41 82 | 37 36 ddd 2H J 58 85 126 | 35 34 ddd 2H J 58 85 126 | 26 26 d 2H J 59 | 20 19 m 5H | 16 15 dddd 2H J 41 58 84 127 | 15 15 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(Br)c3)n2)cc1
ir: 1 1 1 1 1 1 2 3 3 3 3 3 1 1 1 2 1 1 2 1 2 2 4 1 0 1 0 0 1 1 35 5 1 1 1 1 3 7 74 7 1 1 1 1 5 1 2 5 1 0 0 1 1 3 2 49 8 2 4 1 1 1 1 2 8 31 37 5 6 3 0 0 1 3 0 0 1 1 1 2 1 2 1 2 1 1 2 1 4 10 0 0 1 1 0 0 2 9 15 16 11 1 0 1 0 0 0 0 0 1 1 2 40 1 1 1 3 4 5 3 5 40 5 13 1 1 4 1 1 1 0 1 2 5 1 1 1 0 1 79 9 4 4 64 7 100 8 2 6 13 6 1 2 1 1 2 2 3 14 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 3 12 69 26 27 5 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 78 78 m 2H | 77 76 m 3H | 76 75 m 1H | 74 74 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
ir: 10 9 4 3 4 2 2 2 4 3 2 3 2 2 5 9 2 10 8 3 2 2 2 1 2 2 1 4 2 1 1 1 2 4 3 1 2 1 2 3 3 5 3 2 1 1 1 2 2 1 2 4 5 17 70 41 3 8 9 0 2 2 1 3 3 1 3 2 6 5 2 1 4 2 2 1 3 3 2 2 3 2 3 3 7 67 82 10 9 9 6 4 2 3 1 5 3 4 10 11 11 3 1 1 1 1 2 2 1 2 4 6 45 8 1 1 4 5 2 3 2 3 2 12 11 6 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 9 12 5 4 2 2 2 2 8 6 1 2 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 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 2 1 1 1 1 1 1 2 2 2 1 3 3 2 2 3 2 3 3 3 6 7 10 49 56 23 4 3 4 2 1 5 100 26 9 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 77 m 2H | 77 76 dq 2H J 14 110 | 76 75 m 2H | 73 72 dq 2H J 9 86 | 38 37 qddt 1H J 15 46 57 74 | 29 29 ddt 1H J 9 74 138 | 28 27 ddt 1H J 8 73 137 | 26 25 d 1H J 60 | 17 16 dqd 1H J 58 73 130 | 15 13 dqd 1H J 58 73 130 | 10 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccnc1SCc1ccccc1
ir: 38 42 64 82 19 15 9 37 30 26 14 9 6 19 19 5 8 12 4 5 3 4 3 3 4 3 4 4 7 10 6 7 7 7 5 4 51 48 16 13 22 17 17 5 10 15 13 13 7 5 5 6 5 4 4 4 4 4 4 5 6 40 100 32 6 2 4 6 8 8 5 5 3 4 4 6 3 7 16 20 6 4 4 5 10 10 10 37 41 37 32 57 16 10 8 6 33 53 17 8 2 3 6 4 3 4 7 10 32 6 10 7 9 6 5 4 3 4 5 4 4 7 5 9 55 18 12 4 3 5 4 4 3 4 31 15 4 16 20 14 1 10 39 30 24 8 8 5 3 5 7 6 27 21 33 23 17 1 4 4 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 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 3 3 3 4 3 3 3 4 3 2 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 6 5 6 4 5 4 3 7 19 24 18 53 56 72 34 13 10 4 0 45 32 14 10 4 3 4 4 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 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 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; 1HNMR: 82 81 m 2H | 74 74 dq 2H J 10 73 | 74 73 m 2H | 73 72 ddt 1H J 13 64 79 | 70 70 dd 1H J 37 79 | 69 69 dd 1H J 20 79 | 42 42 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(S)CO1
ir: 2 4 6 5 4 4 7 6 4 12 41 26 5 5 4 5 3 5 10 4 4 5 5 4 3 5 6 3 4 4 4 4 3 5 4 5 5 5 6 4 5 5 12 39 24 48 29 7 5 7 5 4 8 13 11 7 5 9 10 5 7 4 9 6 6 12 10 29 16 4 5 8 6 5 3 3 4 4 3 3 4 3 3 3 4 5 4 5 7 6 4 3 4 4 6 12 9 15 21 22 20 12 9 8 14 20 9 7 3 5 6 9 11 28 41 42 55 13 5 12 16 9 7 18 10 13 30 4 4 4 3 4 3 4 4 3 3 4 5 2 3 9 11 3 99 25 3 10 8 0 2 7 5 3 4 6 4 1 3 6 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 4 2 3 5 3 2 3 5 4 2 4 6 5 3 6 7 6 4 9 8 10 14 5 5 5 7 4 4 4 6 9 84 36 100 29 8 4 3 6 5 3 4 6 5 5 8 9 7 7 8 8 5 2 5 14 6 14 17 7 7 9 27 12 24 9 18 11 21 4 4 5 3 2 4 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 46 46 dd 1H J 28 97 | 44 43 dd 1H J 26 98 | 34 34 dtt 1H J 27 53 62 | 28 27 dd 1H J 53 149 | 25 25 dd 1H J 53 148 | 21 20 d 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(F)(F)c1ccc(-c2ccc(OC)cc2)cc1
ir: 2 2 1 2 3 2 0 1 2 2 2 2 2 1 2 2 3 4 5 2 1 1 2 0 0 0 0 0 0 0 1 0 2 1 1 3 4 1 1 1 0 1 1 1 1 0 1 1 1 2 1 5 5 100 27 15 7 4 2 1 1 1 1 1 2 2 1 1 2 5 4 1 2 1 2 1 1 1 1 0 3 8 9 2 1 1 1 4 1 2 1 0 1 1 1 1 2 2 4 7 2 0 1 0 1 1 1 1 4 3 6 5 1 1 2 2 1 2 3 2 2 1 1 2 3 2 1 3 1 1 1 1 0 1 0 0 0 1 1 0 0 1 2 1 23 37 5 3 1 3 3 3 2 1 2 1 1 0 1 0 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 2 5 4 2 21 33 14 8 3 2 3 3 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 t 4H J 10 | 76 75 m 2H | 70 69 m 2H | 44 43 q 2H J 61 | 38 38 s 2H | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OCC2COc3cccc4nc(C)n2c34)cc1
ir: 7 4 9 13 10 12 5 6 68 30 51 55 47 10 6 5 7 7 7 10 4 1 1 6 30 6 0 4 5 9 4 23 28 28 3 4 3 4 2 3 4 3 5 5 19 33 30 37 47 11 3 7 23 49 9 4 13 7 3 3 2 9 7 12 51 83 29 19 53 34 10 5 9 20 12 20 43 6 11 4 17 54 18 10 40 16 6 8 40 4 4 6 3 98 32 8 4 4 4 2 6 4 10 12 11 5 4 2 3 2 2 3 1 4 5 5 15 24 6 20 8 11 15 27 30 38 14 8 2 2 4 1 3 5 21 15 1 18 45 6 2 3 3 32 42 6 56 38 7 3 4 2 3 3 2 1 1 30 27 40 31 3 2 2 1 1 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 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 1 2 2 2 6 7 3 1 7 5 5 4 4 9 8 12 11 17 17 18 83 85 100 43 11 6 5 3 2 2 3 5 3 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 2H | 76 76 dd 1H J 12 69 | 75 74 m 2H | 74 73 dd 1H J 70 77 | 69 69 dd 1H J 11 77 | 46 45 tt 1H J 33 42 | 45 45 dd 1H J 42 114 | 44 43 dd 1H J 33 104 | 43 42 dd 1H J 42 114 | 41 41 dd 1H J 33 104 | 24 24 s 2H | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cccnc21
ir: 6 3 3 5 12 8 13 24 14 9 5 5 5 3 2 4 4 2 1 4 4 4 2 3 3 1 1 4 7 6 9 20 28 4 6 4 22 18 24 31 25 5 3 4 3 1 2 4 2 0 1 3 2 0 2 4 2 1 3 7 5 8 17 9 8 2 2 4 3 3 5 3 3 4 9 13 3 4 8 14 8 13 16 17 10 6 3 4 4 2 5 8 4 2 3 3 6 8 8 3 2 4 15 10 8 13 10 10 3 5 8 8 4 4 6 4 6 3 4 4 3 4 4 3 5 12 15 6 4 8 19 10 12 12 12 49 100 48 10 3 11 9 10 1 4 18 61 14 12 9 7 2 4 15 14 44 18 4 4 2 2 3 2 1 2 5 5 2 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 5 3 3 2 2 3 3 4 3 4 3 6 5 12 19 18 20 39 44 3 16 22 16 4 3 5 2 1 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 86 86 dd 1H J 16 35 | 83 82 dt 1H J 16 71 | 79 79 d 1H J 157 | 76 75 d 1H J 57 | 74 74 dd 1H J 35 69 | 63 63 m 2H | 42 41 q 2H J 61 | 40 40 s 3H | 24 24 s 3H | 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.
O=C(O)c1nc(OCC(F)(F)F)cnc1Nc1cncnc1
ir: 4 4 4 4 3 3 4 5 5 5 7 4 3 8 47 42 16 29 12 11 4 9 10 9 16 13 89 12 11 11 17 9 15 18 71 57 100 27 8 12 14 4 6 40 37 7 8 7 5 2 4 6 4 1 4 9 4 0 6 4 3 1 3 5 13 2 4 5 11 4 4 5 4 3 4 5 3 4 6 26 28 22 15 7 3 5 7 5 3 6 6 9 7 5 5 12 14 14 5 5 3 12 5 8 3 5 5 15 4 4 6 41 28 12 27 43 4 8 5 5 10 10 6 4 4 8 7 4 6 5 6 3 35 4 5 4 3 15 45 6 4 3 4 3 4 41 4 5 10 5 4 1 34 29 14 12 39 29 23 3 4 4 3 3 16 5 3 2 3 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 5 3 2 2 4 3 2 3 6 5 3 3 4 2 1 3 4 2 1 3 7 4 22 15 2 3 4 3 3 3 4 3 4 3 20 20 38 38 20 8 5 7 3 3 3 3 2 3 3 3 3 3 3 3 3 3 2 2 2 3 3 2 3 3 2 2 3 3 3 2 3 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 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 97 97 s 1H | 89 89 d 2H J 17 | 89 88 t 1H J 17 | 76 76 s 1H | 50 49 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(O)c(C)c1
ir: 4 5 18 7 1 5 0 1 2 1 1 2 2 1 1 2 2 2 3 19 4 2 1 2 1 0 0 1 1 1 1 1 1 4 3 2 2 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 2 3 14 4 1 1 1 1 1 1 1 3 1 1 2 3 2 2 2 1 4 3 2 1 3 10 100 15 4 2 5 8 1 1 1 1 0 1 2 2 3 8 8 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 2 9 0 4 25 9 11 3 0 1 1 1 2 4 2 2 2 2 4 1 1 1 2 1 1 1 1 1 1 4 23 10 4 23 2 1 1 3 4 15 21 2 1 1 1 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 4 6 13 34 11 2 3 1 1 1 2 58 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 78 77 m 2H | 71 70 s 1H | 68 68 d 1H J 88 | 44 44 q 2H J 64 | 22 22 s 3H | 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.
