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Cc1cc(O)ccc1-n1c(C)ccc1C
ir: 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 4 3 1 1 2 3 1 1 1 1 1 9 2 1 1 1 2 2 2 1 1 1 1 0 0 1 2 0 4 14 0 2 2 1 0 1 1 0 0 1 1 0 1 2 3 1 1 1 1 0 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 3 4 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 3 4 1 1 15 1 1 1 1 1 1 1 1 2 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 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 4 3 1 3 4 9 15 5 1 1 2 39 100 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 d 1H J 82 | 68 68 dd 1H J 20 82 | 65 65 m 1H | 58 57 s 1H | 56 56 s 2H | 23 23 s 3H | 21 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H]1CCC[C@@H]1Nc1nc2cccnc2s1)c1ccccc1-n1nccn1
ir: 3 6 4 4 6 4 4 2 2 3 6 2 3 2 3 13 3 16 4 9 4 14 8 7 1 5 13 18 12 10 11 4 9 20 14 25 20 31 9 10 11 25 72 32 10 12 8 4 6 2 2 3 1 1 2 2 1 0 2 3 1 4 9 7 1 1 2 3 1 1 1 2 4 2 2 8 4 2 1 2 5 3 18 5 1 2 1 1 1 1 1 2 0 0 2 1 10 4 2 2 1 6 5 1 2 3 12 8 4 2 2 1 2 1 3 9 5 5 5 4 5 6 4 10 24 23 16 10 4 7 7 2 1 7 69 6 9 28 5 10 3 10 17 13 100 26 54 40 17 9 4 14 3 3 14 1 15 7 2 2 8 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 2 1 1 1 3 2 2 5 6 3 10 11 28 9 3 3 2 2 1 1 1 2 1 2 1 1 1 2 2 4 6 4 6 17 23 22 38 7 11 7 3 3 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 dd 1H J 21 43 | 81 81 m 3H | 80 80 dd 1H J 21 71 | 79 78 dd 1H J 14 83 | 76 75 d 1H J 71 | 75 74 m 2H | 74 73 td 1H J 14 72 | 61 61 d 1H J 57 | 41 40 m 2H | 21 20 m 2H | 19 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCn1cnc2ccccc21
ir: 5 11 20 39 24 23 38 17 22 16 14 24 23 25 26 11 5 4 8 4 6 5 4 4 4 5 5 5 6 6 5 13 5 9 4 6 17 18 18 42 88 25 35 44 12 10 5 0 3 7 6 3 6 5 4 2 5 7 4 2 4 11 8 8 4 8 9 8 7 11 5 5 8 33 8 12 6 6 4 2 5 5 3 3 4 5 2 2 10 23 15 6 8 16 4 9 16 13 20 13 30 22 5 9 13 7 2 8 8 8 3 6 8 19 21 18 33 24 55 26 29 21 10 12 20 13 8 9 22 9 10 17 16 21 21 19 13 41 28 22 21 21 43 23 30 5 12 7 12 10 27 96 15 6 5 6 4 2 3 4 4 9 3 4 3 1 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 3 4 2 3 4 4 2 2 4 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 5 4 6 5 7 11 8 7 7 6 4 7 8 12 26 62 19 31 100 41 18 12 5 6 6 5 4 5 6 3 2 4 5 3 2 4 4 3 2 4 3 2 2 3 4 2 2 4 3 2 2 4 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 80 80 d 1H J 9 | 78 78 dd 1H J 16 64 | 75 74 m 1H | 74 73 m 8H | 52 51 s 2H | 42 41 dtd 1H J 8 65 147 | 40 39 m 2H | 37 35 m 6H | 35 34 dd 1H J 56 111 | 22 21 dq 1H J 67 123 | 19 18 dq 1H J 66 123 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1ccccc1OCC1CC(I)CC1I
ir: 0 0 1 2 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 17 100 12 2 2 2 2 1 1 1 1 1 0 1 3 1 1 1 1 3 2 2 4 3 2 2 2 5 5 2 1 1 8 2 3 1 1 3 2 2 4 2 2 2 3 2 1 2 1 1 1 1 3 1 3 2 1 1 1 2 3 1 2 8 5 6 2 3 5 3 2 1 2 1 0 1 1 2 3 3 2 4 2 1 2 1 1 0 1 1 1 0 1 2 2 40 2 0 31 1 1 1 0 1 1 1 7 29 4 1 1 1 0 1 0 1 2 6 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 2 1 2 6 6 7 5 4 6 12 21 27 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 13 76 | 73 72 td 1H J 14 74 | 69 69 ddd 2H J 12 66 78 | 43 42 dd 1H J 35 106 | 41 40 dd 1H J 35 107 | 40 39 m 2H | 27 27 m 1H | 26 25 qt 1H J 35 53 | 25 24 m 2H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)CC(=O)Nc1ccc(N2CCOCC2)c(F)c1
ir: 3 3 1 3 4 6 5 2 3 3 2 2 2 2 2 4 6 8 5 6 5 5 4 5 2 3 4 4 2 5 8 7 6 7 13 15 15 8 5 3 3 3 3 2 2 2 4 8 10 3 7 8 10 8 18 1 5 11 9 7 3 1 1 1 3 4 2 6 3 3 3 1 6 12 2 1 1 1 1 1 1 1 1 2 3 4 2 4 3 4 2 4 4 3 2 9 1 3 6 4 1 1 3 3 6 15 19 3 3 2 2 2 4 3 2 2 2 2 2 5 3 4 1 7 12 4 7 8 4 3 3 2 2 1 1 2 2 2 2 3 18 17 4 7 7 15 49 15 6 5 10 27 100 8 22 7 2 0 1 2 1 0 1 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 7 5 2 2 2 1 2 3 5 25 23 11 11 13 4 4 2 1 2 2 2 1 1 1 1 1 1 2 2 1 2 2 4 6 5 18 22 11 10 3 2 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 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 dd 1H J 22 86 | 73 72 dd 1H J 21 121 | 72 71 dd 1H J 47 86 | 40 40 s 2H | 39 39 m 4H | 36 35 s 2H | 33 32 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(Cl)c2)cnn1-c1ccc(Cl)cc1
ir: 22 48 10 11 7 5 6 7 6 3 5 5 4 16 8 18 15 7 16 10 3 2 6 4 1 8 2 20 13 7 6 8 4 7 5 9 8 2 2 3 3 2 2 7 7 5 28 29 12 6 7 18 25 39 63 17 14 21 7 3 3 5 2 1 2 8 18 31 16 10 8 14 14 53 2 3 5 3 2 2 4 5 16 18 29 8 26 10 14 18 10 15 17 15 11 26 10 24 26 17 15 10 28 20 8 17 4 4 3 5 4 3 3 4 4 6 19 4 2 5 5 3 2 14 13 8 6 11 28 65 31 3 3 3 3 6 100 10 5 3 3 39 10 21 13 24 6 5 18 19 30 17 23 19 24 68 6 52 7 2 2 2 4 14 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 4 2 2 3 7 3 5 11 3 3 4 6 7 10 31 11 43 85 36 28 13 6 6 5 3 1 1 2 2 1 2 2 1 2 3 2 1 1 3 2 2 9 16 18 41 7 4 3 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 81 81 s 1H | 76 75 m 4H | 75 74 m 2H | 69 68 m 1H | 36 35 m 6H | 34 33 ddd 2H J 52 79 121 | 26 26 s 2H | 25 24 m 5H | 21 20 ddt 2H J 53 80 117 | 18 17 ddt 2H J 52 79 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc3n(c2c1)C(=O)N[C@@H]3Cc1ccc(Br)cc1
ir: 2 2 2 2 2 2 3 7 7 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 14 5 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 6 17 4 2 2 2 2 2 2 2 2 2 2 2 5 2 2 2 5 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 4 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 3 4 2 3 2 2 2 2 2 2 2 5 2 2 2 2 2 2 2 3 2 2 2 18 3 2 2 2 2 4 4 3 1 2 3 3 100 5 0 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 9 12 8 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 8 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 76 dd 1H J 7 15 | 75 75 d 1H J 77 | 74 73 dt 2H J 9 80 | 73 72 m 2H | 72 71 ddd 1H J 8 16 71 | 66 66 d 1H J 64 | 54 54 q 1H J 60 | 33 32 ddt 1H J 9 58 150 | 30 30 ddt 1H J 8 57 149 | 24 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C(C)/C=C/C(F)=C(/C)c1cc2c(cc1OCC)OC(C)(C)C=C2c1ccccc1
ir: 5 5 13 8 7 9 10 8 5 13 8 4 4 6 4 3 2 4 4 3 1 3 4 2 3 4 4 5 7 5 18 15 24 8 3 1 4 9 12 8 42 39 13 12 10 5 3 3 2 3 3 1 2 4 3 3 4 8 4 3 4 6 25 28 21 46 58 22 21 16 10 8 14 32 8 20 19 21 54 17 9 6 4 3 8 5 1 2 5 3 2 7 5 6 3 3 4 5 4 2 7 10 13 16 7 5 10 3 5 5 10 18 15 11 12 14 30 12 17 9 12 6 6 7 7 5 3 11 8 12 8 13 22 6 28 27 11 19 13 8 5 10 15 100 4 4 5 4 5 15 10 19 9 77 18 43 5 1 4 41 19 5 5 4 46 1 4 3 3 1 2 4 2 1 2 4 3 1 2 3 2 1 2 3 1 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 1 2 5 5 7 4 5 3 3 5 5 7 0 5 10 18 36 83 59 75 91 46 14 7 6 8 5 2 3 3 2 3 2 2 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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: 75 73 m 6H | 73 72 m 1H | 68 66 ddq 1H J 10 160 232 | 65 65 s 1H | 61 61 hept 1H J 11 | 58 58 p 1H J 14 | 43 42 q 2H J 62 | 42 41 q 2H J 63 | 25 24 dd 3H J 9 37 | 21 21 m 3H | 16 15 t 3H J 63 | 15 15 d 5H J 10 | 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.
CCC(=O)C1CN(C(=O)OCc2ccccc2)CCC1=O
ir: 4 5 6 13 15 27 14 36 40 42 9 12 45 24 8 7 7 9 5 8 7 8 7 2 2 6 5 11 8 37 12 4 9 9 6 4 5 19 18 55 25 19 6 3 6 4 6 10 7 3 4 2 3 5 2 1 3 4 2 2 8 8 5 9 7 4 5 3 3 4 4 3 4 4 3 1 6 4 2 1 2 3 1 1 3 3 2 6 22 21 2 2 6 9 4 6 7 14 21 6 4 5 4 4 5 10 5 5 5 7 6 10 13 8 9 32 32 21 17 18 26 33 20 28 38 20 21 8 12 11 17 4 8 5 28 39 10 14 14 8 38 28 31 52 99 43 22 15 7 7 40 42 15 0 2 3 2 0 1 2 2 0 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 4 5 2 6 6 7 4 13 8 4 5 13 15 15 13 31 18 32 95 100 24 8 8 4 3 3 2 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 5H | 52 51 s 2H | 39 38 dd 1H J 47 116 | 37 36 m 4H | 29 28 ddd 1H J 40 61 145 | 28 27 ddd 1H J 42 62 147 | 26 25 m 1H | 25 24 dq 1H J 78 155 | 11 10 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
ir: 5 4 8 9 12 14 15 5 6 4 12 5 3 3 4 5 5 3 17 18 10 4 4 6 6 14 27 41 17 12 9 9 5 3 6 7 9 12 9 4 8 9 4 2 13 4 2 4 15 27 3 2 1 6 3 3 20 39 13 9 12 4 2 3 3 5 25 10 22 85 13 7 8 4 3 2 3 3 2 5 3 1 2 2 2 1 2 25 31 8 4 2 5 18 3 30 10 6 7 9 14 47 34 18 9 10 5 2 4 11 1 1 1 4 3 5 8 10 5 8 11 13 7 5 3 3 10 9 3 17 14 5 5 1 2 1 7 3 5 68 3 3 3 1 0 3 8 13 35 88 11 5 17 1 2 2 3 7 27 17 5 0 3 17 100 31 4 1 1 1 1 1 1 0 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 3 1 0 2 1 0 1 2 1 1 1 6 6 19 17 18 23 90 32 9 3 5 2 1 1 1 2 1 2 2 2 6 2 1 3 1 4 2 3 4 7 28 80 24 88 34 5 6 2 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H | 78 77 dd 1H J 12 96 | 77 76 dd 1H J 13 90 | 75 75 m 2H | 75 74 dd 1H J 88 95 | 74 73 m 2H | 71 71 s 2H | 69 69 s 1H | 39 38 s 3H | 38 38 s 5H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCCO)CC1
ir: 1 1 1 1 1 1 0 0 1 1 1 1 2 3 2 3 1 2 3 2 2 3 8 9 10 18 4 4 11 2 1 0 3 1 0 1 1 3 1 1 1 3 31 4 2 2 1 1 4 2 0 0 1 0 0 0 3 1 1 11 9 1 1 7 6 1 2 0 1 5 1 1 11 1 2 3 1 1 1 3 46 7 12 6 16 23 7 3 1 2 3 10 3 4 7 8 25 30 5 7 5 5 3 3 1 1 1 0 1 0 1 1 1 1 1 1 0 1 2 1 0 0 1 1 1 1 1 1 1 2 1 1 1 0 1 3 1 1 4 1 0 0 1 2 12 3 1 0 5 8 1 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 0 1 1 2 0 2 6 3 3 36 9 1 9 42 100 9 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 ddd 1H J 15 72 84 | 69 69 m 2H | 69 68 dd 1H J 15 72 | 43 43 t 1H J 59 | 39 38 s 2H | 37 36 q 2H J 62 | 30 30 m 4H | 28 27 m 4H | 27 27 t 2H J 63 | 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.
c1ccc2c(c1)c1c(N3CCCC3)nc(N3CCCC3)nc1n2CCN1CCCCC1
ir: 2 2 5 1 2 1 2 1 3 1 2 1 1 1 1 1 1 2 2 1 2 13 4 2 1 2 2 1 1 2 1 1 2 6 4 1 2 2 2 1 8 2 2 8 48 4 2 2 1 4 1 1 1 1 3 3 2 2 1 2 2 2 2 2 1 2 1 4 1 1 1 2 1 1 1 3 3 2 1 1 5 2 3 2 2 4 5 5 3 3 5 3 2 6 2 1 2 1 3 1 1 2 3 2 2 6 4 3 1 2 2 2 5 4 3 2 4 3 2 4 7 1 2 3 2 2 1 1 1 3 1 1 1 2 2 9 3 3 3 23 3 0 2 2 2 2 3 2 2 20 1 5 100 55 3 2 19 2 1 0 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 2 1 7 2 2 16 18 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 1H | 76 75 m 2H | 75 74 td 1H J 17 69 | 45 44 t 2H J 44 | 38 38 m 4H | 38 37 m 4H | 29 28 t 2H J 44 | 24 24 m 4H | 20 20 qt 8H J 14 27 | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C2CCN(C(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)CC2)C(=O)C1
ir: 7 4 6 6 4 5 4 7 2 3 2 1 2 3 2 2 2 1 2 12 3 3 4 6 9 11 12 8 20 40 43 21 19 10 10 6 5 6 7 9 19 11 5 4 10 4 2 2 1 3 4 6 6 2 1 2 4 2 5 2 2 4 4 3 5 5 3 8 2 5 1 1 6 2 3 2 2 8 5 3 3 11 7 2 2 4 7 4 7 13 8 5 1 1 2 3 6 6 4 6 2 2 2 4 2 3 2 8 9 14 12 3 4 2 4 7 7 7 11 7 4 24 27 9 3 5 8 8 7 5 5 4 6 1 9 12 8 5 2 4 7 7 25 42 34 42 21 7 16 100 56 5 6 3 1 0 1 1 1 0 1 2 1 1 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 1 4 5 2 2 3 3 3 3 14 23 18 13 24 18 7 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 2 2 2 1 4 43 36 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 73 d 4H J 41 | 73 73 m 1H | 59 58 d 1H J 104 | 51 51 s 2H | 45 44 m 2H | 36 35 m 4H | 35 34 ddd 2H J 53 81 121 | 34 33 s 2H | 29 28 m 2H | 24 24 s 2H | 21 20 ddt 2H J 57 81 121 | 18 17 ddt 2H J 57 81 121 | 10 10 d 9H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2cccc(Br)c2)s1
ir: 5 5 1 10 5 3 0 2 4 2 1 2 2 1 1 3 4 3 3 5 3 2 8 11 12 15 12 12 23 9 9 31 9 5 5 5 6 1 3 21 29 10 6 7 7 29 77 30 16 9 6 6 4 1 2 5 3 3 7 13 13 13 7 2 9 11 18 51 10 8 4 2 2 3 2 7 4 3 5 4 12 56 6 18 13 8 7 7 4 62 13 3 2 2 2 1 1 3 2 2 1 2 7 21 10 12 37 12 16 3 1 2 5 9 4 2 2 3 3 2 2 2 3 3 9 2 3 2 1 2 1 2 1 1 3 5 8 2 3 21 30 37 5 3 2 2 3 2 2 2 6 17 21 23 27 7 3 3 2 8 3 2 2 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 3 2 2 2 2 2 2 2 1 3 4 4 3 27 32 42 100 78 10 5 7 5 2 2 3 2 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 99 99 s 1H | 78 77 t 1H J 21 | 77 77 ddd 1H J 13 22 75 | 76 76 d 1H J 68 | 75 75 m 2H | 73 73 t 1H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC(=O)c1cnc(C(=O)c2cccc(OC)c2)c2cc(OC)c(OC)cc12
ir: 2 5 0 3 7 6 4 5 6 3 6 6 2 4 2 7 3 3 2 4 5 6 9 4 4 20 4 16 16 10 28 1 5 14 6 11 30 64 41 17 35 16 4 13 5 5 5 10 12 3 11 100 7 6 4 11 14 18 7 4 2 5 5 10 5 11 8 1 18 16 34 7 12 9 12 10 9 3 2 3 2 1 2 2 2 3 6 20 2 2 6 5 2 2 4 9 9 10 7 4 2 2 1 3 5 25 15 7 10 6 8 21 3 8 4 6 15 7 10 13 10 8 19 28 6 60 29 18 14 7 11 13 8 4 3 3 3 3 3 3 10 19 28 26 33 21 43 25 25 14 10 6 9 14 5 7 20 4 16 26 29 6 4 2 2 3 2 1 4 6 2 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 3 4 4 3 3 2 3 4 2 9 22 18 14 20 60 52 12 3 3 2 4 4 3 2 3 2 3 2 3 3 3 3 3 3 10 6 7 22 36 45 12 15 6 2 1 3 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 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 90 89 s 1H | 86 86 s 1H | 82 81 t 1H J 62 | 78 78 s 1H | 78 77 ddd 1H J 10 22 79 | 75 74 t 1H J 79 | 74 73 t 1H J 20 | 70 70 ddd 1H J 10 18 81 | 42 42 q 2H J 66 | 40 40 d 2H J 61 | 39 38 s 5H | 38 38 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(Cl)n(C2CCCCC2)c1-c1ccccc1
ir: 2 2 1 1 2 2 2 12 9 3 2 9 4 2 3 5 4 2 1 1 2 2 1 1 2 2 1 3 3 3 8 14 5 3 11 7 5 15 24 34 33 43 48 15 8 4 6 4 3 1 3 11 8 4 4 6 7 13 4 3 1 2 2 2 3 2 7 9 10 23 10 2 10 3 5 4 6 6 9 7 5 2 2 25 1 1 2 2 5 17 4 8 7 4 9 3 5 2 3 2 3 5 2 6 9 10 11 5 3 18 13 39 35 78 48 34 20 31 24 3 6 6 5 6 7 6 3 5 3 5 4 3 2 5 13 28 8 5 4 3 5 12 33 29 16 17 8 3 2 3 2 3 2 16 3 2 1 2 2 1 1 2 2 1 1 1 2 29 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 2 4 2 1 6 5 10 8 5 6 6 10 15 35 14 4 13 15 12 100 49 29 36 42 29 14 7 5 3 1 3 3 2 1 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 75 74 ddt 2H J 8 60 76 | 74 73 m 1H | 46 45 p 1H J 43 | 44 43 q 2H J 64 | 21 20 ddt 2H J 43 66 122 | 18 17 ddt 2H J 42 71 122 | 17 16 m 2H | 16 15 m 4H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1(CCNCC2CCC2)c2cc(OC)ccc2CCC12OCCO2
ir: 1 2 1 1 1 4 3 3 2 3 14 19 6 5 7 4 3 2 2 2 4 7 5 3 4 14 4 2 1 2 1 6 1 2 2 1 2 1 3 3 4 13 22 23 22 8 8 5 3 5 10 5 12 12 10 10 3 1 4 8 9 20 6 19 26 16 9 26 15 16 12 19 9 6 12 6 6 3 1 3 2 2 2 1 2 2 5 2 7 3 3 3 3 3 7 24 7 4 1 4 3 22 6 12 2 7 6 7 13 16 25 36 25 21 30 12 8 13 13 7 4 6 6 5 8 11 5 23 9 6 6 5 5 3 5 7 10 1 4 11 19 9 4 6 6 2 2 2 2 2 13 14 2 2 4 6 3 1 2 1 1 1 1 1 5 5 1 2 0 1 1 1 0 1 0 0 0 1 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 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 1 1 1 3 3 3 4 7 4 8 5 18 7 4 15 24 12 42 38 26 8 5 5 6 4 2 3 5 2 2 2 1 0 2 2 6 9 62 100 23 6 2 3 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 70 69 m 1H | 68 68 dd 2H J 21 61 | 57 56 ddt 1H J 69 106 159 | 52 52 dq 1H J 14 161 | 51 51 dq 1H J 13 106 | 40 39 m 2H | 39 38 m 2H | 38 38 s 2H | 31 30 m 1H | 29 27 m 5H | 27 26 dd 2H J 38 50 | 26 25 ddt 1H J 15 68 154 | 21 20 m 3H | 19 18 dt 1H J 53 143 | 18 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc([C@H](C)NC(=O)C2C3CC3CN2Cc2ccc(C(F)(F)F)cc2)cc1
ir: 15 7 6 7 7 6 12 4 2 3 6 3 8 5 12 6 8 33 5 6 5 3 3 4 7 4 4 2 5 6 4 10 11 6 10 6 12 22 13 4 8 28 19 20 7 13 7 1 3 5 3 3 5 25 54 100 31 6 9 3 3 2 2 2 2 3 9 3 3 3 13 4 4 3 2 8 13 8 12 4 14 5 4 8 32 7 5 3 2 3 10 8 5 3 4 4 4 11 64 46 14 5 1 1 5 2 1 3 5 16 10 25 88 14 3 14 30 21 6 11 7 8 10 10 5 17 27 17 20 12 10 8 4 1 1 2 3 2 3 4 18 49 62 45 52 59 21 14 21 15 5 16 7 5 2 3 3 1 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 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 3 2 1 1 1 1 2 2 2 3 3 4 5 8 9 18 5 33 76 50 4 4 3 4 2 2 2 2 3 2 1 2 2 1 1 2 2 2 4 3 8 11 61 59 7 2 2 2 2 1 1 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 m 2H | 76 76 dq 2H J 14 76 | 74 73 m 4H | 68 67 d 1H J 88 | 51 50 m 1H | 39 39 s 2H | 38 38 dt 1H J 8 126 | 36 36 dt 1H J 8 126 | 35 35 d 1H J 53 | 32 31 dd 1H J 25 109 | 28 27 dd 1H J 24 108 | 22 21 dq 1H J 51 70 | 16 15 m 4H | 11 11 dt 1H J 52 75 | 9 8 dt 1H J 51 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1C1OCC(O)CO1