Cn1nc(C(C)(C)C)cc1Nc1cccnc1C#N
ir: 2 3 1 8 6 8 8 18 36 20 3 5 2 1 2 5 8 43 59 55 28 14 17 12 26 47 16 1 2 7 9 5 2 6 7 1 1 1 1 4 6 11 12 2 5 15 3 1 1 1 2 30 2 1 1 1 1 2 2 2 1 4 4 3 9 7 2 1 2 1 2 8 17 19 9 5 2 2 1 1 2 3 2 2 1 18 18 5 4 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 4 5 4 2 5 17 11 16 1 1 3 2 1 8 17 27 14 4 1 2 9 29 20 20 12 22 18 6 2 2 17 12 7 5 86 6 6 10 1 2 1 1 0 2 3 4 1 5 23 2 8 5 2 0 1 3 2 88 9 0 1 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 2 0 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 0 1 1 2 2 2 3 4 9 9 9 8 18 23 23 19 3 2 2 2 1 1 1 1 1 1 2 2 2 1 3 3 2 8 10 39 100 30 15 14 4 2 2 3 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 83 dd 1H J 20 40 | 79 79 s 1H | 77 76 dd 1H J 22 77 | 73 73 dd 1H J 39 76 | 54 54 s 1H | 38 38 s 3H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C(=O)NN=C2CSc3ccc(N)cc3N21
ir: 12 12 8 10 13 7 8 4 3 3 4 9 9 4 9 21 49 5 7 16 10 4 9 13 5 4 6 4 8 25 3 7 30 26 23 15 4 1 1 21 13 2 2 4 7 2 1 3 2 1 2 3 3 7 11 3 5 3 2 4 1 4 4 2 2 1 3 3 8 4 4 11 2 0 7 9 1 2 5 12 12 8 3 3 1 5 6 10 23 13 2 7 7 2 2 1 1 1 2 2 11 2 2 7 6 5 3 1 2 4 3 2 1 4 6 4 1 12 16 9 6 3 3 2 4 6 4 5 6 19 27 41 11 2 2 5 6 5 3 1 1 3 2 3 3 2 2 1 15 7 23 30 6 29 43 39 80 59 56 19 5 0 2 5 8 64 13 3 2 3 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 3 3 2 1 2 3 3 3 4 6 27 4 6 5 17 1 3 4 2 1 1 2 1 1 1 2 2 1 2 4 3 58 100 9 2 3 14 29 41 39 6 7 4 75 27 5 1 1 1 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 91 91 s 1H | 71 71 d 1H J 80 | 65 65 m 2H | 47 47 s 2H | 43 42 q 1H J 62 | 39 38 m 2H | 14 14 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C[C@]1(c2ccccc2)CCN([C@H]2CCNC2)C(=O)O1
ir: 11 6 7 8 6 6 5 5 12 17 3 8 11 6 4 17 41 4 7 9 4 4 2 8 6 3 2 4 4 3 6 12 13 12 15 10 5 4 7 6 10 15 40 9 9 4 4 6 7 1 3 5 6 8 4 6 5 3 5 22 8 17 6 12 8 8 18 15 13 9 6 11 6 2 6 7 6 12 50 28 7 5 9 7 1 3 5 5 2 2 5 9 5 14 8 7 3 5 7 14 8 6 12 7 8 6 31 33 9 16 15 24 14 15 68 27 11 14 19 9 10 5 30 54 49 18 13 7 12 9 28 11 1 5 8 8 3 14 8 10 8 8 7 4 12 8 8 2 4 6 85 4 3 11 3 1 2 3 3 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 4 2 3 4 5 2 4 9 10 5 5 6 6 3 6 10 22 17 15 33 38 16 7 8 6 8 14 100 11 6 4 6 2 3 4 6 5 6 29 67 49 8 9 6 3 4 4 4 1 1 3 3 1 1 4 3 1 1 3 2 1 1 3 2 0 2 3 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 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 74 73 m 4H | 71 70 tt 1H J 15 64 | 40 40 dtt 1H J 20 39 59 | 38 38 s 1H | 36 35 ddd 1H J 38 66 125 | 34 33 tdt 2H J 32 64 76 | 31 30 m 2H | 29 28 m 1H | 24 23 m 2H | 22 21 m 2H | 21 20 dtd 1H J 23 40 126 | 19 18 p 1H J 34 | 18 18 dddd 1H J 24 43 60 127 | 14 13 s 2H | 13 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(C3CCCCC3)c(C3CC3)n(CC(=O)N(C)C)c2c1
ir: 15 9 6 4 2 14 9 31 8 5 6 7 5 3 9 14 18 5 8 7 3 4 4 40 6 3 3 10 8 3 4 7 9 8 7 8 7 5 13 3 5 6 12 6 5 1 1 3 3 2 3 4 4 11 22 11 13 2 2 10 6 3 3 3 2 4 6 14 5 5 4 3 4 1 1 2 1 0 1 2 1 9 5 3 9 3 3 24 6 2 3 2 5 2 2 3 6 3 4 7 5 3 3 2 1 3 6 4 4 6 18 13 28 10 8 11 28 17 2 5 7 16 10 9 12 17 10 5 13 19 6 6 10 4 31 10 5 3 3 4 4 2 9 28 77 11 5 86 33 11 10 8 11 13 23 6 2 2 1 1 0 1 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 1 2 1 5 4 5 7 3 3 6 15 12 11 15 10 38 100 17 5 7 5 6 4 5 2 2 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 22 77 | 78 78 d 1H J 77 | 78 77 d 1H J 20 | 49 49 s 2H | 39 39 s 2H | 34 33 p 1H J 54 | 29 29 s 5H | 24 23 p 1H J 56 | 20 19 m 2H | 17 14 m 9H | 13 12 m 2H | 11 10 tdd 2H J 8 55 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CN)CC1
ir: 6 4 4 1 4 2 0 2 3 4 5 2 2 2 1 2 3 0 1 1 2 1 1 2 2 4 27 19 9 3 5 4 2 3 1 1 2 2 3 1 3 2 1 3 3 2 2 5 6 2 3 2 2 3 2 4 3 4 4 4 6 4 8 4 6 5 8 7 8 17 9 7 8 11 7 4 2 1 4 4 4 4 3 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 1 2 2 4 3 2 1 2 1 2 2 3 2 2 4 2 2 3 3 6 4 6 11 7 9 4 6 4 3 16 5 16 17 20 26 26 11 6 9 2 0 5 5 3 6 23 11 9 4 43 20 3 3 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 2 2 2 3 2 3 1 1 1 1 5 4 2 7 4 1 1 1 1 1 1 1 1 1 1 2 2 3 8 7 12 10 13 9 3 7 7 15 31 100 17 14 10 4 3 1 1 1 1 0 1 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 48 47 t 1H J 60 | 33 32 dt 1H J 58 128 | 31 30 dt 1H J 57 128 | 27 26 dtd 1H J 51 63 115 | 26 25 dtd 1H J 51 62 115 | 16 15 m 6H | 15 14 m 1H | 14 14 s 7H | 14 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC[C@H](Nc2c(C(N)=O)cnn3cc(Br)cc23)C1
ir: 6 1 4 3 1 30 19 6 8 5 13 32 15 39 18 6 7 5 29 33 38 6 3 1 2 1 4 2 2 3 6 2 4 3 2 4 1 4 3 3 4 2 1 1 4 4 3 6 5 6 20 11 47 46 26 12 10 18 4 12 7 2 3 6 19 20 11 3 16 1 3 2 3 6 5 10 7 3 4 3 4 2 1 1 1 1 1 1 1 2 2 3 9 6 13 1 1 1 1 5 10 3 1 4 2 1 1 5 7 9 9 16 4 7 3 2 4 9 4 8 27 11 19 7 4 2 6 6 16 11 17 6 5 4 5 83 13 6 4 4 8 7 0 4 2 2 5 5 0 1 7 52 7 1 2 7 6 44 9 16 99 6 8 1 1 1 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 2 1 1 1 3 1 2 2 1 2 2 4 2 20 7 4 3 2 11 8 36 7 1 1 1 1 2 1 1 1 2 2 2 6 35 6 6 5 5 11 12 19 27 4 12 2 18 100 3 4 1 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 84 84 d 1H J 82 | 78 77 d 1H J 16 | 74 74 s 2H | 69 69 d 1H J 16 | 40 39 m 1H | 39 38 dd 1H J 22 121 | 36 35 dd 1H J 49 121 | 35 34 ddd 1H J 35 60 123 | 33 32 ddd 1H J 35 62 122 | 21 20 dddd 1H J 38 65 90 132 | 19 17 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCC(O)c1cc2ccccc2n1C
ir: 3 3 3 6 1 2 2 2 6 4 4 2 2 2 2 1 1 2 6 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 13 23 2 5 12 15 15 8 37 20 10 4 4 2 1 2 2 7 11 1 3 2 2 2 2 2 3 3 2 2 2 3 2 9 2 3 3 7 7 8 5 2 1 7 4 6 13 11 4 6 3 1 2 1 2 4 1 1 1 2 2 3 4 3 3 5 3 2 2 2 2 7 21 14 4 1 3 3 5 2 2 2 1 2 2 2 6 3 1 1 2 2 7 5 2 2 3 1 11 2 2 2 7 2 1 1 1 2 1 1 1 1 6 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 2 4 2 1 1 1 2 1 2 2 3 3 4 15 29 6 5 4 3 1 6 97 11 4 2 1 1 1 2 2 0 0 100 15 4 3 1 2 2 2 1 1 2 3 3 3 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 1H | 74 73 dd 1H J 15 82 | 73 73 m 1H | 72 71 td 1H J 15 68 | 66 66 m 1H | 50 49 m 1H | 43 43 d 1H J 44 | 43 42 m 1H | 37 37 s 2H | 32 31 ddd 1H J 38 54 125 | 29 29 ddd 1H J 38 54 125 | 25 24 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(C(=O)OCC)C(c2ccccc2Cl)C(C(=O)OCC)=C(C)N1
ir: 10 7 10 9 1 12 51 25 17 10 13 51 11 21 6 9 10 6 13 41 38 11 4 9 13 39 15 4 3 2 11 3 3 2 1 6 5 2 8 5 9 19 29 11 10 9 5 3 3 1 2 3 3 7 7 4 1 2 2 2 2 5 2 4 1 2 2 5 2 15 6 7 13 6 5 5 4 5 5 3 61 6 4 3 3 2 4 31 6 2 2 4 2 1 2 3 1 4 14 4 2 2 3 3 5 33 25 37 70 37 18 10 10 10 23 6 2 6 7 3 3 3 6 3 4 3 2 6 7 5 5 5 3 2 4 3 35 9 3 11 11 96 3 4 100 97 6 7 22 4 2 1 1 2 4 15 68 26 26 3 25 2 2 2 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 2 1 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 3 4 5 3 2 2 1 4 3 0 3 3 4 4 3 6 13 9 12 11 27 6 3 2 2 1 2 1 1 1 2 1 1 2 1 3 3 5 6 7 6 18 8 46 59 89 57 25 6 1 2 3 1 1 1 1 2 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 td 1H J 13 77 | 75 75 dd 1H J 14 79 | 74 74 ddd 1H J 6 14 76 | 73 72 td 1H J 13 78 | 72 72 s 1H | 49 48 p 1H J 10 | 42 41 dq 4H J 71 199 | 41 40 q 2H J 71 | 23 23 d 3H J 11 | 12 12 t 6H J 71 | 8 7 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2cc(NC(=O)c3cccs3)ccc2C)cc1
ir: 3 4 4 6 5 6 6 4 7 9 4 14 28 4 6 5 5 19 7 13 8 5 6 3 2 3 3 2 3 6 3 2 2 8 9 3 7 41 86 74 16 3 3 8 7 0 14 21 5 2 3 4 11 4 44 16 35 3 5 4 3 2 3 4 2 1 3 11 8 5 6 6 4 8 7 4 2 3 10 4 6 2 3 3 1 2 3 4 2 3 4 4 5 5 5 2 3 6 3 3 7 20 33 5 2 2 4 12 3 2 4 4 9 13 8 6 11 14 6 5 2 4 4 3 4 21 8 6 3 13 7 4 2 3 3 2 2 3 3 3 6 18 23 78 32 6 11 10 22 14 29 26 7 12 4 9 2 6 3 0 2 26 7 3 5 2 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 2 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 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 2 2 2 1 2 3 3 2 3 4 3 1 2 3 2 1 2 4 3 2 5 8 6 4 27 100 30 23 22 8 4 5 3 3 3 2 3 3 2 2 4 4 2 2 3 3 3 2 10 36 83 20 7 3 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 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 2 2 2 1; 1HNMR: 86 85 s 1H | 81 81 dd 1H J 17 54 | 81 80 m 2H | 79 78 dd 1H J 22 79 | 77 76 m 2H | 76 75 m 2H | 73 72 dq 1H J 11 78 | 72 71 dd 1H J 53 64 | 44 44 q 2H J 64 | 25 24 d 3H J 10 | 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.
CCCn1c(=O)c2[nH]c(C34CCC(O[C@H](C)C(=O)O)(CC3)CC4)nc2n(CCC)c1=O
ir: 19 2 5 7 3 2 3 3 2 3 1 2 2 3 3 2 2 4 4 1 0 1 2 6 2 1 1 2 1 1 1 1 1 9 2 1 1 2 2 1 4 3 4 13 16 9 4 1 2 3 1 1 1 2 3 2 6 7 1 1 1 3 2 2 2 2 2 9 3 1 1 1 3 4 3 3 4 3 6 13 2 5 1 2 9 27 28 8 3 2 3 2 5 2 7 21 2 9 10 4 4 5 3 3 10 5 5 9 17 20 5 12 16 12 11 32 24 9 7 27 100 26 12 14 5 9 14 11 10 6 3 3 3 2 2 1 2 2 4 2 1 1 2 2 3 16 5 5 4 1 4 39 1 2 1 0 1 1 1 1 1 1 1 0 1 1 2 0 0 1 1 0 0 0 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 9 5 7 7 11 11 15 4 6 3 16 14 9 61 80 22 14 5 3 2 4 4 3 2 7 43 74 17 13 56 8 5 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 43 42 q 1H J 65 | 41 41 t 2H J 73 | 39 39 t 2H J 70 | 21 19 m 9H | 18 16 m 7H | 14 13 d 3H J 66 | 11 10 t 3H J 77 | 10 9 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1Nc1cc(C)nc(-c2ccccn2)n1
ir: 0 2 1 6 3 10 7 7 3 3 9 6 5 3 4 5 3 5 3 2 1 6 9 2 4 5 14 11 6 12 9 4 5 6 9 17 29 64 100 30 19 42 77 58 30 4 5 6 2 1 4 5 9 48 14 6 3 2 2 2 5 7 11 19 12 18 18 24 17 7 39 17 12 21 5 2 3 4 7 1 3 17 5 3 4 3 1 1 1 1 1 1 2 4 11 2 2 6 5 7 10 5 12 5 8 7 11 3 2 2 12 13 1 1 2 1 2 3 13 9 6 4 3 6 22 12 10 4 8 5 2 1 1 2 6 31 12 33 9 3 4 1 2 12 17 17 8 11 48 59 23 100 12 15 13 7 15 23 34 20 51 34 10 4 2 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 0 1 1 1 1 1 0 1 1 1 3 4 3 1 2 3 4 7 0 32 100 37 14 3 9 6 4 1 1 1 1 1 0 1 1 1 1 2 10 6 7 3 2 2 5 30 74 70 27 12 7 3 2 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 dd 1H J 16 40 | 85 84 dd 1H J 14 92 | 81 81 s 1H | 78 78 ddd 1H J 17 71 91 | 75 75 dd 1H J 14 77 | 73 73 ddd 1H J 13 40 71 | 72 71 td 1H J 13 79 | 71 70 td 1H J 13 80 | 70 69 dd 1H J 13 82 | 64 64 s 1H | 39 39 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.
N#Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1
ir: 3 3 2 1 1 1 2 2 3 1 6 2 1 2 2 1 9 2 1 1 1 1 3 2 1 1 2 2 3 11 20 3 3 2 2 8 6 2 1 1 1 1 1 1 1 2 2 1 2 2 4 9 2 1 1 2 3 1 1 2 2 2 7 2 3 1 7 35 14 20 3 1 9 25 3 2 2 2 1 5 1 1 1 1 1 2 11 4 2 2 2 2 2 2 6 11 7 8 10 23 3 4 4 1 1 1 3 4 3 9 5 3 0 14 7 3 6 3 7 24 5 4 3 2 3 2 2 2 7 11 4 2 2 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 16 1 2 3 12 4 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 2 2 0 2 3 4 5 7 100 18 7 2 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 t 1H J 21 | 73 73 t 1H J 22 | 71 71 t 1H J 22 | 39 38 m 4H | 34 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@@]2(O)CCCC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1
ir: 12 7 8 12 9 10 15 9 18 22 21 22 26 11 12 8 7 5 8 8 5 3 4 4 14 2 0 2 2 2 2 4 2 2 2 4 2 1 2 3 5 6 7 5 15 12 10 11 5 1 2 6 13 25 18 17 4 3 4 3 3 4 6 7 8 29 11 4 2 3 5 3 5 7 9 7 4 4 3 5 9 66 9 8 33 20 7 4 31 10 3 11 11 34 100 8 2 2 5 6 1 1 4 2 1 3 4 3 0 4 5 7 4 2 1 7 3 5 9 7 1 2 6 6 3 6 6 3 3 4 3 2 2 2 3 1 1 2 2 1 1 2 2 0 1 2 5 7 15 8 22 8 4 8 5 2 1 2 1 0 4 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 2 2 1 2 3 3 1 3 3 2 3 3 7 10 6 14 79 20 9 4 2 3 7 40 100 7 1 2 2 1 0 1 2 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 77 77 m 2H | 75 74 dq 2H J 7 76 | 73 73 m 2H | 69 68 m 2H | 47 47 dd 1H J 43 73 | 38 38 s 2H | 33 33 s 1H | 24 24 d 3H J 10 | 23 22 ddd 1H J 55 82 140 | 21 20 m 2H | 19 17 m 3H | 17 16 ddddd 1H J 47 60 72 84 131 | 16 15 ddddd 1H J 46 55 71 83 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(Cc1nc2ccccc2n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCCc2cccnc21
ir: 3 6 3 12 10 5 2 16 21 4 3 7 6 2 0 5 3 8 5 7 6 2 3 9 15 3 11 8 2 1 1 4 5 5 15 40 4 2 4 24 26 18 63 20 2 4 4 2 5 4 8 10 8 8 7 9 7 1 4 3 11 10 13 4 3 4 14 7 1 4 21 4 6 20 20 14 3 12 5 10 21 46 18 15 34 10 7 13 26 16 17 36 11 11 10 9 5 3 7 17 15 5 12 5 5 10 7 13 8 6 6 6 9 6 5 15 4 5 4 7 4 5 3 5 6 8 10 5 8 8 15 4 12 22 26 10 3 16 10 15 14 10 4 1 6 7 34 34 6 0 18 4 2 4 3 14 6 4 3 0 2 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 3 2 3 3 5 5 8 2 4 7 13 5 7 22 25 8 13 83 100 25 5 6 2 1 2 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 85 84 dd 1H J 20 48 | 76 75 m 1H | 75 74 m 2H | 73 72 m 3H | 43 42 dd 1H J 40 68 | 42 41 m 1H | 40 39 m 2H | 39 38 d 1H J 139 | 29 25 m 9H | 21 19 m 2H | 19 18 dddd 3H J 23 40 77 136 | 18 18 m 1H | 18 17 m 1H | 16 15 m 4H | 11 10 dd 6H J 64 119 | 10 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nccc(CCC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3CC(=O)O)c2c1
ir: 1 1 2 2 3 3 2 3 2 5 5 6 4 4 3 3 2 3 4 7 14 37 12 6 6 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 1 1 1 2 1 2 2 5 12 7 2 2 1 2 2 1 1 2 2 3 1 1 1 2 2 5 3 4 3 9 15 8 4 2 1 1 1 1 1 3 2 1 1 3 2 1 1 5 3 2 1 2 2 2 2 3 4 6 2 7 4 2 1 1 3 1 2 3 3 3 6 9 9 5 3 4 2 2 2 3 2 3 3 2 2 2 2 2 3 2 1 3 2 2 2 16 4 2 2 1 1 3 7 100 6 0 2 3 13 1 3 20 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 2 2 2 2 1 1 2 4 3 3 12 3 4 8 17 14 2 2 1 1 1 1 2 6 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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: 86 86 d 1H J 44 | 80 79 d 1H J 83 | 74 73 dd 1H J 27 82 | 73 72 d 1H J 28 | 70 70 dq 1H J 8 46 | 39 38 s 2H | 37 36 dd 1H J 33 117 | 36 35 m 1H | 35 34 m 2H | 30 28 m 2H | 26 25 dd 1H J 93 163 | 23 22 dd 1H J 94 162 | 22 21 dddt 1H J 31 62 93 121 | 18 17 m 1H | 17 15 m 6H | 15 14 s 7H | 13 12 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSc1nc(N)nc2[nH]cnc12
ir: 5 5 4 3 4 3 3 3 3 3 2 2 3 4 9 6 2 2 6 20 35 9 5 5 9 7 8 5 4 5 2 2 4 6 4 7 4 4 3 3 10 8 17 14 7 4 2 3 5 16 9 6 1 1 3 3 1 0 2 2 1 1 2 2 2 3 2 1 1 3 1 1 3 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 8 4 1 1 1 4 3 0 1 2 4 2 1 2 1 1 4 2 2 2 1 1 7 14 2 3 2 12 10 3 1 1 2 2 1 1 1 2 2 1 7 4 5 16 2 1 7 22 22 27 13 12 26 13 19 2 2 2 0 31 34 2 3 2 1 1 0 1 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 1 1 1 1 1 2 0 1 1 1 2 1 2 3 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 3 2 2 16 11 3 3 3 2 2 5 13 17 5 4 12 100 16 5 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 59 | 62 62 s 2H | 32 32 t 2H J 57 | 19 18 qt 2H J 57 71 | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccc(N2CCC(N)CC2)cc1)NC(=O)c1c(Cl)cccc1Cl