ir: 10 18 3 4 3 3 2 2 1 2 2 2 9 10 1 3 2 1 1 2 1 1 2 1 1 2 1 2 1 2 3 2 2 3 2 2 1 2 2 0 2 23 23 13 8 6 5 8 4 2 1 3 1 0 3 1 2 1 4 3 4 1 4 2 1 1 2 2 2 1 4 4 11 2 7 38 30 6 3 2 2 3 2 8 7 24 59 80 17 4 6 7 4 4 2 2 2 1 1 1 1 1 2 3 5 2 1 2 3 1 2 1 1 2 5 2 2 3 2 2 5 2 2 2 3 4 3 2 3 1 1 1 1 1 1 1 2 6 2 2 1 1 3 7 3 2 1 1 3 13 4 1 1 1 1 2 1 1 1 3 2 1 1 1 1 2 2 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 1 2 1 1 1 2 2 5 12 7 8 30 24 6 6 3 2 4 4 16 100 27 6 3 1 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 ddd 1H J 7 15 79 | 73 72 ddd 1H J 15 75 82 | 70 69 m 2H | 57 57 d 1H J 7 | 41 40 m 4H | 40 39 dp 1H J 48 58 | 37 37 dd 2H J 48 114 | 34 34 d 1H J 57 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(NC3CCC3)c1=O)N2
ir: 6 6 7 6 4 35 16 6 4 4 2 8 12 7 5 6 2 4 10 9 3 3 5 5 9 5 5 6 3 4 10 6 12 1 6 7 13 11 11 8 13 4 17 17 21 6 3 1 1 1 2 2 4 8 29 49 17 8 6 8 30 29 16 69 25 15 5 7 2 4 4 4 18 91 12 18 22 6 8 11 4 4 4 8 17 16 6 10 21 22 22 13 10 23 8 5 7 5 6 17 14 13 20 9 7 6 4 3 2 2 2 6 25 19 6 8 11 28 56 32 17 33 23 13 7 5 2 4 3 6 5 20 8 5 2 4 3 2 17 8 8 8 6 8 3 3 4 5 1 3 19 7 3 5 2 20 10 16 14 22 1 1 1 8 30 4 2 1 1 1 1 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 0 1 2 1 1 2 2 2 4 5 4 0 6 4 6 13 42 29 35 13 12 4 2 4 3 2 3 1 2 2 2 2 3 2 10 25 21 13 8 7 13 100 77 45 55 23 7 4 4 2 2 1 3 1 1 1 2 1 1 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 80 79 d 1H J 22 | 79 79 d 1H J 79 | 78 78 dd 1H J 16 85 | 77 77 dd 1H J 15 77 | 75 75 td 1H J 16 79 | 72 72 dd 1H J 22 79 | 72 71 td 1H J 15 83 | 68 67 s 2H | 48 48 d 1H J 51 | 33 32 dp 1H J 41 53 | 20 18 m 5H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](c2ccccc2F)C1
ir: 10 3 9 12 22 18 6 8 18 21 50 38 3 5 5 7 6 11 7 5 4 3 3 4 4 3 3 3 3 2 4 4 2 2 2 4 5 5 12 7 8 43 72 90 9 8 3 5 4 4 4 16 15 9 6 3 5 13 20 16 67 65 23 21 7 5 4 5 5 17 20 16 37 17 14 12 10 19 19 8 4 12 25 13 4 4 5 6 3 3 10 8 3 4 18 11 4 4 6 4 6 5 9 7 5 4 9 6 3 3 6 11 7 15 35 22 7 13 7 15 4 18 9 38 12 27 20 12 14 18 19 52 41 100 70 50 34 15 7 4 4 4 11 8 9 8 3 8 30 16 69 96 1 8 5 1 2 5 6 2 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 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 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 4 2 3 6 3 2 4 5 6 2 5 12 6 11 6 33 43 18 20 62 34 7 5 7 5 3 4 6 4 4 6 11 52 53 35 17 16 23 9 7 4 16 20 5 4 3 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1; 1HNMR: 74 73 m 2H | 72 71 m 2H | 40 40 dd 1H J 16 119 | 38 37 m 2H | 36 35 m 2H | 33 32 ddtd 1H J 7 18 36 55 | 26 26 d 2H J 59 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1Cc1cncnc1
ir: 3 1 3 2 2 3 3 3 1 1 3 2 1 2 2 2 2 3 3 1 2 2 1 2 3 2 3 1 1 1 1 3 2 6 10 100 12 3 5 11 7 1 1 2 9 11 6 1 2 2 3 5 15 9 34 24 6 2 3 2 2 1 3 3 4 7 14 25 25 8 2 3 2 1 1 1 1 1 1 6 2 2 3 2 2 1 4 5 2 1 1 1 1 1 1 2 2 7 23 34 7 5 4 4 4 6 2 1 0 1 4 12 6 5 1 1 1 2 7 8 6 6 3 7 9 4 2 1 1 1 1 1 1 1 1 0 0 1 1 1 9 7 3 1 0 3 5 15 15 4 2 1 2 7 9 65 15 3 36 7 2 1 5 45 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 12 16 24 36 17 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 t 1H J 17 | 85 85 dt 2H J 9 17 | 75 74 m 2H | 73 72 m 3H | 70 70 m 2H | 69 69 dd 1H J 21 78 | 61 61 dd 1H J 13 80 | 55 55 d 1H J 13 | 52 51 dt 4H J 10 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2cc(CCOCc3ccccc3)[nH]n2)cc1
ir: 1 2 4 3 4 4 5 8 4 2 4 1 1 2 5 6 11 11 4 2 1 2 2 1 0 2 2 2 6 4 9 10 5 5 4 1 2 6 41 43 31 13 3 1 4 6 2 2 5 53 32 5 3 6 50 100 13 7 4 0 2 2 3 8 4 5 8 17 24 16 2 3 22 17 6 10 5 4 2 2 1 1 1 1 1 2 7 5 6 8 2 2 14 2 2 2 3 4 7 4 3 28 86 7 3 1 1 2 2 2 1 1 2 2 2 2 4 4 3 8 9 4 3 5 10 10 9 8 7 1 3 3 3 4 11 11 17 4 8 37 20 8 6 11 3 7 23 26 3 4 9 38 8 4 2 3 2 5 91 5 2 0 1 3 4 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 1 2 3 4 7 5 14 41 96 54 23 33 5 6 4 2 1 3 4 2 3 1 2 1 2 6 3 1 1 1 3 3 5 17 49 31 16 13 5 2 2 3 2 1 1 1 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 98 s 1H | 76 75 m 2H | 75 74 m 2H | 74 73 m 5H | 66 66 d 1H J 10 | 45 45 t 2H J 8 | 39 38 t 2H J 53 | 29 28 td 2H J 9 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCC(=O)N[C@@H]1CCc1cc(-c3cc(F)c(F)cc3F)ccc12
ir: 1 1 1 3 1 3 2 3 5 6 7 2 1 2 4 2 0 1 10 4 1 2 5 5 2 7 7 10 31 33 16 10 17 4 3 2 4 3 8 7 3 2 8 7 6 1 3 13 5 1 2 2 2 0 5 36 8 5 2 0 2 4 3 3 11 1 4 77 37 16 9 1 1 2 1 2 2 3 1 1 1 1 1 1 7 3 1 1 1 1 1 7 5 7 1 4 7 2 4 1 1 1 1 2 2 2 3 4 6 7 3 1 1 2 5 10 7 7 3 3 5 7 13 8 10 6 9 2 7 9 6 6 5 3 9 37 6 4 2 8 1 0 0 2 3 1 3 2 2 16 17 32 40 31 100 7 4 2 2 2 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 2 2 1 2 2 2 3 2 3 3 4 1 2 13 22 4 16 78 20 10 2 1 1 2 1 1 2 2 1 0 1 1 1 1 3 1 1 3 5 6 55 54 20 18 19 13 7 3 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dt 1H J 47 122 | 74 73 dt 1H J 20 82 | 73 72 d 1H J 83 | 71 70 td 1H J 43 121 | 71 70 tt 1H J 9 20 | 58 58 d 1H J 84 | 36 36 ddd 1H J 34 61 84 | 30 29 dddd 1H J 9 59 84 152 | 29 28 m 1H | 26 25 ddd 1H J 49 75 154 | 25 24 ddd 1H J 49 75 154 | 23 22 ddd 1H J 49 75 143 | 22 21 m 2H | 19 18 ddt 1H J 60 84 142 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccc(Br)cc2)cs1
ir: 9 2 1 3 6 3 1 4 5 5 5 14 14 5 6 3 5 2 1 3 4 1 1 4 4 2 4 4 5 2 2 6 7 3 5 8 5 1 2 4 4 2 8 10 14 7 15 10 6 7 28 25 6 6 11 4 65 40 9 7 4 4 6 6 2 0 3 5 9 10 5 5 2 3 6 13 3 15 30 19 8 13 15 12 15 8 3 5 5 4 7 5 3 7 7 9 26 18 11 10 4 3 6 4 4 7 20 8 5 3 4 3 2 3 4 4 7 6 7 13 11 6 8 9 9 15 7 20 26 8 8 5 7 8 8 5 11 37 44 32 5 8 6 3 6 5 5 4 6 29 25 6 6 8 4 1 2 5 3 1 2 4 3 1 5 5 3 0 2 4 2 0 2 4 2 1 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 4 1 2 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 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 1 1 3 3 2 1 3 3 1 2 3 3 1 2 4 5 10 5 7 5 3 6 8 10 7 9 12 9 7 12 11 19 28 99 100 35 31 18 21 8 11 6 6 4 2 3 4 3 3 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 m 2H | 76 76 m 2H | 75 75 s 1H | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1ccc(F)c(N2CCOCC2)c1
ir: 7 18 24 10 7 8 11 15 4 1 1 2 2 3 3 4 3 12 9 9 6 5 3 1 2 3 6 5 4 2 4 2 8 4 3 5 7 9 34 80 13 17 6 4 5 4 7 4 3 2 7 3 2 3 7 9 10 3 2 0 1 4 1 1 5 3 5 8 16 8 3 2 4 9 3 2 1 2 2 1 1 1 0 1 6 6 7 11 11 3 4 4 2 2 3 3 4 3 2 3 8 3 1 2 3 6 1 1 2 4 3 2 7 2 1 2 2 1 1 2 4 2 1 3 4 1 0 2 2 5 2 6 21 12 20 25 100 22 10 10 52 24 5 3 1 13 3 17 4 4 2 1 4 20 10 4 2 1 2 1 1 1 2 1 14 1 1 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 2 2 1 1 1 3 3 7 7 10 14 12 11 4 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 3 20 64 55 54 15 7 5 6 7 3 2 1 1 1 0 1 3 2 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 78 dd 1H J 9 19 | 78 77 dd 1H J 20 88 | 75 74 s 1H | 71 70 m 3H | 67 67 m 1H | 45 45 dddd 1H J 11 19 31 84 | 43 42 d 1H J 78 | 39 39 m 4H | 32 32 m 4H | 29 28 m 2H | 28 27 dd 1H J 9 147 | 17 16 m 2H | 15 14 m 2H | 11 10 d 3H J 15 | 10 10 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H]1CCCC[C@H]1Nc1nc2ccc(Cn3cnc4cc(F)cnc43)cc2s1
ir: 3 3 5 14 11 7 8 5 4 4 13 9 4 7 13 16 13 22 28 12 5 17 7 6 16 5 8 3 4 5 4 13 4 5 9 5 3 11 13 8 7 5 3 3 2 5 3 4 2 4 3 3 3 5 7 17 11 6 2 2 2 2 2 2 3 2 3 8 9 5 8 6 4 5 3 5 4 3 3 4 6 26 3 2 3 9 8 11 42 16 19 9 5 5 4 5 5 5 9 10 5 4 3 7 33 7 4 8 4 3 6 7 8 6 3 5 7 9 5 7 8 13 17 22 11 22 6 11 4 2 2 4 6 3 4 2 2 2 2 8 100 4 4 17 4 18 23 18 23 13 25 6 12 4 3 31 2 0 2 3 2 2 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 3 3 4 3 2 2 3 5 9 12 7 16 47 22 8 7 2 3 5 4 30 2 2 2 2 2 2 3 2 3 2 3 3 4 6 15 13 20 79 59 8 7 9 2 4 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 d 1H J 10 | 82 82 dd 1H J 16 141 | 77 76 dq 1H J 7 22 | 76 75 d 1H J 66 | 75 74 dd 1H J 17 122 | 73 73 ddt 1H J 8 19 66 | 56 56 q 2H J 9 | 54 54 d 1H J 74 | 39 38 m 2H | 33 32 d 1H J 55 | 19 18 m 2H | 18 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(C(=N)N)c(C)c1