ir: 2 2 1 5 4 1 1 2 2 1 3 1 1 2 2 4 1 2 1 1 1 5 3 3 4 5 4 2 3 3 3 2 7 9 11 4 9 7 4 4 4 6 6 2 2 15 31 13 6 2 2 2 2 5 4 13 10 100 12 33 18 5 3 1 1 5 3 6 7 3 4 1 1 3 6 11 3 1 2 1 1 4 4 5 4 2 2 2 4 3 3 2 2 2 4 2 1 2 6 4 1 1 2 2 3 3 2 1 1 2 4 2 1 8 5 16 14 7 8 8 4 1 1 2 3 5 5 6 4 3 12 5 8 22 16 7 6 4 10 4 4 51 6 18 9 4 2 3 5 11 17 4 7 4 2 18 1 1 0 1 0 0 1 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 1 2 2 4 3 1 6 10 2 19 68 11 5 2 3 1 2 0 1 1 1 1 4 3 8 34 11 4 4 3 1 6 22 31 43 15 2 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 71 92 | 75 74 dd 2H J 11 82 | 71 70 dq 2H J 9 88 | 68 68 d 1H J 88 | 67 67 m 2H | 47 46 dt 1H J 68 88 | 37 37 s 2H | 35 34 ddd 2H J 57 84 128 | 33 32 ddd 2H J 57 83 130 | 32 30 m 2H | 29 28 ddt 1H J 9 69 143 | 20 19 m 2H | 18 17 dddd 2H J 38 57 82 136 | 17 16 s 1H | 17 16 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=CC(=O)OCC)c1sc2cc(C(F)(F)F)ccc2c1C
ir: 4 2 4 14 4 8 6 4 2 15 8 7 2 3 3 1 2 2 2 2 2 3 5 1 1 1 3 1 3 3 2 4 2 1 1 2 2 8 2 1 2 5 3 1 2 2 7 3 1 2 1 0 3 3 13 26 2 3 2 1 1 2 2 3 6 2 17 65 19 9 8 4 5 4 6 23 18 19 26 7 15 13 2 3 10 3 1 1 3 5 22 13 4 2 1 1 2 2 26 54 23 3 1 8 8 5 9 6 9 6 100 22 52 23 17 7 18 24 9 4 14 15 4 5 6 22 7 6 3 3 5 6 3 2 3 2 8 12 14 8 3 1 2 12 24 10 1 2 2 1 1 9 9 4 2 1 1 1 2 1 8 77 35 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 3 7 1 4 6 5 4 3 2 2 3 3 6 8 12 22 11 54 41 26 10 5 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 82 82 dq 1H J 10 18 | 80 80 d 1H J 102 | 76 75 m 1H | 60 60 t 1H J 15 | 42 42 q 2H J 61 | 29 28 td 2H J 15 77 | 26 25 s 2H | 16 15 tt 2H J 64 76 | 14 13 dtd 2H J 64 73 139 | 13 12 t 3H J 61 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1ccccc1C#N
ir: 1 4 6 4 1 5 11 7 1 3 18 4 1 5 6 3 2 4 6 2 1 5 5 4 5 11 38 23 5 6 7 10 2 6 5 3 2 8 16 1 15 26 9 25 63 10 6 2 3 6 26 2 4 7 5 1 7 8 5 4 9 12 50 1 5 7 3 2 5 8 19 11 7 9 13 5 5 6 4 7 60 17 5 1 7 6 1 1 12 15 26 18 5 6 2 2 6 4 1 2 6 4 0 3 7 4 0 3 8 19 4 3 8 4 3 10 9 6 4 6 9 4 1 11 23 4 2 5 7 3 1 6 8 3 0 5 18 52 4 4 16 5 2 7 7 2 2 9 27 36 3 5 5 2 3 5 4 2 6 6 4 1 3 6 3 1 3 6 3 1 3 6 3 0 4 6 3 1 4 6 3 0 100 4 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 6 5 2 3 5 4 2 3 5 4 2 3 6 6 6 8 6 7 73 41 12 4 1 6 8 5 1 4 6 3 2 4 6 5 2 4 5 2 1 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5; 1HNMR: 77 77 m 1H | 75 74 m 1H | 74 74 s 1H | 74 73 ddd 1H J 27 56 66 | 54 53 hept 1H J 14 | 34 34 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)n(-c2ccccn2)[nH]1
ir: 2 3 9 6 5 3 5 3 0 7 9 61 66 100 14 5 4 3 4 2 2 3 3 2 3 7 20 4 10 17 3 3 3 11 6 7 4 9 22 28 13 5 3 2 2 3 2 2 2 3 3 4 11 31 29 42 5 4 3 3 4 8 13 10 9 10 8 5 11 20 40 7 10 4 2 1 3 3 6 4 7 6 4 2 3 3 2 2 3 3 4 10 6 4 2 3 5 17 6 21 23 6 2 2 3 2 1 2 3 3 2 3 5 3 2 3 4 5 3 4 5 13 8 5 2 10 19 9 3 3 5 6 7 26 30 17 15 7 3 3 3 4 12 14 14 3 3 5 9 6 17 62 24 22 13 5 4 1 4 48 83 47 3 5 3 0 2 4 3 1 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 3 3 2 2 4 4 3 2 3 3 2 2 3 3 2 2 4 3 3 2 3 2 2 2 3 3 3 3 7 5 3 6 4 10 47 28 34 20 5 5 5 4 4 4 4 3 2 3 3 2 2 3 3 2 2 4 4 3 5 18 29 68 46 14 12 10 6 6 4 4 3 3 2 2 2 3 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 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 85 s 1H | 84 84 dd 1H J 17 45 | 77 77 dd 1H J 15 73 | 77 76 td 1H J 17 73 | 74 73 ddd 1H J 15 45 73 | 53 53 q 1H J 14 | 22 22 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1C
ir: 12 20 10 43 34 24 25 10 9 6 19 14 9 5 4 7 8 3 3 6 5 2 9 9 94 28 16 8 4 6 5 2 3 4 5 2 4 5 3 6 3 7 4 5 3 12 6 9 91 25 4 4 2 3 3 1 2 3 2 2 3 3 3 4 7 2 5 39 38 5 2 4 4 3 3 4 4 13 60 6 6 13 15 2 3 3 1 1 2 2 2 3 4 2 2 1 2 2 1 13 17 4 1 2 2 4 3 12 6 3 1 2 2 2 3 4 6 4 4 4 3 8 7 11 5 8 5 3 7 3 3 10 37 42 6 6 4 3 2 2 3 14 3 5 5 25 6 2 16 61 11 40 26 3 12 14 77 78 18 1 3 42 78 12 20 4 3 4 2 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 2 1 1 1 1 1 1 2 2 3 2 2 2 2 2 2 3 2 2 2 4 4 7 1 8 32 11 5 6 4 2 2 1 2 3 47 6 2 3 4 2 2 3 33 49 10 11 10 14 8 45 24 10 10 4 49 100 32 4 3 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 2 3 1 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 84 s 1H | 81 81 d 1H J 121 | 71 71 t 1H J 43 | 67 67 t 1H J 121 | 62 61 p 1H J 46 | 41 40 d 2H J 33 | 30 30 d 4H J 44 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Nc1cccc(Cl)c1F
ir: 6 7 7 7 6 7 7 7 7 7 7 15 20 8 8 9 11 18 19 11 7 7 7 7 7 7 7 7 8 9 9 6 7 8 9 30 36 13 10 9 10 20 49 33 13 15 9 0 64 21 8 12 10 5 7 8 7 5 7 8 7 6 7 9 7 6 7 11 8 7 7 7 7 7 8 7 8 8 8 8 8 10 8 7 7 7 7 7 6 6 7 7 7 8 11 7 7 7 7 7 8 8 11 7 7 7 7 7 6 7 7 7 5 11 10 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 12 19 15 6 8 9 5 6 100 70 11 8 5 6 7 14 8 7 10 13 8 7 8 11 7 18 61 24 10 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 6 11 26 28 20 7 8 8 7 7 6 7 7 7 6 7 8 6 6 40 6 8 8 7 8 21 34 12 9 8 8 11 47 11 8 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7; 1HNMR: 86 86 d 1H J 33 | 77 76 ddd 1H J 12 37 93 | 73 73 ddd 1H J 11 37 88 | 72 71 t 1H J 91 | 62 62 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCP(=O)(CC(=O)OCC)OCC
ir: 4 3 2 1 4 3 4 2 2 3 3 2 3 6 3 2 2 1 0 1 1 0 0 1 2 1 1 1 1 0 0 1 1 1 2 2 1 1 1 13 1 1 1 1 1 1 1 2 3 6 9 4 7 4 10 1 4 4 2 8 2 1 1 2 1 0 19 4 10 2 2 2 10 27 100 15 10 10 9 18 6 1 1 1 0 0 1 1 1 1 2 3 3 2 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 3 4 4 7 5 9 5 9 8 13 10 5 8 8 7 27 39 4 11 11 2 1 1 1 1 1 0 1 1 1 1 1 2 20 86 8 4 2 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 2 2 2 2 5 10 8 5 3 2 3 1 1 4 3 24 23 6 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 42 q 2H J 66 | 41 40 dq 2H J 72 84 | 40 39 d 2H J 119 | 37 36 q 2H J 55 | 34 34 d 2H J 119 | 13 12 m 6H | 12 12 t 3H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C[C@@H]1CCN(C(=O)C2CC2)C1)NNC(=O)Nc1cc(Cl)c(Br)cc1F
ir: 4 1 1 1 3 3 3 2 2 4 3 1 0 1 1 1 1 2 2 3 1 6 5 4 2 7 9 3 8 16 13 7 11 6 9 7 4 16 7 15 15 11 13 71 25 15 12 22 15 2 6 6 10 10 4 3 8 3 1 1 1 2 1 1 2 2 4 7 9 6 2 1 1 1 1 0 1 1 0 0 1 1 1 1 2 2 4 1 2 2 3 5 5 7 2 3 3 3 1 1 5 2 1 3 11 7 11 4 4 3 1 3 7 3 1 1 2 1 0 2 2 2 1 1 1 1 1 1 2 4 1 2 2 5 8 5 2 1 3 2 6 44 36 13 4 100 11 12 24 14 43 33 11 7 5 4 22 10 2 1 1 8 5 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 2 1 1 2 1 6 2 3 5 3 9 26 8 4 6 8 2 1 1 1 1 1 1 1 1 1 2 3 1 3 4 3 2 9 57 99 44 7 4 0 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 92 91 d 1H J 64 | 84 84 d 1H J 33 | 78 77 d 1H J 44 | 75 74 d 1H J 121 | 37 37 m 1H | 36 35 dddd 1H J 18 51 70 123 | 35 34 m 2H | 25 24 m 1H | 24 23 m 1H | 22 22 m 1H | 20 19 m 2H | 18 17 ddt 1H J 53 71 123 | 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.
O=C(O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
ir: 6 7 6 4 14 9 5 5 8 5 8 3 3 6 8 4 9 21 4 17 43 55 17 8 15 16 24 14 11 8 7 3 7 8 23 8 11 9 8 13 23 8 7 10 20 6 8 5 12 5 7 7 7 9 8 21 6 4 2 2 3 8 8 19 30 20 11 13 8 5 7 3 3 8 3 4 12 7 8 34 66 10 3 3 70 19 12 13 13 7 5 3 4 10 16 11 8 3 5 20 3 2 4 13 18 40 3 2 1 1 2 2 2 12 3 3 2 3 7 5 15 34 23 34 58 18 6 13 25 3 2 2 2 3 2 2 2 2 14 17 8 9 2 2 2 3 3 10 22 4 3 12 2 2 7 9 2 2 5 3 2 3 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 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 8 88 32 14 7 2 3 5 2 0 54 12 3 4 1 1 2 2 2 1 2 2 2 2 3 7 51 100 12 7 7 4 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 84 84 dd 1H J 22 42 | 81 81 dt 1H J 10 21 | 78 77 dd 1H J 21 80 | 77 77 dd 1H J 20 85 | 77 76 d 1H J 85 | 74 73 dd 1H J 42 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N1CCN(c2nccc3cc4c(cc23)NCC4)CC1)C(F)(F)F
ir: 39 14 20 12 21 9 10 13 16 8 3 9 16 12 5 12 11 5 3 14 16 7 4 11 17 5 3 10 12 15 26 49 29 11 13 20 23 9 6 14 10 3 6 12 9 3 8 12 8 2 18 19 10 1 7 14 11 4 8 14 8 1 7 12 6 4 12 24 15 10 17 12 6 1 9 17 11 9 13 10 5 4 11 12 12 16 32 20 6 6 16 18 5 6 12 13 9 25 64 43 50 9 17 11 4 7 15 39 56 11 17 14 7 16 17 10 2 9 16 21 13 11 26 24 15 10 16 6 2 8 13 7 5 14 30 9 9 48 33 14 6 9 11 6 8 39 100 65 48 18 12 3 5 10 9 5 17 31 16 6 6 11 7 1 5 11 6 1 8 11 6 0 6 11 5 0 6 11 5 1 6 10 5 1 7 10 4 2 7 9 4 2 7 9 3 2 8 9 3 3 8 8 3 3 9 8 2 4 9 7 2 4 9 7 2 4 10 7 1 5 10 6 1 5 10 6 1 5 11 6 1 6 10 5 1 6 10 5 2 7 10 4 2 7 9 4 2 7 9 4 3 8 8 3 3 8 8 3 3 8 8 3 4 9 8 3 4 9 7 2 5 9 7 3 7 11 12 6 6 11 7 1 9 20 29 10 17 41 13 8 11 12 8 3 7 9 6 4 8 14 6 3 7 10 6 5 7 9 7 25 67 35 34 24 33 35 12 8 13 8 4 4 9 8 3 5 10 7 3 5 10 7 3 6 10 7 3 6 11 7 3 6 10 6 2 6 9 6 2 6 9 5 2 6 9 5 2 7 9 4 3 7 8 4 3 7 8 4 3 7 8 4 4 8 7 3 4 8 7 3 4 8 7 3 5 8 6 3 5 9 6 2 5 9 6 2 5 9 6 2; 1HNMR: 81 81 d 1H J 50 | 78 78 m 1H | 75 74 dd 1H J 23 50 | 73 73 s 1H | 46 45 t 1H J 31 | 38 38 m 4H | 37 36 m 4H | 36 36 m 2H | 30 30 ddd 2H J 9 31 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCOCC1
ir: 3 1 1 1 2 2 3 6 13 5 7 14 4 4 7 1 4 6 3 2 2 1 1 6 2 1 2 4 10 11 24 10 7 2 4 11 6 7 46 47 39 16 5 6 7 6 4 5 7 5 9 10 35 90 52 6 6 18 26 11 3 22 9 6 3 8 35 41 76 56 40 20 5 2 10 6 25 33 13 4 10 6 7 4 5 6 24 5 5 67 6 18 26 6 4 6 3 17 47 11 31 20 8 33 49 16 12 11 32 23 3 21 23 50 48 8 25 20 5 13 8 33 15 7 14 25 21 9 10 9 5 8 15 57 13 98 9 6 7 11 8 4 7 45 23 31 33 11 6 6 16 10 4 3 4 3 1 2 2 1 1 2 2 12 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 4 5 5 14 16 9 14 15 24 32 41 11 24 22 100 60 34 56 77 45 15 16 4 10 5 5 4 2 7 12 4 9 9 2 10 8 4 3 4 29 51 4 2 1 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 76 75 m 2H | 74 72 m 5H | 71 71 ddq 2H J 8 15 60 | 54 54 dq 1H J 9 133 | 54 53 dq 1H J 9 134 | 46 45 q 1H J 58 | 37 37 ddd 2H J 34 61 110 | 35 35 ddd 2H J 34 62 110 | 25 25 d 2H J 59 | 22 21 h 1H J 56 | 19 19 dtd 2H J 35 58 141 | 17 16 dtd 2H J 35 59 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CP(C)(=O)c1ccc(Nc2cc(NC3CCCO3)ncn2)cc1
ir: 1 2 3 7 14 6 4 8 6 7 17 10 10 4 3 8 7 7 5 8 3 5 11 4 7 5 5 3 3 4 3 6 3 7 8 18 18 12 16 9 3 9 11 3 2 3 2 1 2 4 2 3 2 4 6 5 15 4 4 4 5 4 4 7 6 6 9 7 5 6 4 3 3 3 3 7 7 7 19 9 3 3 3 28 2 3 2 6 4 3 3 5 4 5 2 2 3 5 37 12 3 2 1 3 13 4 6 2 2 2 2 2 2 3 3 3 3 3 3 5 7 10 6 16 12 4 3 2 2 4 3 2 2 2 2 2 1 1 1 1 2 3 16 10 3 4 100 7 6 25 8 16 17 7 6 2 1 2 2 1 11 2 2 53 3 0 1 3 2 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 5 4 1 2 3 2 2 2 2 3 4 4 4 9 8 5 6 12 27 9 4 3 1 2 2 2 1 2 2 1 1 2 2 1 1 2 3 2 2 2 3 4 8 19 43 33 5 7 2 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 93 93 s 1H | 82 82 d 1H J 14 | 76 76 m 2H | 74 73 m 2H | 68 68 d 1H J 53 | 58 57 d 1H J 14 | 53 52 dt 1H J 27 54 | 39 38 m 1H | 37 37 m 1H | 23 22 m 1H | 21 19 m 2H | 19 19 s 3H | 19 18 m 1H | 19 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(NC(=O)C(Br)CCl)COCOC1
ir: 11 6 0 3 6 4 1 4 7 5 19 5 5 2 2 12 13 3 1 5 6 3 1 4 5 3 3 7 13 3 3 8 7 14 11 11 13 10 14 44 19 11 11 12 9 27 22 7 14 4 5 62 5 2 4 6 4 4 5 7 3 0 4 7 5 1 4 6 9 3 5 8 3 8 13 9 23 11 8 6 2 1 5 6 6 3 10 8 7 3 6 7 3 2 8 7 3 3 8 15 7 6 5 4 6 13 9 5 2 13 7 4 2 9 9 8 4 5 10 4 1 5 7 6 5 7 8 4 2 4 5 2 2 4 6 3 2 5 6 4 7 13 21 51 64 39 36 14 4 7 5 1 2 5 4 1 2 6 4 1 2 5 3 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 0 3 6 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 3 5 4 1 4 12 8 7 5 10 23 14 4 13 17 13 4 5 3 2 4 4 3 2 3 5 3 2 4 4 3 3 4 4 3 3 3 4 5 8 11 28 100 3 8 6 1 1 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 72 72 s 1H | 48 48 s 2H | 47 47 t 1H J 24 | 42 41 dd 1H J 24 130 | 39 38 m 3H | 37 36 d 2H J 119 | 17 16 q 2H J 69 | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1ccc(CBr)cc1
ir: 1 1 1 1 1 1 1 2 5 2 7 2 2 2 1 1 1 1 1 1 1 12 13 8 1 5 4 22 44 44 29 27 12 2 2 3 4 1 3 3 3 2 2 3 1 1 1 2 4 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 3 3 6 19 10 10 4 2 1 1 1 1 1 1 1 1 1 1 2 4 5 15 34 18 3 3 3 1 1 2 5 4 2 3 2 1 1 2 2 1 7 16 8 2 1 2 1 5 1 2 1 0 1 2 1 2 3 4 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 16 28 20 30 10 23 76 100 25 13 4 3 3 2 3 2 1 1 1 21 18 1 3 1 0 1 2 1 0 2 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 3 2 1 1 3 8 9 5 5 21 56 82 41 10 7 8 7 7 3 3 3 1 0 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 42 42 m 2H | 35 34 m 2H | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1N(C)c1ccc(C(=O)O)cc1)N(C(C)C)CCC2(C)C
ir: 2 2 3 2 4 5 7 6 5 4 4 3 3 4 12 4 6 7 5 8 6 16 51 5 6 5 4 2 3 4 4 3 2 3 6 2 2 2 2 2 3 3 2 2 3 3 2 3 2 3 4 4 6 5 4 14 8 6 3 2 3 4 4 3 4 4 3 2 3 4 10 10 5 6 5 9 6 17 11 14 14 9 3 3 4 6 4 4 3 6 3 5 8 4 3 3 3 2 2 3 3 3 2 2 2 3 5 3 3 3 2 3 3 3 4 11 8 4 2 4 4 3 4 5 4 3 2 3 4 3 3 4 4 4 2 4 3 2 2 3 3 2 5 34 6 2 4 3 3 3 10 7 6 10 10 11 13 5 2 2 2 2 2 3 9 16 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 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 3 3 2 2 3 3 2 3 3 3 3 3 4 4 2 8 8 7 13 12 7 6 4 3 5 3 0 11 100 7 5 3 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 m 2H | 73 72 m 2H | 69 69 d 1H J 7 | 62 62 s 1H | 38 37 p 1H J 67 | 35 35 m 2H | 33 33 s 3H | 23 23 s 3H | 20 20 m 2H | 14 13 s 5H | 13 12 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(N2CCC(COC3CCC(c4cnc(S(C)(=O)=O)cn4)CC3)CC2)nc1