ir: 7 5 3 5 5 6 8 7 7 11 8 18 6 13 8 4 4 9 5 4 6 4 4 5 5 6 6 5 4 5 6 5 3 4 4 3 4 4 4 4 3 4 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 3 5 8 25 8 4 5 3 3 5 4 5 5 6 4 3 3 3 5 5 3 3 3 3 3 19 8 4 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 9 7 5 6 3 4 3 4 3 3 3 3 3 3 3 4 4 3 6 20 11 3 3 4 3 4 4 4 4 3 3 5 17 9 6 8 19 52 34 16 8 7 7 3 4 3 3 48 3 4 4 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 3 2 2 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 3 3 2 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 5 3 3 3 3 3 3 4 3 6 5 7 16 8 3 3 4 3 4 3 4 3 3 3 3 3 3 10 62 4 12 9 4 3 2 4 4 3 2 4 5 0 53 100 14 5 3 2 2 4 3 2 3 4 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 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 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 71 70 s 1H | 68 68 s 2H | 47 47 s 2H | 23 23 d 9H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCN(C(=O)Cl)CC1
ir: 19 50 18 25 14 31 31 17 6 5 3 3 3 2 3 3 5 6 3 2 4 6 17 37 27 54 10 10 4 4 3 3 2 5 7 12 14 4 2 2 1 3 4 12 6 4 1 1 1 2 2 2 8 5 2 4 5 19 17 2 6 5 3 12 7 15 18 15 14 8 63 62 6 4 3 2 2 7 5 17 63 100 71 64 35 22 39 70 39 87 73 22 6 8 6 5 5 6 4 17 19 26 37 17 29 23 10 6 14 65 64 16 11 5 5 8 10 13 7 7 13 28 6 4 4 3 1 6 5 8 10 12 4 10 33 28 3 3 3 3 5 9 15 25 83 14 2 6 3 1 1 2 2 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 7 5 2 2 2 6 5 6 2 2 2 2 2 16 64 43 26 22 9 5 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 37 36 m 4H | 35 34 m 4H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)N(C/C=C/CBr)c2ccccc2N1c1ccccc1F
ir: 1 2 3 12 1 3 2 2 2 9 16 7 3 4 5 4 5 4 3 2 4 8 7 2 2 2 2 2 1 2 1 3 3 3 1 2 2 2 2 4 4 0 30 90 6 8 3 2 6 4 2 0 1 2 1 2 2 3 2 2 2 3 2 4 4 3 2 1 5 9 5 4 5 8 34 100 16 12 7 13 15 6 4 3 4 6 6 28 24 3 2 1 3 5 4 4 5 3 1 2 12 3 1 2 3 2 3 9 6 2 1 1 2 2 2 3 3 3 4 5 8 5 2 5 3 2 1 3 4 3 9 5 4 1 2 3 6 9 14 7 2 8 11 4 3 24 14 6 11 3 5 11 2 1 1 4 2 1 1 3 2 3 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 3 2 2 2 5 4 9 9 18 24 56 54 12 4 2 2 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 ddd 1H J 14 35 82 | 74 74 ddd 2H J 14 30 74 | 74 73 dtd 2H J 16 81 121 | 73 72 td 1H J 15 78 | 72 71 m 2H | 59 58 m 2H | 46 45 ddd 2H J 10 24 38 | 40 39 td 2H J 10 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CCN2CCC(N3CCc4ccc(Cc5ccccn5)cc43)CC2)cc1
ir: 15 6 17 15 7 6 3 4 6 5 5 3 10 7 8 6 11 5 7 11 10 3 3 2 2 11 26 22 6 2 3 7 4 18 8 12 20 13 18 10 10 11 4 4 3 5 4 6 11 15 16 15 27 22 100 90 28 11 9 6 3 2 3 5 12 6 14 19 59 25 12 7 15 14 4 3 5 11 11 40 34 26 17 8 17 45 16 18 7 43 25 7 7 17 8 9 15 43 11 23 6 8 7 3 6 3 7 4 6 4 3 6 16 15 5 7 4 3 6 5 5 4 6 5 8 16 9 12 10 14 7 7 6 24 31 12 39 31 18 8 4 5 8 33 16 5 9 31 21 9 14 11 16 6 24 15 88 81 12 2 1 13 56 14 2 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 3 5 13 9 6 3 3 5 4 12 17 26 25 95 88 75 20 13 9 6 6 4 3 3 2 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 dd 1H J 17 41 | 76 75 td 1H J 16 73 | 72 72 ddd 1H J 14 41 73 | 72 71 m 3H | 71 70 ddt 2H J 16 84 97 | 70 70 dt 1H J 9 82 | 68 68 ddt 1H J 10 19 82 | 67 67 dt 1H J 9 20 | 43 42 d 2H J 10 | 40 40 p 1H J 55 | 37 36 m 2H | 30 29 m 4H | 28 27 m 3H | 25 25 ddd 2H J 49 77 119 | 21 20 ddt 2H J 52 77 115 | 18 17 ddt 2H J 52 77 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(CC(F)(F)F)c1cc(O)c(Cl)cc1Cl
ir: 1 3 1 1 1 1 7 2 1 6 1 2 1 2 1 1 1 3 1 1 1 1 2 7 2 1 1 1 1 1 3 1 1 4 2 1 2 2 1 2 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 14 18 10 2 2 1 1 1 1 1 2 2 1 1 2 5 31 11 5 15 6 3 4 7 4 4 5 3 2 1 2 2 0 1 33 0 7 3 8 6 3 2 0 1 2 2 10 6 3 2 1 2 2 2 4 9 4 2 1 1 2 1 1 1 2 2 1 2 2 2 13 2 1 1 1 1 1 1 2 3 2 1 1 3 6 100 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 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 3 2 1 1 1 1 1 1 13 3 44 20 5 3 2 3 3 1 1 40 3 1 1 1 1 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 s 1H | 70 70 s 1H | 62 62 s 1H | 36 36 d 1H J 130 | 36 35 d 1H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC(=O)C1(O)CC=C(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F
ir: 26 17 8 8 11 9 4 15 8 7 3 4 7 1 4 6 4 2 5 6 2 2 4 2 4 2 5 6 2 1 2 1 2 1 2 3 25 30 19 10 7 13 10 9 9 8 4 1 7 1 1 3 1 2 2 5 4 2 1 1 2 2 4 3 5 8 34 13 13 3 2 1 7 10 1 2 1 2 6 2 2 1 2 5 2 7 6 3 4 5 17 41 13 13 5 3 2 1 3 1 1 1 2 3 0 1 3 4 6 2 2 3 5 10 29 7 1 10 7 6 2 3 7 7 3 15 1 11 6 20 4 1 11 7 12 1 1 2 6 1 5 6 12 55 16 5 18 5 4 2 2 2 6 3 2 14 2 1 9 3 1 2 3 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 4 2 2 1 4 1 5 5 9 14 13 19 32 16 3 4 5 1 2 100 22 4 4 1 1 2 1 1 1 1 2 2 1 2 2 14 22 10 14 3 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0; 1HNMR: 86 86 d 1H J 16 | 80 79 dd 1H J 16 121 | 77 76 d 1H J 22 | 74 74 dd 1H J 21 122 | 71 71 d 1H J 79 | 58 57 dtt 1H J 9 64 221 | 51 50 dqd 1H J 43 53 80 | 47 46 s 1H | 44 44 s 2H | 25 21 m 6H | 20 19 dddd 1H J 23 74 93 135 | 18 17 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)nc2NC[C@@H]1C
ir: 38 9 4 4 5 7 3 7 11 30 36 54 14 4 7 5 3 6 9 3 3 3 8 10 2 2 2 6 29 31 10 6 4 3 8 8 6 18 11 16 23 39 10 4 3 4 3 3 4 3 5 3 3 6 62 65 20 7 4 1 2 3 2 2 4 5 5 6 3 9 11 7 4 3 4 2 2 3 3 2 2 2 2 2 3 3 4 14 11 4 3 5 5 6 11 10 4 8 9 31 5 4 4 5 8 4 4 3 2 2 2 3 6 9 6 3 1 3 9 5 11 3 13 6 4 10 21 12 7 5 4 4 6 7 5 4 3 5 8 11 32 93 69 31 15 17 55 66 22 23 74 15 11 55 100 10 4 2 2 2 3 7 45 8 3 0 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 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 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 2 2 2 4 4 3 2 3 2 1 2 4 4 6 8 7 10 13 25 26 16 17 27 27 18 24 10 9 4 2 3 4 2 1 3 3 2 1 3 4 1 3 8 6 7 48 52 62 58 24 3 4 3 2 3 2 2 2 2 1 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1; 1HNMR: 81 81 s 1H | 79 79 d 1H J 84 | 77 77 t 1H J 7 | 76 75 d 1H J 84 | 64 64 t 1H J 44 | 48 47 qdd 1H J 32 59 73 | 44 43 m 1H | 39 38 ddd 1H J 32 45 132 | 37 36 ddd 1H J 45 60 134 | 23 23 s 2H | 16 16 m 2H | 14 13 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)OC2CCN(CCc3c(C)[nH]c4ccccc34)C2)cc(OC)c1OC
ir: 6 5 10 2 17 5 5 5 8 4 4 2 5 3 4 4 2 3 2 1 2 8 6 5 8 3 8 36 2 3 4 2 1 2 4 1 1 2 2 0 3 17 100 12 3 1 1 2 1 2 1 2 3 2 4 7 4 2 2 1 3 3 4 3 5 3 3 13 18 9 5 2 3 8 6 6 3 3 18 21 6 4 1 3 13 3 20 3 3 5 1 1 4 14 2 1 6 4 8 16 6 4 2 4 8 5 6 30 53 35 8 5 3 3 2 1 3 2 3 5 7 6 4 16 3 6 16 7 9 7 3 3 4 25 3 1 3 4 2 9 3 2 1 3 2 8 64 38 6 1 1 2 2 6 18 10 2 0 1 2 2 9 2 18 3 0 1 1 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 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 3 2 2 5 2 1 4 5 4 8 17 6 26 19 38 11 2 2 2 2 2 3 4 2 1 2 2 2 1 1 2 2 3 3 2 2 2 2 9 77 9 22 6 3 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 1H | 72 72 m 4H | 72 71 m 2H | 52 52 tt 1H J 26 37 | 39 38 d 8H J 141 | 34 33 ddd 1H J 8 27 121 | 32 31 m 2H | 31 29 m 5H | 29 28 ddd 1H J 52 70 121 | 23 23 s 3H | 23 22 m 1H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(-c2ccccc2)ncn1Cc1ccccc1
ir: 2 2 1 1 2 2 4 2 6 8 2 2 2 4 3 1 2 1 1 1 2 1 1 1 2 1 2 4 8 12 9 11 9 5 6 19 11 14 16 88 68 9 5 4 2 7 2 3 3 3 3 17 7 2 2 1 1 0 1 1 1 1 1 8 3 3 6 11 15 17 4 3 2 2 3 3 4 4 6 5 5 2 2 1 2 2 3 6 19 30 4 3 9 3 5 5 12 20 43 26 4 1 5 12 21 2 2 2 3 6 22 4 2 1 2 2 1 1 2 2 3 4 2 2 0 2 3 1 1 3 8 3 8 8 10 38 20 0 1 3 2 3 13 7 11 17 15 8 6 3 5 17 13 5 2 0 1 1 1 0 1 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 2 2 4 2 5 2 10 15 24 100 100 97 43 33 9 8 6 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 t 1H J 8 | 75 75 m 2H | 74 74 tt 1H J 14 73 | 73 72 m 3H | 72 71 ddq 2H J 8 14 58 | 69 68 m 2H | 55 55 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSCc1cc(=O)nc2n1CC(COc1ccc(C3CCCCC3)cc1)O2
ir: 4 3 2 3 4 2 1 3 2 1 1 2 4 2 15 12 3 1 0 3 2 5 1 3 4 3 2 3 3 2 1 2 2 0 1 3 2 7 11 8 6 3 2 3 2 0 1 4 2 0 2 4 2 8 5 5 6 2 2 4 2 0 2 4 1 0 4 9 36 18 3 2 3 3 3 2 1 1 2 2 1 1 2 2 1 4 5 4 4 3 2 2 1 2 3 2 2 3 4 9 3 2 3 2 1 2 4 3 1 6 8 9 2 2 3 9 5 3 3 4 2 3 4 4 2 10 4 2 3 3 3 1 1 2 3 1 0 2 2 1 15 8 3 2 3 100 6 4 5 6 4 3 2 3 2 1 1 3 2 2 22 2 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 6 3 1 3 2 2 2 5 13 6 7 15 22 12 6 6 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 71 71 m 2H | 68 68 m 2H | 60 60 t 1H J 13 | 50 49 tt 1H J 26 37 | 44 44 dd 1H J 36 124 | 42 42 dd 1H J 26 103 | 42 41 dd 1H J 37 123 | 40 39 dd 1H J 26 103 | 36 35 d 2H J 12 | 27 26 m 1H | 26 25 q 2H J 61 | 19 18 ddt 2H J 57 82 132 | 17 14 m 9H | 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.