ir: 29 4 3 2 1 2 10 47 14 4 5 16 7 1 1 2 0 2 3 4 1 1 1 1 0 1 2 4 1 1 1 1 2 1 5 6 8 29 9 5 3 2 1 0 2 2 1 0 0 1 1 1 2 1 1 3 1 9 2 2 4 3 1 3 2 8 10 10 4 7 8 6 2 1 1 2 5 1 3 0 1 1 1 10 69 20 4 1 2 1 1 2 3 5 2 1 1 2 0 1 3 2 3 4 6 10 18 4 6 3 6 3 11 5 4 2 2 3 4 5 4 7 3 6 6 3 10 5 3 4 4 2 3 2 3 2 1 5 3 9 16 4 3 5 6 100 6 6 1 1 2 2 22 7 3 1 0 2 2 36 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 0 1 2 2 2 1 1 2 0 2 5 14 9 12 7 6 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 m 2H | 83 83 d 2H J 9 | 39 38 p 1H J 45 | 37 36 ddd 2H J 65 92 155 | 36 35 ddd 2H J 65 92 154 | 35 34 s 2H | 32 31 d 2H J 52 | 31 31 pd 1H J 7 63 | 31 30 qt 2H J 9 80 | 22 20 m 4H | 20 19 m 4H | 18 17 m 3H | 17 16 dddd 2H J 46 64 90 136 | 15 14 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1csc2c1CCCC2=O
ir: 5 11 4 2 1 1 2 1 2 2 4 3 2 2 3 1 1 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 3 25 2 1 11 2 4 1 1 1 1 3 7 5 8 6 1 1 7 7 4 3 1 2 9 18 30 15 0 2 2 1 1 2 2 1 1 1 6 1 1 1 1 1 1 1 1 3 12 5 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 7 2 1 1 1 1 1 3 5 1 6 14 4 2 11 7 2 2 2 1 3 3 3 3 5 5 2 2 4 4 2 3 3 5 2 1 1 1 1 6 12 3 2 1 1 1 1 0 1 6 7 100 10 13 2 2 1 2 4 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 1 1 2 2 9 8 2 2 2 2 5 7 8 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 4 28 9 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; 1HNMR: 75 75 s 1H | 64 64 s 1H | 32 31 m 2H | 29 29 m 2H | 20 20 p 2H J 71 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1c(C)cc(C)c1C
ir: 6 5 8 5 1 3 4 7 8 4 3 2 4 3 4 5 3 2 2 1 1 1 3 2 3 14 13 11 4 2 2 1 2 3 6 2 2 2 1 1 1 2 3 4 4 2 3 2 3 1 2 1 1 4 9 11 7 3 2 2 1 1 5 15 11 3 6 7 3 5 2 2 5 17 7 32 27 5 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 2 5 3 3 11 6 12 38 17 18 45 18 4 6 3 1 2 2 4 1 4 7 14 8 29 17 16 3 9 5 3 4 4 4 2 1 2 2 2 7 19 5 11 6 3 7 6 16 8 100 36 10 7 4 0 1 1 2 1 1 19 18 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 5 2 2 3 7 6 4 2 3 5 5 9 19 14 24 9 6 4 17 59 16 1 3 3 2 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 58 58 d 1H J 9 | 49 48 s 2H | 38 37 s 3H | 22 22 s 3H | 21 20 d 7H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NNC(=O)c1nn(-c2ccccc2)c(N)c1C
ir: 8 7 8 2 2 1 2 5 2 2 1 2 1 1 0 0 1 0 1 1 2 2 2 3 1 1 1 2 5 3 6 13 2 2 2 5 2 3 3 7 2 1 1 3 7 6 2 2 3 2 1 2 2 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 2 3 2 1 1 0 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 3 1 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 1 0 1 1 0 1 2 1 0 1 2 4 3 9 21 6 2 2 2 14 26 2 1 8 2 25 4 1 2 1 3 4 3 13 0 0 2 1 1 13 13 19 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 1 2 2 2 4 9 3 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 4 8 1 2 3 6 17 5 5 1 1 0 6 100 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; 1HNMR: 78 78 m 3H | 77 76 m 3H | 74 74 tt 1H J 13 71 | 46 46 s 2H | 24 24 s 3H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1ccc(-n2cnnc2)cc1
ir: 3 2 3 3 3 2 4 2 1 2 2 2 1 3 3 4 4 10 6 7 3 5 13 13 17 15 6 4 5 3 4 2 3 3 3 5 6 8 4 5 13 11 6 4 3 4 4 9 4 4 2 2 3 3 11 8 12 3 2 2 2 2 2 1 2 2 1 1 2 3 2 3 2 1 1 1 2 2 2 2 2 3 7 2 2 2 2 4 3 3 2 2 2 3 7 2 2 2 2 2 2 2 3 2 2 6 8 2 4 3 2 3 6 13 8 2 3 2 2 2 2 2 1 6 5 4 4 3 2 2 1 2 3 2 2 3 4 3 4 18 14 4 3 5 6 5 3 5 5 3 5 6 4 9 7 11 100 10 3 0 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 3 3 2 2 2 2 2 2 2 4 10 15 6 3 5 4 4 2 2 2 2 2 3 3 3 47 46 2 3 4 4 6 2 4 77 96 45 21 6 2 3 3 1 2 3 2 2 2 2 2 2 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 2H | 76 75 m 2H | 71 71 m 2H | 57 57 t 1H J 38 | 44 44 d 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCN(C(=O)c1nc(-c3ccc(F)cc3)nc3ccc(F)cc13)C2
ir: 4 3 2 4 2 3 1 5 3 3 3 3 4 3 4 7 3 15 11 3 8 5 2 5 3 3 9 3 4 4 10 8 3 27 8 7 2 2 3 5 3 7 3 3 3 4 3 5 5 18 25 4 4 0 5 23 100 40 5 2 3 7 3 6 8 6 6 4 11 17 4 2 2 3 3 3 3 6 3 3 2 2 2 2 2 2 4 3 8 2 3 6 6 10 8 4 4 3 6 4 3 2 4 3 10 16 3 5 10 4 2 2 2 3 6 3 2 2 4 6 5 5 4 5 8 9 18 3 3 7 4 4 3 3 4 6 9 9 7 40 43 4 10 11 6 2 4 81 32 11 30 21 12 28 13 5 3 5 2 1 2 6 15 3 2 3 11 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 2 2 2 2 2 1 2 1 1 2 1 2 2 2 2 1 1 2 1 1 1 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 3 4 3 7 6 11 13 43 30 11 11 6 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 2 1; 1HNMR: 81 80 dd 1H J 46 81 | 80 79 dd 1H J 26 121 | 79 79 m 2H | 74 73 m 3H | 70 70 dt 1H J 9 88 | 67 67 dd 1H J 21 87 | 66 66 dt 1H J 8 20 | 46 46 d 2H J 10 | 38 38 m 2H | 38 38 s 3H | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#C[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
ir: 5 11 8 6 3 5 5 5 3 5 7 21 16 8 5 8 15 14 11 6 6 16 7 14 6 5 6 5 34 7 6 6 5 4 5 5 4 5 5 4 5 6 5 10 16 6 7 6 5 5 7 5 6 5 5 5 8 5 6 6 9 6 7 10 8 8 9 8 6 8 6 7 8 23 34 18 97 74 48 16 14 15 6 6 7 7 5 6 8 10 8 8 6 5 6 7 7 5 6 8 6 18 10 10 12 12 29 21 14 9 14 17 9 22 3 24 16 22 14 11 11 11 13 27 13 8 13 8 8 12 8 7 9 9 6 8 6 9 13 41 33 11 5 7 5 5 5 5 5 5 5 4 4 5 5 4 5 7 5 0 100 3 4 7 5 3 4 6 4 3 4 5 4 3 4 5 8 15 4 5 4 4 4 6 4 3 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 5 4 4 5 5 4 4 5 5 5 5 6 7 6 6 10 9 34 11 12 8 7 7 9 9 25 64 66 31 18 10 6 5 5 5 5 4 4 5 5 4 4 4 5 4 7 30 9 4 4 5 5 4 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 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 57 57 p 1H J 9 | 33 33 s 2H | 26 25 s 1H | 25 22 m 5H | 21 20 m 2H | 18 16 m 7H | 15 14 m 4H | 13 12 ddt 1H J 54 79 122 | 11 11 s 2H | 10 9 dddd 1H J 25 32 59 83 | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNS(=O)(=O)c1ccccn1
ir: 2 4 6 7 13 3 1 4 2 4 9 8 6 3 2 4 2 4 2 2 1 2 3 2 1 2 3 16 1 23 9 6 3 6 5 2 3 11 8 4 2 5 2 3 2 5 2 2 1 2 1 0 4 1 22 7 4 8 3 6 1 4 4 3 3 5 2 1 3 3 2 2 1 2 2 4 2 6 6 1 1 6 2 1 2 16 19 6 13 2 4 4 2 7 16 6 4 3 5 9 10 5 11 13 19 14 7 8 11 4 1 3 4 2 2 2 1 2 2 2 2 2 6 4 3 1 1 2 1 3 2 4 3 3 3 3 1 1 1 1 1 1 2 5 18 8 2 2 3 16 4 1 1 2 4 1 5 2 1 1 1 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 3 2 6 3 5 6 10 5 5 9 26 17 5 4 6 4 3 0 2 2 1 0 2 4 3 6 30 100 17 18 32 3 4 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 85 85 dd 1H J 16 42 | 80 79 dd 1H J 17 83 | 80 79 ddd 1H J 16 68 83 | 75 75 ddd 1H J 16 42 70 | 64 63 t 1H J 90 | 54 54 d 1H J 77 | 39 38 dq 1H J 48 68 | 37 36 ddt 1H J 59 70 77 | 36 35 d 1H J 48 | 34 33 ddd 1H J 47 90 145 | 32 31 ddd 1H J 48 90 147 | 17 16 dtd 1H J 57 92 136 | 15 12 m 5H | 14 14 s 9H | 9 8 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCCNc2ccc(N)cc21
ir: 5 5 5 5 6 3 5 3 6 4 3 2 2 2 1 1 1 0 1 2 1 1 1 1 1 1 1 3 3 1 1 1 1 1 2 2 1 2 1 1 1 0 1 1 1 0 0 1 1 1 1 1 3 1 3 2 1 1 1 1 1 0 1 1 1 1 1 1 2 5 1 0 1 0 0 0 0 2 1 3 2 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 2 4 1 3 4 4 1 0 0 1 0 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 0 1 1 2 9 1 2 0 1 1 0 0 1 1 0 0 1 1 0 2 2 5 23 100 12 11 5 1 1 0 1 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 2 1 1 3 6 7 4 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 16 34 9 1 2 6 21 12 4 2 1 2 19 26 5 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 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; 1HNMR: 67 67 d 1H J 21 | 66 65 dd 1H J 21 76 | 65 65 d 1H J 76 | 59 58 s 2H | 33 32 m 3H | 19 18 m 2H | 18 18 dddd 2H J 23 50 66 103 | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)ccc1-c1ccc2c(F)c(O)ccc2n1
ir: 3 2 1 2 2 4 1 7 1 1 2 4 10 4 3 5 2 14 8 17 14 30 38 6 3 4 1 1 3 1 2 4 2 2 3 3 1 1 2 1 1 1 1 1 1 1 1 2 9 1 1 3 2 0 57 33 27 15 2 0 1 6 1 1 6 3 2 1 2 5 10 5 3 2 2 3 10 100 78 2 5 4 3 2 3 3 4 19 10 7 1 1 5 6 25 10 3 1 1 1 2 3 5 1 1 1 1 2 6 12 3 1 1 1 1 7 13 2 1 2 1 1 1 1 4 5 4 15 1 1 4 2 2 6 7 6 2 1 1 2 7 15 39 10 40 5 3 8 6 6 6 7 3 2 1 9 15 3 1 1 1 0 1 1 1 6 1 0 0 0 0 1 0 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 2 2 3 3 1 4 48 18 8 5 1 2 3 3 61 24 19 12 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 51 76 | 79 79 m 2H | 79 78 m 1H | 78 78 d 1H J 88 | 78 78 d 1H J 98 | 72 72 dd 1H J 49 98 | 60 60 d 1H J 46 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(F)c4)cc3)c3c(N)ncnc32)C1
ir: 14 6 5 6 3 6 7 6 9 5 10 14 14 11 3 4 3 4 8 4 8 7 7 15 7 16 8 5 3 5 4 8 10 8 2 4 5 18 35 69 47 10 14 12 4 4 12 28 13 2 8 8 3 3 13 44 23 18 9 6 5 6 5 5 2 3 2 17 15 28 6 7 4 4 3 2 2 1 2 3 2 2 3 1 3 7 3 3 2 2 3 5 5 2 2 2 3 9 3 11 5 2 3 2 3 2 8 7 7 4 2 3 5 4 2 5 1 3 3 4 2 5 6 5 6 8 13 3 2 1 2 2 1 3 9 13 6 2 13 16 18 4 6 3 5 7 9 51 14 19 47 19 24 11 100 23 3 19 52 6 17 1 1 2 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 4 1 4 1 2 0 4 3 4 9 6 6 18 44 11 9 5 4 1 0 2 3 2 1 1 1 1 1 1 1 2 14 10 2 1 1 1 1 1 1 1 1 2 7 22 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 s 1H | 78 77 m 2H | 73 73 td 1H J 50 77 | 71 70 m 2H | 70 69 dddd 1H J 12 22 79 90 | 70 69 s 2H | 69 68 ddd 1H J 13 23 77 | 67 66 dt 1H J 22 121 | 47 47 dddd 1H J 14 29 42 56 | 41 40 dd 1H J 41 124 | 39 38 dd 1H J 14 123 | 38 38 s 2H | 36 36 ddd 1H J 32 57 121 | 35 34 ddd 1H J 31 57 121 | 22 21 m 1H | 21 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)Cc1cc2cc(Oc3ccc(Br)cc3)ccc2[nH]1
ir: 3 7 5 5 18 6 10 4 8 15 4 3 6 4 2 2 2 4 2 3 3 7 2 2 3 3 1 10 18 21 10 3 4 4 8 5 1 2 2 1 2 2 2 2 8 3 2 5 18 12 5 5 5 0 54 27 15 5 2 2 2 2 4 6 9 7 3 9 14 11 2 2 2 2 1 1 4 10 10 2 3 5 2 2 3 21 31 18 5 4 7 20 13 4 3 3 9 19 23 9 8 19 6 6 5 2 1 2 2 2 4 3 6 4 2 2 3 4 4 8 6 18 26 6 6 3 1 2 2 2 3 4 3 6 2 2 2 1 1 3 3 2 1 4 16 54 94 6 3 2 4 15 13 17 2 2 5 93 26 4 3 2 2 3 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 3 2 1 2 5 3 3 15 21 100 68 35 22 11 11 5 2 3 3 2 4 3 3 1 2 2 2 2 2 7 3 3 2 6 9 11 13 30 45 12 3 3 1 2 2 2 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 s 1H | 76 75 m 2H | 72 72 d 1H J 71 | 72 71 t 1H J 23 | 71 70 m 2H | 68 68 dd 1H J 24 73 | 63 62 m 1H | 38 37 d 2H J 7 | 27 26 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)c(OC)n1
ir: 4 3 6 2 10 8 6 11 3 15 54 14 7 6 5 1 1 4 2 1 0 1 1 1 5 2 3 2 4 1 12 5 2 7 3 7 6 7 8 46 37 19 7 2 1 2 3 2 3 9 10 1 4 46 5 8 4 3 2 3 3 9 4 4 4 2 8 5 3 5 1 1 1 1 0 2 1 2 5 1 1 1 1 2 1 1 1 5 23 4 4 4 2 2 2 2 2 2 1 1 1 1 3 3 2 1 1 1 1 2 18 4 4 8 4 8 6 6 24 20 6 9 9 4 8 6 8 4 9 3 8 13 6 4 4 13 10 15 100 39 10 12 14 7 5 10 25 10 3 25 16 80 23 9 3 2 1 1 1 12 11 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 1 0 1 1 1 1 1 1 1 3 3 3 1 1 2 2 1 2 2 2 4 4 15 35 30 22 7 34 7 4 1 4 3 1 1 1 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 d 1H J 86 | 74 73 m 4H | 73 72 m 1H | 66 66 d 1H J 86 | 40 39 d 5H J 159 | 36 36 ddd 2H J 35 58 119 | 34 34 ddd 2H J 35 59 119 | 27 26 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(=O)C(C)O
ir: 16 8 4 6 6 5 4 4 6 3 3 6 2 2 2 6 7 4 0 1 2 1 1 2 1 1 1 1 1 1 2 3 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 4 4 6 5 5 4 7 2 4 5 2 3 2 1 1 2 4 5 21 6 7 63 58 100 38 15 1 4 4 2 1 1 2 2 1 3 17 7 2 2 2 1 4 5 2 1 0 1 1 1 1 2 2 1 2 3 5 4 4 7 5 8 3 5 2 1 0 1 1 1 0 1 1 1 1 1 2 2 12 14 10 9 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 3 1 2 1 1 2 5 2 2 3 3 2 3 2 4 1 1 1 2 3 2 2 3 29 89 76 35 4 3 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 43 42 qd 1H J 58 71 | 32 31 d 1H J 59 | 22 22 s 3H | 14 14 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(O)cc2oc3cc(Cl)c(C=O)n3c(=O)c2c1O
ir: 3 6 2 1 0 1 1 1 1 1 1 1 1 1 1 1 5 2 2 2 1 2 2 5 4 9 2 1 1 2 1 1 2 1 2 4 1 1 1 0 1 1 1 0 1 1 1 1 2 5 11 0 1 1 1 1 1 1 2 0 1 1 1 1 2 1 1 4 6 7 3 2 1 1 8 8 1 1 1 0 1 1 1 1 4 16 2 2 1 6 5 1 3 7 2 9 2 1 1 7 2 1 0 1 5 1 1 4 11 0 2 1 1 1 1 4 2 1 2 2 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 0 2 1 2 20 1 1 8 10 1 0 1 1 1 0 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 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 0 1 1 1 1 2 2 3 4 3 11 3 7 14 2 2 13 100 3 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 1 1 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 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: 88 88 s 1H | 66 66 s 1H | 63 63 s 1H | 29 29 t 3H J 62 | 17 16 qt 3H J 62 74 | 11 10 t 4H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc2c(c(C(=O)Cl)c1)CCCC2
ir: 2 5 6 6 3 6 11 8 11 11 6 3 1 3 3 4 1 4 5 3 2 3 8 6 5 5 5 1 2 10 7 2 4 4 23 21 2 7 8 1 1 4 3 1 2 3 8 6 6 6 4 8 9 3 3 2 3 3 3 2 2 3 4 3 3 6 46 39 29 14 9 6 6 4 10 10 4 15 15 16 100 43 7 5 6 4 7 11 16 5 2 3 3 2 2 2 4 3 4 6 11 9 4 3 5 8 3 13 9 19 27 16 9 6 4 10 12 8 10 9 5 11 4 5 3 8 11 8 5 4 8 4 4 3 3 5 48 90 14 12 33 38 36 9 7 2 1 5 14 5 1 3 2 0 1 3 9 6 4 3 2 1 12 9 3 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 2 2 4 7 7 5 6 5 7 5 5 5 4 7 7 10 32 49 22 19 67 52 7 5 1 2 4 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3; 1HNMR: 73 73 d 1H J 22 | 67 67 dt 1H J 9 20 | 47 46 hept 1H J 57 | 33 32 ddt 2H J 16 51 86 | 28 27 m 2H | 18 17 m 4H | 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.