CC[C@H]1C[C@@H](N)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C
ir: 3 1 2 4 5 2 0 1 1 1 2 3 3 1 1 1 1 2 1 0 2 1 1 0 1 0 0 1 1 2 0 1 1 1 2 1 0 1 2 1 1 0 0 1 0 1 1 1 0 0 1 1 2 1 3 14 10 5 9 7 12 1 1 1 3 10 3 5 4 1 2 1 2 3 16 15 1 1 1 2 0 4 9 2 0 1 1 2 2 1 1 0 2 6 2 1 0 1 5 5 1 2 2 1 1 1 1 2 4 3 3 3 11 22 3 2 1 4 3 1 2 1 2 1 1 2 3 8 6 10 3 2 4 7 12 3 2 1 1 1 0 0 1 0 0 4 11 1 1 1 4 1 4 13 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 1 1 1 1 1 1 0 2 3 4 3 2 6 7 1 1 1 1 1 1 0 0 0 1 1 2 2 14 7 4 1 1 2 2 100 55 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 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 74 74 p 1H J 9 | 51 50 hept 1H J 59 | 44 43 ddddd 1H J 13 43 74 88 102 | 42 41 tddd 1H J 19 45 72 91 | 26 25 d 2H J 70 | 24 23 ddd 1H J 36 62 137 | 21 20 ddd 1H J 63 90 139 | 18 17 dp 1H J 73 121 | 16 14 dp 1H J 72 119 | 13 13 dd 6H J 10 60 | 8 7 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CC(C(=O)O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C
ir: 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 15 4 1 0 2 16 7 3 1 0 0 1 0 1 1 9 2 2 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 7 2 1 1 1 4 1 1 0 0 1 0 2 0 0 1 0 0 1 1 1 1 2 4 11 6 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 1 2 4 2 1 1 1 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 2 1 0 0 1 1 0 0 1 1 0 0 34 100 8 7 3 1 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 0 2 1 3 5 3 4 12 3 1 1 1 2 0 0 0 1 2 1 2 1 0 0 0 0 0 0 0 0 0 2 8 6 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 5H | 57 57 s 1H | 37 36 t 1H J 75 | 23 23 dd 1H J 75 143 | 21 20 dd 1H J 75 143 | 15 15 s 3H | 14 14 d 12H J 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
S=C(NCc1ccnc(Br)c1)Nc1cccc(Cl)c1Cl
ir: 1 1 1 2 4 1 1 1 1 3 1 1 2 1 2 20 2 2 1 1 2 0 1 2 2 1 1 5 4 5 7 28 26 60 41 17 7 7 6 5 8 6 2 0 3 4 2 11 30 2 1 0 1 3 4 2 1 1 1 1 0 3 1 4 18 22 9 2 1 1 1 0 2 2 7 4 1 1 2 2 1 2 2 1 1 1 3 2 3 1 0 1 3 1 2 1 3 7 1 2 14 2 3 1 6 2 1 1 1 5 4 2 0 1 0 1 0 1 2 4 5 5 4 5 2 2 3 1 1 1 8 4 4 2 1 2 4 4 2 2 12 7 8 8 16 17 4 15 5 15 63 4 0 1 3 11 3 1 35 18 2 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 1 2 1 2 4 4 30 26 9 5 3 1 0 1 1 0 0 0 1 1 0 1 1 1 5 3 3 2 1 7 21 100 11 15 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 84 83 m 2H | 76 75 dd 1H J 12 82 | 75 74 dd 1H J 12 78 | 74 74 dt 1H J 9 21 | 73 73 m 2H | 48 48 dt 2H J 9 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N1Cc2cn[nH]c2-c2cc(OCC(=O)O)ccc21
ir: 1 3 7 7 21 5 5 6 10 11 13 20 22 8 13 11 9 12 12 19 85 100 39 26 9 13 5 1 3 1 8 1 3 2 2 10 1 1 1 1 2 5 2 2 3 6 13 17 57 91 6 2 4 2 8 13 15 15 4 5 2 1 1 2 3 3 3 18 9 4 4 4 23 3 2 2 3 9 12 72 12 24 3 8 7 16 26 4 2 2 2 6 4 4 2 4 7 4 3 3 5 4 8 5 2 2 2 3 2 2 3 6 24 17 20 9 5 11 12 7 21 9 4 7 5 5 9 15 3 7 5 6 10 3 8 10 2 3 2 3 6 28 7 21 18 3 32 10 12 14 24 12 30 9 3 5 3 9 2 0 1 1 0 0 4 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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 2 1 1 1 2 1 3 3 3 3 2 2 2 3 2 17 14 21 40 21 5 2 3 1 1 1 2 3 11 2 1 1 1 0 1 1 1 3 2 3 3 5 12 19 17 29 28 4 3 3 2 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 9 | 75 74 d 1H J 87 | 72 71 d 1H J 27 | 70 70 dd 1H J 27 88 | 53 53 d 2H J 9 | 47 47 s 2H | 24 23 q 2H J 78 | 11 10 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1nc2c(cc1F)CCCN2C(=O)Nc1ccc(C(F)(F)F)cn1
ir: 2 2 3 7 2 2 2 1 2 2 2 2 2 1 2 1 1 1 1 1 1 2 3 2 3 1 5 2 3 1 4 1 2 3 4 7 5 12 14 13 6 27 21 33 4 3 3 4 2 1 3 1 2 3 8 18 3 2 1 1 1 5 1 2 5 9 18 3 7 1 2 9 3 3 3 2 1 2 3 4 3 3 1 0 1 1 1 1 4 4 14 2 3 7 5 5 4 4 7 19 10 0 1 1 0 0 1 1 1 2 3 4 17 9 3 2 2 1 0 1 3 2 3 1 5 24 3 1 2 1 1 2 3 6 1 1 2 5 1 0 1 1 1 1 1 11 5 2 7 85 30 9 13 100 27 5 4 1 2 1 5 41 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 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 6 4 4 13 7 6 2 1 1 1 1 1 1 1 0 0 1 1 1 1 2 2 2 5 3 3 3 6 8 19 17 5 2 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 87 87 dq 1H J 13 24 | 82 81 m 1H | 79 78 d 1H J 71 | 72 71 dt 1H J 8 121 | 58 57 dhept 1H J 16 45 | 40 39 m 2H | 34 34 d 6H J 15 | 28 28 td 2H J 8 82 | 22 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nn(NC(=O)Cc3cc(F)cc(F)c3)c(=O)c3cc(Br)ccc23)cc1
ir: 20 9 2 6 11 5 5 6 24 6 3 10 11 19 2 12 18 4 4 7 7 4 4 6 21 4 39 46 26 13 25 14 19 12 22 27 13 3 5 10 9 12 14 13 6 1 6 7 5 9 5 6 14 20 30 67 15 10 7 11 6 9 10 9 4 5 20 38 25 27 9 5 9 1 5 5 2 1 4 6 9 2 6 5 1 3 25 7 3 3 7 9 9 11 10 7 4 5 6 4 6 6 6 3 0 3 6 3 2 3 6 9 3 3 9 21 7 5 11 17 11 26 65 24 11 10 11 9 5 9 16 78 1 5 5 3 3 8 62 5 1 25 4 2 2 10 39 31 18 33 64 50 23 16 12 2 4 20 41 40 8 6 3 5 3 6 3 1 3 6 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 5 3 0 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 0 3 5 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 1 3 5 3 1 5 9 4 1 4 7 6 4 11 15 16 8 72 93 100 32 10 8 8 6 13 6 5 3 4 4 3 2 3 4 3 4 5 6 19 31 30 28 67 47 16 7 5 5 5 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 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 2 4 3 1 2 4 3 1; 1HNMR: 80 79 d 1H J 25 | 79 79 d 1H J 83 | 78 77 dd 1H J 25 83 | 76 75 m 2H | 70 69 m 6H | 38 38 s 3H | 37 36 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNC(=O)C(CC(C)OC1CCCCO1)C[C@H](O)[C@@H](N)CC(C)C
ir: 4 3 2 6 6 8 16 19 7 13 5 12 20 7 17 31 16 10 13 8 7 11 5 7 7 8 9 13 6 7 7 3 5 3 4 6 16 52 21 7 5 4 6 5 5 4 5 5 5 7 7 5 14 8 15 6 3 4 4 4 8 12 11 15 11 5 12 17 17 5 9 9 17 11 10 4 22 20 11 12 13 19 6 29 27 11 24 32 32 18 17 7 11 7 5 4 2 4 4 5 1 1 2 5 7 16 19 8 8 11 16 8 8 7 11 3 7 6 8 14 15 6 16 9 6 9 10 19 15 35 9 16 18 15 18 10 7 4 3 3 3 2 5 7 5 100 9 17 8 6 3 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 0 0 0 1 1 1 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 7 8 6 5 4 4 6 5 11 11 20 3 8 3 2 1 1 2 1 1 11 19 5 4 2 4 7 35 73 32 3 4 10 9 4 44 54 19 12 6 5 4 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 t 1H J 60 | 48 47 t 1H J 33 | 41 40 tq 1H J 64 73 | 39 38 m 1H | 37 36 qd 1H J 49 71 | 35 35 m 1H | 32 31 m 5H | 30 29 qt 1H J 55 62 | 26 25 p 1H J 83 | 20 19 ddd 1H J 71 81 145 | 19 18 m 4H | 17 14 m 7H | 13 12 m 4H | 9 9 m 9H | 8 8 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC(C)(C)C)C(O)c1ccc(OC(=O)c2ccc3c(c2)OCO3)c2[nH]c(=O)ccc12
ir: 5 3 7 15 26 8 4 5 4 4 2 16 9 9 6 10 13 6 8 31 14 41 48 13 15 39 10 32 9 10 10 13 7 47 15 8 17 10 12 30 31 36 85 7 54 64 14 23 6 8 7 17 8 8 36 69 15 9 5 1 7 7 3 2 7 16 2 19 9 0 4 7 16 24 20 4 7 8 4 3 6 4 5 7 6 6 17 12 37 32 22 30 9 13 10 10 7 5 3 5 8 13 24 8 5 10 5 3 5 11 12 11 7 6 2 7 35 5 6 22 28 23 10 17 6 11 6 43 6 20 17 11 9 4 3 19 34 11 7 4 5 14 45 27 20 14 9 7 29 6 9 67 20 19 62 23 6 8 4 0 4 10 6 0 29 0 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 3 3 5 3 3 3 2 3 3 2 2 5 3 6 9 28 14 28 54 50 35 50 23 8 29 100 3 11 9 4 3 4 4 5 7 12 11 18 57 36 15 5 4 74 19 10 7 3 3 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 98 98 s 1H | 81 81 d 1H J 98 | 78 77 dd 1H J 20 86 | 76 75 d 1H J 20 | 73 72 m 2H | 69 69 d 1H J 86 | 61 60 d 1H J 20 | 60 60 m 2H | 47 47 dddt 1H J 6 16 38 53 | 39 39 d 1H J 75 | 39 38 d 1H J 46 | 34 33 dp 1H J 51 75 | 12 12 m 2H | 12 12 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)O)cc2ccccc21
ir: 1 3 1 2 0 2 1 1 2 1 3 4 6 5 6 5 11 4 4 5 13 100 14 2 9 9 5 4 4 2 2 1 2 5 2 1 1 1 3 5 4 2 29 9 1 3 1 2 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 2 1 1 1 2 2 5 3 3 11 12 5 2 2 1 3 1 1 1 2 1 1 1 1 2 1 0 2 1 2 1 2 1 1 0 1 3 2 2 5 5 10 5 3 5 2 1 2 3 4 1 2 2 1 1 2 3 2 3 3 2 2 6 7 6 1 1 2 1 1 3 1 1 1 1 16 22 15 8 1 1 3 31 10 2 1 1 1 0 1 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 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 1 0 0 0 1 0 0 1 1 1 1 2 1 1 2 1 2 3 2 3 3 3 8 11 7 5 1 1 1 0 1 6 73 3 1 1 0 0 0 1 1 1 1 3 1 3 3 9 8 8 4 3 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; 1HNMR: 78 77 m 1H | 77 76 d 1H J 81 | 74 74 dd 1H J 15 83 | 74 73 ddd 1H J 12 67 82 | 72 71 m 2H | 40 39 m 1H | 40 39 s 3H | 29 28 ddd 1H J 42 67 76 | 20 19 m 2H | 18 16 m 3H | 16 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(OCC2CC3CN(c4ncc(F)cn4)CCN3C2)cc1
ir: 1 2 2 1 2 2 1 1 1 3 3 3 3 1 4 1 2 4 4 1 1 1 4 1 0 3 2 19 7 1 0 1 1 1 1 4 2 1 1 3 1 1 1 1 1 1 3 1 2 4 3 14 20 100 58 35 15 14 7 7 2 0 2 5 5 1 2 7 20 8 3 7 8 4 4 2 1 0 1 4 5 9 2 2 1 1 17 6 7 7 3 3 2 5 7 4 5 4 4 2 1 4 7 11 6 4 3 3 2 2 2 1 2 2 2 2 2 2 4 3 4 3 6 8 7 7 12 4 3 12 13 12 15 3 4 1 2 2 6 3 9 21 3 5 0 80 6 27 7 1 3 8 9 3 1 2 2 2 10 3 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 2 1 2 3 1 1 5 5 14 10 43 21 10 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 d 2H J 139 | 70 69 m 2H | 69 68 m 2H | 45 44 ddd 1H J 48 75 147 | 42 42 dd 1H J 51 115 | 41 40 dd 1H J 51 137 | 40 40 dd 1H J 51 115 | 39 38 ddd 1H J 47 74 145 | 37 36 dd 1H J 51 137 | 34 33 ddd 1H J 46 73 112 | 32 31 m 2H | 30 29 p 1H J 52 | 27 26 dd 1H J 44 112 | 25 24 m 1H | 20 19 ddd 1H J 56 65 119 | 17 16 ddd 1H J 56 65 120
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCCOc1ccc(C=O)cc1
ir: 2 4 3 4 2 9 6 4 2 5 5 5 6 7 6 4 1 2 3 1 1 3 4 13 3 3 2 2 2 2 2 3 2 3 2 1 2 2 2 2 2 4 3 2 2 2 3 5 8 11 17 45 24 32 13 4 2 5 2 0 2 5 3 8 5 17 6 6 3 26 9 4 4 7 4 15 13 18 29 7 3 3 2 2 5 7 28 5 5 6 3 2 3 2 1 2 3 5 3 7 5 5 3 2 13 9 2 2 10 4 16 5 6 3 2 3 7 5 5 12 6 4 2 6 5 6 7 3 3 2 2 2 2 2 2 2 2 2 3 3 3 7 28 76 100 12 2 4 6 9 10 21 11 4 5 5 3 2 2 3 2 2 3 16 2 0 2 3 2 0 2 3 2 1 2 5 14 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 3 2 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 5 9 3 4 8 5 2 2 4 3 1 3 4 5 6 22 26 68 82 70 32 10 3 4 5 2 1 2 3 2 1 3 3 2 7 5 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 99 98 s 1H | 79 78 m 2H | 71 71 m 2H | 41 40 t 2H J 61 | 26 25 td 2H J 25 63 | 20 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(NC(=O)c1cc(C)nc(Cl)c1)Nc1ccc2c(c1)OC(F)(F)O2
ir: 3 5 3 16 2 8 7 9 8 29 35 33 12 18 13 5 13 4 7 16 8 7 9 14 8 8 8 2 3 4 23 21 4 12 6 6 5 5 5 7 41 3 2 1 3 4 3 6 3 5 20 30 28 17 20 31 5 3 4 3 2 6 3 4 3 16 12 14 32 10 9 25 5 7 22 16 4 3 2 2 2 2 1 1 12 4 1 1 3 2 2 2 2 2 1 2 6 45 54 24 9 7 0 2 3 7 1 3 100 17 13 9 7 4 5 26 7 8 11 11 4 3 4 5 6 14 11 4 3 3 1 2 2 2 1 2 2 3 2 9 9 21 17 72 67 15 23 36 3 2 8 5 3 6 14 3 3 1 2 2 2 3 19 10 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 2 2 3 3 2 3 5 4 6 11 30 9 30 68 18 15 5 4 4 3 3 2 2 4 2 1 1 2 2 1 2 3 2 3 6 14 17 29 93 48 25 10 4 3 1 1 2 1 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 62 | 76 75 d 1H J 22 | 75 75 d 1H J 22 | 70 70 d 1H J 86 | 63 63 d 1H J 22 | 63 63 dd 1H J 22 86 | 62 62 d 1H J 61 | 60 60 tq 1H J 16 63 | 25 25 s 2H | 21 20 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(C(=O)NCc2cccc(O)c2)cc1Br
ir: 1 1 2 7 3 1 0 1 1 2 2 4 1 2 1 1 1 0 1 1 2 2 15 1 1 1 0 1 2 2 3 1 1 0 0 2 1 0 0 2 4 14 3 1 1 2 1 5 3 1 1 0 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 7 2 1 0 0 1 5 2 1 2 1 1 1 1 4 6 2 1 0 1 1 3 1 1 1 0 0 0 0 1 1 1 1 0 0 1 1 1 4 3 0 1 10 1 0 4 1 1 1 0 1 2 1 1 2 2 2 1 1 1 4 1 1 0 0 0 0 0 0 0 0 1 6 1 2 3 10 3 9 11 100 2 1 1 1 2 1 5 1 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 1 0 0 0 0 0 0 1 1 1 2 2 2 11 3 2 1 1 1 2 7 48 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 4 11 12 1 1 1 0 1 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 0 0; 1HNMR: 83 82 m 2H | 80 80 s 1H | 72 71 dd 1H J 78 85 | 71 70 m 1H | 68 68 tt 1H J 9 22 | 68 67 ddd 1H J 13 22 86 | 45 44 dt 2H J 9 51 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)N1C[C@@](CC=O)(C(=O)OC(C)(C)C)CC1=O
ir: 0 6 10 12 14 2 5 7 2 7 6 3 4 2 5 3 8 11 17 12 6 4 3 2 3 7 3 2 2 4 7 9 15 5 4 3 1 2 4 2 2 10 7 1 2 2 2 2 2 5 2 2 3 6 3 3 2 3 6 13 4 5 3 1 4 2 2 9 6 2 3 2 3 3 1 2 4 2 2 1 3 3 1 4 2 1 1 1 2 5 3 4 4 3 3 2 3 6 3 2 2 1 4 9 12 8 2 1 2 1 0 2 4 7 18 10 9 14 18 8 4 4 6 6 10 12 5 5 3 7 4 8 11 10 6 34 26 2 2 1 1 2 5 6 21 23 5 8 9 100 61 8 3 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 2 3 2 3 2 4 4 4 3 2 1 2 4 5 11 34 7 13 23 21 16 2 0 2 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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; 1HNMR: 97 96 t 1H J 63 | 73 72 m 6H | 48 47 q 1H J 67 | 41 40 m 1H | 39 38 m 1H | 30 29 m 1H | 27 26 m 2H | 26 25 dd 1H J 7 158 | 15 15 d 3H J 66 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC1CCNCC1
ir: 3 3 3 3 3 5 13 5 4 9 11 4 7 9 9 4 4 3 4 12 9 37 47 17 10 6 4 3 4 3 3 3 3 3 3 3 3 3 3 4 3 35 4 3 8 8 6 4 5 5 4 5 14 6 9 5 3 3 5 7 4 2 3 5 7 28 21 0 4 4 3 3 4 4 8 4 8 5 74 73 3 7 3 3 3 4 3 4 5 4 4 5 3 4 5 4 3 4 10 5 4 4 3 4 5 11 7 8 6 5 19 42 9 5 4 4 5 6 14 7 4 4 4 4 3 4 4 5 12 22 15 3 3 4 4 4 8 5 5 3 3 6 7 100 60 4 4 4 4 2 3 4 4 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 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 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 4 4 4 8 5 4 3 4 4 4 4 7 8 4 3 3 3 3 3 4 3 3 3 4 43 64 4 2 4 4 6 5 4 7 42 32 5 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 51 51 p 1H J 39 | 29 28 dddd 2H J 26 40 53 134 | 27 26 dddd 2H J 26 40 53 134 | 23 22 d 2H J 77 | 20 19 tp 1H J 62 77 | 17 16 dddd 2H J 26 52 62 141 | 14 14 dddd 2H J 26 53 62 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ncccc1C(O)c1cc(Cl)cnc1Cl
ir: 3 4 2 2 2 2 1 2 8 6 2 7 2 2 3 2 2 2 1 6 2 2 2 7 4 5 10 9 2 1 2 2 2 3 7 4 10 60 14 10 14 9 15 27 10 9 3 7 11 7 2 3 1 1 1 1 1 1 3 3 3 4 4 9 11 6 19 18 9 8 8 13 8 6 3 2 2 4 2 3 5 24 30 12 16 24 30 29 8 15 19 7 5 3 8 4 5 11 17 2 3 3 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 4 5 9 6 3 2 2 6 5 17 18 23 6 5 3 4 2 6 7 7 25 32 14 8 9 33 14 10 21 12 12 6 3 6 11 25 32 10 7 16 7 5 8 6 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 4 6 3 29 13 3 6 7 10 29 27 25 8 13 15 11 10 57 100 21 10 5 5 2 3 1 2 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 dd 1H J 21 43 | 82 81 d 1H J 16 | 78 77 m 1H | 77 76 dd 1H J 7 16 | 73 72 dd 1H J 42 81 | 72 72 dd 1H J 108 163 | 63 62 m 1H | 58 57 dd 1H J 38 163 | 56 55 dd 1H J 38 110 | 34 33 d 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@@H](C(=O)O)n1sc2ccc(F)cc2c1=O
ir: 4 3 2 4 5 3 3 4 5 9 6 8 6 20 24 30 18 25 20 27 46 47 74 11 17 12 7 5 18 21 2 4 4 2 2 3 3 3 8 28 31 42 11 12 5 4 4 4 4 3 3 8 19 30 19 25 5 2 2 10 6 1 2 3 2 3 2 4 4 3 3 3 3 2 4 7 10 32 38 36 20 10 28 10 2 6 16 8 5 4 4 3 2 2 3 4 0 3 5 6 16 57 7 3 3 25 16 13 12 5 6 4 8 4 4 4 7 9 43 22 8 12 7 10 8 7 8 6 7 6 5 24 4 7 6 21 4 5 3 5 7 6 15 32 47 10 22 11 5 7 5 21 45 17 9 5 1 4 2 1 2 6 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 2 3 4 3 4 3 6 6 2 5 9 5 7 10 11 11 16 15 49 67 5 4 7 3 1 5 23 37 100 25 4 5 3 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 77 76 dd 1H J 27 121 | 76 76 dd 1H J 47 81 | 72 71 ddd 1H J 27 81 101 | 47 46 m 1H | 20 19 m 1H | 18 17 m 2H | 9 8 m 3H | 8 7 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCc1nc(Cl)nc2ccsc12
ir: 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 2 12 1 1 1 1 1 1 0 0 1 2 1 0 1 0 4 1 4 1 1 1 4 15 18 15 4 2 3 1 0 2 2 1 2 3 6 10 31 55 8 10 1 3 0 1 1 1 1 0 2 1 11 4 2 8 1 1 2 1 1 0 0 3 1 1 10 4 0 0 0 1 1 0 9 1 1 1 1 0 1 1 1 0 0 1 1 1 2 6 2 4 7 2 1 1 2 0 1 2 1 1 1 1 1 2 1 2 3 5 9 4 2 3 4 18 8 25 17 6 5 2 22 14 2 2 1 43 1 1 1 2 3 100 3 1 37 10 10 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 1 0 1 1 0 1 1 1 2 4 1 1 2 14 4 9 4 1 1 1 0 0 3 4 11 15 9 10 4 2 3 5 4 8 57 3 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 75 s 2H | 30 29 m 4H | 20 19 tt 2H J 57 72 | 12 12 t 2H J 63