CC(=O)Nc1ccc(N2CN=c3occc3=C2N)cc1
ir: 1 1 2 2 1 2 1 2 4 2 2 2 4 2 1 2 1 2 3 6 2 1 2 3 1 3 4 2 1 3 6 6 4 4 4 2 4 3 4 2 1 1 1 1 1 1 1 1 1 0 1 2 2 1 3 5 10 6 2 1 1 1 1 1 1 2 1 1 1 3 12 3 2 3 1 1 1 1 1 1 1 2 2 2 2 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 4 0 1 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 0 1 9 3 1 1 2 8 2 6 9 6 8 3 4 0 100 26 12 3 2 0 0 1 1 1 8 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 2 5 2 6 25 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 15 6 0 2 3 8 7 4 2 1 1 3 30 44 5 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 76 75 m 2H | 72 72 d 1H J 14 | 69 68 m 2H | 68 68 d 1H J 14 | 56 56 s 2H | 51 51 s 2H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOC(=O)Oc1ccc(CCc2cnc3c(N)nc4cc(C)ccc4c3c2)cc1
ir: 4 4 9 3 4 3 7 5 2 3 3 2 8 4 12 2 2 1 1 2 4 3 1 1 3 4 2 4 14 14 7 7 3 2 1 2 3 2 3 2 11 1 1 8 2 1 4 1 2 5 6 2 2 2 2 5 7 7 13 3 1 2 1 1 2 2 2 5 1 8 3 2 7 3 1 2 1 1 1 1 1 3 1 1 1 1 2 2 1 2 2 2 1 1 2 2 6 7 1 1 1 1 3 8 1 2 2 1 1 2 0 2 5 7 3 2 2 7 0 4 6 3 3 1 1 2 5 4 1 3 6 9 2 3 5 3 2 1 1 1 1 1 1 1 1 5 14 6 15 8 14 100 17 4 5 4 11 2 6 2 1 0 1 2 1 0 1 1 1 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 18 13 6 3 1 2 2 1 1 0 1 1 0 1 1 0 1 1 4 5 1 1 1 0 0 1 1 0 1 3 2 42 10 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H | 81 80 d 1H J 86 | 80 80 dq 1H J 8 17 | 78 77 dd 1H J 11 20 | 74 73 m 1H | 72 71 dt 2H J 9 86 | 70 70 m 2H | 67 67 s 2H | 42 42 t 2H J 62 | 29 29 s 4H | 25 25 d 3H J 9 | 18 17 tt 2H J 62 73 | 14 12 m 7H | 9 9 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)ns1
ir: 6 2 7 2 4 3 6 5 4 3 2 9 7 15 10 17 19 11 3 5 12 15 18 13 30 24 5 8 7 3 15 20 8 10 3 4 3 2 4 13 23 12 12 22 8 9 4 2 2 2 4 5 4 1 2 2 2 2 2 2 2 1 2 5 5 2 3 3 5 11 9 2 2 1 2 3 2 2 4 3 2 1 2 2 2 2 3 15 7 2 2 4 2 1 2 2 8 4 4 2 3 5 3 2 3 10 6 8 31 4 12 5 3 2 2 2 2 3 3 3 4 4 3 2 2 2 5 3 1 3 2 4 16 7 7 25 8 46 6 8 8 100 24 21 17 21 19 9 3 3 3 2 10 2 2 4 2 2 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 3 3 6 5 7 26 13 16 16 8 2 3 3 2 3 2 2 1 2 3 2 1 2 2 1 0 2 3 1 0 77 98 28 10 1 1 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 d 1H J 71 | 82 82 d 1H J 72 | 82 82 m 1H | 75 74 m 4H | 74 73 m 3H | 73 73 ddd 1H J 13 72 81 | 72 72 ddd 1H J 11 72 83 | 64 64 m 1H | 41 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NCCCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)cc1
ir: 7 10 12 8 8 9 9 8 10 8 14 34 0 10 10 5 6 7 8 6 7 7 12 6 10 7 8 6 6 7 11 10 7 9 10 13 10 15 19 12 12 8 19 15 10 22 23 45 24 12 13 11 23 18 9 7 12 5 19 9 8 15 11 3 29 5 15 13 13 25 31 30 28 12 9 10 8 9 6 6 10 31 21 16 100 13 18 15 50 10 14 10 7 44 10 10 10 14 10 12 17 13 6 17 56 64 13 11 12 9 9 9 10 8 6 7 10 8 8 13 8 7 9 8 10 18 12 19 14 12 6 7 7 6 6 7 8 11 7 7 8 15 8 6 12 42 49 28 12 7 5 8 9 7 8 7 9 6 7 7 10 11 11 9 7 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 7 7 6 6 7 7 7 8 8 8 7 7 11 8 8 16 17 22 54 14 14 9 8 8 6 7 6 7 6 6 6 6 6 6 5 7 8 11 14 29 31 25 26 14 10 7 7 6 6 5 6 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6; 1HNMR: 92 92 s 1H | 78 77 m 2H | 75 75 ddd 1H J 12 21 79 | 74 74 td 1H J 7 22 | 73 73 m 2H | 72 72 t 1H J 78 | 70 69 ddt 1H J 9 20 77 | 58 57 t 1H J 70 | 31 31 ddd 2H J 55 82 115 | 30 29 q 2H J 66 | 27 26 hept 1H J 64 | 26 25 t 2H J 57 | 25 24 m 1H | 24 24 d 3H J 8 | 23 22 ddd 2H J 55 82 115 | 20 19 ddt 2H J 54 82 128 | 18 17 m 2H | 17 16 ddt 2H J 55 82 128 | 12 11 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(-c2nc3c(N4CCN(Cc5c(F)cccc5Cl)CC4)c(Cl)cnc3[nH]2)cc1
ir: 3 5 4 4 2 3 4 2 10 3 3 3 3 4 3 3 3 4 11 16 3 4 3 33 5 11 72 34 6 5 5 1 3 8 3 6 4 5 4 2 3 2 3 8 15 25 78 6 6 5 4 1 3 10 13 17 19 12 7 6 3 3 4 2 5 4 4 9 3 6 12 3 3 7 3 2 6 3 4 22 30 9 19 18 44 7 4 4 4 8 8 45 14 5 5 4 13 6 8 11 5 5 12 7 5 2 1 3 3 2 1 2 5 2 2 4 4 3 2 2 3 2 2 3 2 2 3 3 5 2 2 7 3 2 3 6 27 8 10 9 41 3 2 3 6 18 11 4 4 11 3 9 3 16 7 25 9 100 18 5 3 0 1 4 19 3 3 3 2 1 1 3 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 4 2 2 3 2 2 4 10 7 12 87 24 6 8 5 6 5 2 1 2 3 1 1 2 2 1 1 2 3 2 1 2 4 3 1 13 43 18 6 4 12 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 2; 1HNMR: 82 82 s 1H | 79 79 m 2H | 73 72 m 2H | 71 70 m 1H | 68 68 m 2H | 39 38 d 2H J 51 | 34 34 m 4H | 32 32 m 4H | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2c(c1)OC(F)(F)O2
ir: 2 2 2 2 17 2 5 4 6 4 5 3 6 7 13 79 13 2 1 8 22 100 69 27 2 5 5 1 1 8 5 5 5 8 2 2 2 3 2 1 2 4 2 2 5 3 3 2 3 2 2 1 2 4 3 57 4 4 9 3 3 3 2 1 2 2 2 2 15 2 2 4 3 5 6 40 13 5 14 41 15 3 5 4 3 3 10 15 10 2 3 2 1 2 7 3 3 90 73 22 13 3 0 2 3 2 0 12 4 2 2 2 2 3 6 18 7 3 3 7 9 4 2 4 8 7 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 3 23 3 3 61 13 4 3 3 5 13 2 2 3 2 2 1 1 2 2 2 16 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 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 1 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 2 6 8 42 66 18 13 4 2 3 5 2 2 13 14 3 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 20 | 77 77 dd 1H J 20 77 | 71 71 d 1H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)cc1
ir: 6 4 1 3 4 2 1 4 7 7 3 4 4 3 6 8 12 21 9 2 2 14 13 4 5 1 2 4 3 4 13 6 6 5 2 2 5 6 7 36 23 31 7 6 6 4 2 3 3 2 2 3 5 3 7 36 10 7 6 3 1 0 2 2 1 1 1 4 6 10 7 2 1 1 1 4 1 3 9 1 1 0 0 1 1 1 1 2 2 6 3 6 0 1 1 1 1 3 6 5 3 4 3 2 1 3 11 3 3 2 3 1 5 2 2 61 16 6 12 6 8 7 7 18 6 17 5 4 2 2 3 1 3 4 7 9 1 3 3 2 1 8 22 100 6 7 43 11 8 5 8 36 39 4 3 2 2 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 2 3 5 4 2 2 1 2 3 5 6 20 23 9 57 16 8 5 2 1 2 2 1 2 1 1 1 1 1 5 1 2 1 2 4 4 4 6 5 22 8 7 8 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 m 2H | 74 74 dq 2H J 9 81 | 73 72 m 3H | 72 71 m 2H | 62 61 t 1H J 60 | 44 43 dt 2H J 9 60 | 39 39 s 2H | 38 36 m 4H | 26 26 dt 2H J 9 70 | 20 19 m 3H | 17 16 dddd 2H J 57 67 82 106
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.