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(N(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC2CC2)CC1
ir: 19 11 9 18 41 13 11 7 13 16 14 30 20 10 6 8 12 9 15 6 9 6 2 4 5 2 2 7 5 2 4 5 6 4 3 21 47 24 4 5 6 11 9 7 4 4 8 8 7 8 8 7 35 13 10 27 18 11 9 13 4 1 9 13 19 11 17 16 5 6 19 8 3 0 7 7 4 1 4 6 2 1 10 19 57 99 35 24 22 36 32 7 7 12 9 7 4 7 7 9 10 12 33 14 10 9 30 9 3 5 7 7 4 5 7 5 4 24 27 33 11 14 12 16 8 12 7 10 10 16 22 11 16 9 11 26 100 17 9 5 6 7 6 5 4 8 22 36 11 9 32 72 9 9 4 4 3 4 6 22 3 5 4 2 4 5 3 1 2 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 4 2 2 5 5 4 4 7 4 2 3 7 8 4 4 8 7 16 10 17 33 20 71 17 37 28 11 11 7 4 5 5 3 2 3 5 2 2 4 4 2 2 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 84 84 dt 1H J 9 20 | 80 79 m 4H | 77 77 d 1H J 84 | 75 74 ddt 1H J 9 19 84 | 38 37 d 2H J 9 | 37 36 ddd 2H J 55 82 123 | 34 33 ddd 2H J 53 81 121 | 33 32 s 2H | 30 29 p 1H J 51 | 26 25 d 2H J 46 | 19 18 ddt 2H J 52 81 117 | 16 15 ddt 2H J 52 81 119 | 15 14 s 7H | 9 8 pt 1H J 46 62 | 5 4 m 2H | 2 1 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1coc2c(F)c(O)c(F)cc12
ir: 7 4 1 2 3 3 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 3 3 2 1 1 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 3 3 4 1 1 2 3 2 1 1 2 3 5 3 2 1 1 1 2 1 1 1 1 1 1 11 4 1 1 3 5 1 6 23 18 3 1 1 1 1 1 2 1 2 1 2 1 3 5 6 1 1 1 1 3 5 2 2 1 1 2 4 3 2 2 2 1 1 1 2 1 1 2 2 1 2 2 2 1 1 2 2 2 1 2 2 2 17 4 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 7 4 1 3 3 11 11 10 5 1 0 6 100 14 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 36 47 | 76 76 q 1H J 7 | 74 73 d 1H J 122 | 37 37 d 2H J 9 | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
ir: 2 1 2 3 12 4 3 7 10 7 15 8 12 8 55 18 21 15 59 63 40 25 9 11 13 12 15 10 8 12 5 5 2 5 3 3 1 4 11 16 9 2 3 1 1 2 1 1 1 1 1 2 3 8 5 3 3 1 2 1 1 2 1 1 1 3 4 3 7 10 4 5 7 7 8 7 14 16 35 20 10 21 2 15 10 7 3 3 3 5 2 0 1 2 1 4 4 3 6 4 6 2 1 1 1 2 4 7 1 3 0 4 30 12 10 2 3 1 2 2 2 5 3 2 1 3 3 3 6 2 2 4 9 11 4 14 1 3 1 2 2 2 10 25 3 7 23 3 2 1 1 3 3 12 100 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 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 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 4 3 1 1 3 3 4 8 32 14 9 16 24 9 1 1 1 2 2 4 26 65 52 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 53 52 ddd 1H J 18 46 64 | 52 51 s 2H | 27 27 ddd 1H J 51 69 143 | 27 26 dddd 1H J 17 53 70 142 | 22 21 m 1H | 20 19 dtd 1H J 53 69 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Cl)cc1Cc1ccccc1Cl
ir: 2 2 4 7 17 5 4 5 30 5 2 3 2 2 1 2 3 2 1 2 2 2 2 2 3 2 1 2 2 1 1 2 2 4 2 2 2 2 2 4 9 3 9 10 2 2 1 2 2 2 2 2 3 20 13 4 3 2 3 2 2 1 1 2 1 1 1 4 3 2 2 2 1 1 3 3 7 3 3 1 3 2 2 2 2 2 2 2 1 2 4 5 2 2 3 2 1 4 2 2 2 4 5 2 1 1 1 1 1 1 2 1 1 2 4 4 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 3 3 2 3 3 2 2 1 1 2 2 2 5 2 5 2 19 10 17 57 6 0 2 4 2 0 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 2 3 4 4 9 13 10 3 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 7 38 6 1 1 2 2 1 2 4 3 2 12 100 10 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 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; 1HNMR: 73 72 m 4H | 71 71 dd 1H J 25 71 | 69 69 dt 1H J 8 24 | 67 67 d 1H J 72 | 41 40 t 2H J 8 | 32 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCCOc1cccc2[nH]ccc12
ir: 7 9 1 2 3 2 1 2 3 3 5 25 11 11 4 2 5 3 3 10 6 16 100 22 2 3 2 2 3 2 2 2 2 2 1 2 2 1 3 6 4 1 3 5 3 4 14 48 10 3 1 3 2 0 1 3 1 0 1 3 2 1 2 3 3 2 3 3 6 2 3 3 1 1 6 11 2 2 3 5 14 2 3 2 1 1 2 2 1 2 6 7 2 1 8 2 4 18 9 3 3 4 7 4 3 3 2 4 15 17 13 12 1 2 4 4 2 6 7 4 1 2 3 2 1 3 5 2 4 16 7 2 1 1 2 1 1 4 7 10 11 12 12 46 1 3 9 18 1 3 3 0 2 8 5 2 1 11 21 3 7 3 2 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 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 2 1 1 1 2 2 0 1 2 1 1 1 3 3 1 3 3 3 1 3 3 4 5 3 6 12 6 8 51 21 13 10 8 10 6 2 3 3 1 2 1 1 1 1 1 1 1 1 1 2 2 3 4 28 43 18 10 14 4 3 2 1 1 2 1 1 1 2 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 66 | 71 71 dd 1H J 33 66 | 71 70 dd 1H J 10 80 | 70 70 m 1H | 68 67 m 1H | 65 64 d 1H J 30 | 42 41 t 2H J 49 | 38 37 t 2H J 38 | 22 21 tt 2H J 38 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2/C1=N\O
ir: 1 1 0 1 4 8 5 7 4 1 1 1 2 1 1 1 2 0 1 1 1 0 0 0 0 1 1 3 3 3 0 0 0 1 1 1 1 1 0 0 0 1 13 3 5 0 0 0 0 0 0 1 1 2 6 12 2 1 0 0 0 1 1 0 1 1 5 2 2 1 2 2 2 3 3 2 1 1 1 1 3 0 0 0 1 0 1 0 1 2 4 2 4 1 1 0 1 4 4 6 7 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 3 3 0 1 1 1 1 0 0 0 0 1 6 6 16 2 0 0 0 0 0 0 1 5 5 0 0 1 1 1 0 1 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 3 3 21 15 5 1 1 1 1 5 11 100 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 76 75 d 1H J 82 | 75 74 m 2H | 74 73 m 3H | 73 72 ddd 1H J 7 22 83 | 39 39 ddd 1H J 8 41 68 | 23 22 dd 1H J 40 126 | 20 20 dd 1H J 68 128 | 14 14 s 3H | 13 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)NNC(=O)COc1ccc(Cl)cc1
ir: 1 1 1 1 0 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 3 5 3 7 13 6 2 3 3 3 3 13 16 7 7 6 4 10 3 6 6 9 4 8 4 3 3 2 2 2 3 8 17 8 0 3 2 1 1 1 1 1 1 1 1 1 1 3 3 7 1 1 1 1 1 1 1 1 1 1 1 0 1 4 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 4 19 49 4 0 1 5 25 6 2 2 1 2 4 2 16 3 23 11 8 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 10 7 4 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 6 10 2 2 4 6 3 50 17 8 2 1 6 8 100 7 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 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 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 98 d 1H J 53 | 94 93 d 1H J 53 | 74 73 s 2H | 73 73 m 2H | 70 70 m 2H | 46 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)nc(-c2ccc(CBr)cc2)c1
ir: 12 4 3 2 2 3 4 3 3 5 3 5 3 7 11 2 2 3 5 11 11 24 67 13 1 3 3 1 3 4 18 3 20 5 20 3 1 2 1 1 1 2 2 1 1 2 1 2 2 2 4 1 2 4 2 7 20 5 2 3 2 5 2 6 12 12 10 35 17 11 2 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 3 8 16 4 1 2 2 0 1 1 2 3 14 3 1 0 1 2 2 7 6 4 2 0 1 3 3 1 6 18 23 2 19 21 8 10 7 14 6 4 2 3 4 10 8 2 1 1 2 2 1 0 4 59 12 6 2 7 76 17 3 2 3 5 2 2 5 2 3 2 1 1 2 18 1 1 3 6 6 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 1 2 1 1 1 3 4 2 9 16 23 100 45 12 8 6 3 2 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 22 | 79 79 m 2H | 76 76 d 1H J 22 | 74 74 dt 2H J 9 83 | 44 44 d 2H J 9 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cccc(NC(=O)c2cncc(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2)c1
ir: 2 4 6 8 7 7 5 11 3 5 16 6 2 3 4 3 10 2 2 1 2 3 4 8 2 5 5 7 6 2 2 3 4 3 3 2 1 5 10 21 50 10 6 4 7 6 12 24 14 11 6 3 4 6 18 5 5 2 5 3 2 2 4 2 4 5 14 27 21 6 4 6 5 1 1 2 3 3 2 4 8 13 34 4 4 1 1 2 1 2 3 4 16 17 20 6 3 2 1 2 8 6 2 21 8 16 8 21 5 3 1 3 2 16 10 13 32 9 6 4 5 8 7 8 3 13 12 8 9 18 23 4 3 20 3 1 3 1 1 3 7 15 10 10 8 15 10 100 10 4 3 44 4 24 9 6 9 5 5 8 23 7 61 12 7 2 1 0 1 1 0 0 0 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 2 3 3 3 1 2 1 2 3 5 3 6 4 5 11 14 10 9 48 47 9 4 2 2 1 1 1 1 3 1 1 1 1 1 2 2 2 1 5 4 8 10 42 17 6 13 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 88 88 t 1H J 17 | 83 82 t 1H J 17 | 77 77 t 1H J 17 | 74 73 m 2H | 73 72 t 1H J 80 | 68 68 ddd 1H J 12 21 81 | 47 46 hept 1H J 57 | 38 37 ddt 2H J 15 113 129 | 37 36 m 2H | 36 35 m 2H | 34 34 ddd 2H J 15 32 111 | 24 24 dp 2H J 18 34 | 15 14 s 7H | 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.
CNC(=S)N1N=C(c2ccc(N3CCN(C)CC3)cc2)c2cc(OC)c(OC)cc2CC1C
ir: 1 1 6 4 4 2 6 3 3 3 3 2 6 3 3 5 6 6 8 7 3 4 6 4 12 25 100 25 12 15 4 5 6 6 3 16 1 1 2 12 6 4 3 2 1 1 1 1 0 1 1 2 3 2 8 11 4 6 16 4 2 2 6 13 16 10 14 23 26 17 11 7 2 2 2 3 3 3 1 2 11 2 4 6 20 1 3 7 1 2 4 19 3 1 2 2 4 7 5 6 8 6 7 1 2 1 2 1 1 2 2 15 1 2 3 5 4 11 22 14 6 12 16 9 9 16 8 5 9 4 2 2 3 1 3 1 1 1 1 1 2 4 21 55 20 8 4 12 24 3 7 6 22 6 6 8 2 0 0 1 0 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 1 2 2 2 1 1 2 1 1 3 4 10 11 11 24 35 5 4 2 1 1 1 1 1 0 1 1 0 0 0 1 0 1 2 6 4 11 13 12 11 37 3 2 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; 1HNMR: 76 75 m 2H | 75 75 q 1H J 43 | 69 69 m 2H | 68 68 s 1H | 68 67 t 1H J 9 | 47 46 h 1H J 80 | 39 38 d 6H J 57 | 33 32 t 4H J 47 | 32 32 m 3H | 31 30 d 3H J 44 | 30 29 ddd 1H J 9 82 139 | 29 29 s 3H | 29 28 m 2H | 15 14 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23
ir: 3 3 3 4 4 5 5 4 3 4 10 9 7 4 4 4 4 5 4 5 13 50 33 15 7 6 4 3 3 4 4 3 3 3 4 4 5 4 3 3 3 3 3 3 3 3 4 3 7 52 16 4 4 4 3 5 4 4 3 3 3 5 3 3 3 4 5 4 8 6 5 2 5 6 2 0 40 100 10 9 2 1 5 5 2 3 4 9 4 2 13 10 3 3 4 4 6 7 4 5 4 4 3 8 3 3 5 4 4 3 4 3 2 7 4 9 3 4 5 4 4 3 4 4 3 4 11 5 2 4 6 3 3 9 6 3 4 14 11 4 4 4 4 4 3 4 4 9 8 4 20 13 4 33 39 3 3 3 3 5 2 4 10 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 3 3 3 3 3 4 4 4 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 5 4 3 4 5 8 3 4 18 15 3 13 10 3 3 4 3 21 25 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 87 86 d 1H J 18 | 82 81 dd 1H J 48 121 | 44 43 ddtd 1H J 17 65 73 138 | 31 30 ddd 1H J 49 73 141 | 28 28 ddd 1H J 49 73 141 | 14 13 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCCCCN(CCCC(CCCC(C)C)OC(C)=O)S(C)(=O)=O
ir: 11 26 28 11 17 15 18 14 10 10 12 9 4 5 4 4 1 4 12 2 2 10 6 4 5 8 4 1 0 1 1 1 2 2 11 7 4 3 8 7 17 9 5 3 4 8 4 3 2 5 5 6 7 3 3 0 2 6 23 6 5 8 5 7 9 7 11 21 12 67 21 12 10 19 17 10 11 7 11 3 10 16 24 14 44 14 8 20 100 74 24 21 5 5 11 6 4 8 30 25 32 18 10 25 37 14 30 29 23 7 9 15 7 15 20 11 13 17 13 56 19 24 12 28 36 24 25 10 19 32 9 7 7 3 4 3 6 3 3 3 12 9 11 12 99 9 7 5 3 1 2 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 2 2 2 2 2 5 7 9 6 20 19 11 11 15 6 5 10 13 21 48 47 32 26 26 9 4 4 1 2 4 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 47 46 p 1H J 62 | 42 41 q 2H J 66 | 31 29 hept 2H J 65 | 30 29 t 2H J 68 | 29 28 s 2H | 23 22 t 2H J 85 | 20 20 s 2H | 18 16 m 4H | 16 14 m 9H | 14 11 m 11H | 9 8 dd 6H J 12 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=CC1(c2ccc(OC)c3c2OCCO3)CCC(=O)CC1
ir: 13 5 5 5 13 9 12 8 13 10 8 6 3 4 2 3 3 4 2 4 3 1 2 3 4 6 3 2 12 1 1 2 2 1 1 1 2 1 1 2 2 2 10 6 2 1 1 2 2 2 3 2 6 27 6 12 6 3 4 4 4 9 3 3 8 4 3 4 2 2 3 2 5 2 2 4 5 4 4 4 6 11 23 11 33 14 2 4 2 3 8 5 13 4 3 2 2 4 3 1 2 2 2 7 3 2 2 2 6 3 11 10 14 5 3 4 6 5 10 6 12 16 14 29 5 5 5 8 5 10 9 8 7 4 1 2 2 3 2 5 5 2 3 9 100 22 36 5 1 18 5 2 1 3 7 2 2 3 2 0 2 4 3 2 12 5 2 1 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 0 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 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 2 4 3 2 2 4 7 6 5 5 8 5 6 12 13 37 30 40 38 13 4 4 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 d 1H J 82 | 69 68 dp 1H J 9 161 | 66 66 d 1H J 82 | 60 59 d 1H J 159 | 44 43 m 4H | 42 41 q 2H J 61 | 39 38 s 2H | 28 27 ddd 2H J 51 77 150 | 26 25 ddd 2H J 51 77 150 | 23 23 dddd 2H J 9 51 79 130 | 21 20 dddd 2H J 8 51 77 128 | 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)c1ccc(COC2CCC2)c(F)c1
ir: 1 1 1 2 5 2 1 1 4 6 4 3 2 2 5 4 2 5 9 1 14 53 50 7 3 2 1 2 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 6 16 2 2 2 2 2 1 4 3 7 3 6 4 14 1 1 1 2 2 2 24 6 2 8 12 7 1 1 2 1 3 3 3 2 1 2 4 1 1 2 3 3 2 2 5 3 6 7 2 1 1 1 1 1 1 1 1 1 1 4 7 10 11 2 1 1 2 2 4 14 2 1 1 1 2 3 1 1 4 3 1 1 1 2 1 1 2 3 17 12 100 0 2 2 2 5 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 2 1 2 4 7 21 6 3 2 1 1 1 1 2 18 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 74 73 m 1H | 46 45 dd 2H J 9 35 | 40 40 p 1H J 38 | 20 19 m 2H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C#N)c(OCC(=O)OC(C)(C)C)c1
ir: 4 3 7 4 7 2 2 4 5 9 16 9 7 12 8 4 4 1 2 2 3 8 5 4 11 19 6 3 5 14 10 4 6 4 10 12 11 14 14 21 16 64 12 6 2 0 1 4 4 1 9 8 31 94 100 15 6 7 4 2 5 6 5 9 4 4 9 41 11 68 16 18 4 2 2 2 3 1 3 2 1 0 1 1 1 1 4 2 6 4 6 3 1 2 3 2 2 8 6 13 4 3 2 3 2 10 37 10 3 3 3 2 0 2 2 3 5 5 11 17 19 16 11 5 6 5 11 9 21 11 19 15 6 5 4 2 2 2 3 11 32 31 7 20 70 82 6 12 10 71 26 9 13 97 13 4 2 3 3 1 11 22 6 1 2 2 2 0 1 2 2 1 1 2 1 1 1 2 1 0 1 3 45 2 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 0 1 1 1 1 1 2 2 1 1 2 2 0 1 3 4 2 4 7 3 1 3 4 3 1 2 5 3 2 13 42 65 26 46 39 57 20 8 2 3 3 3 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 d 1H J 84 | 68 68 dd 1H J 24 84 | 66 65 d 1H J 23 | 48 47 s 2H | 38 38 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(F)c2[nH]c3c(c2c1)[C@H]1CCCN1CC3
ir: 9 8 8 25 4 5 5 8 7 3 0 3 4 21 23 28 1 4 3 5 4 9 13 15 24 3 4 31 21 11 3 2 2 2 2 3 12 5 5 2 2 1 2 8 1 1 2 2 1 1 1 1 2 1 2 1 2 3 2 1 8 7 3 2 4 10 60 58 11 1 3 3 1 11 2 1 2 1 3 6 17 38 8 1 6 6 5 9 4 4 3 2 3 3 7 19 8 6 4 10 4 54 8 5 4 4 2 2 3 9 2 2 1 2 7 21 8 4 2 2 6 5 4 6 3 5 15 3 2 6 3 12 3 1 1 1 2 4 1 1 1 1 1 1 2 3 1 5 3 1 1 2 2 4 4 3 3 92 1 0 2 22 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 2 2 2 2 1 4 5 15 0 6 100 24 3 5 1 2 2 1 1 2 1 2 1 2 1 2 2 1 1 1 1 1 0 2 5 5 82 16 5 4 3 2 1 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 d 1H J 48 | 74 73 dd 1H J 22 121 | 71 70 td 1H J 21 121 | 34 33 m 1H | 32 31 ddd 1H J 29 49 114 | 31 30 m 2H | 29 28 m 3H | 23 22 m 1H | 20 19 m 2H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(CNc2nccc(Nc3cc(C4CCCO4)[nH]n3)n2)c2cc[nH]c2c1
ir: 2 3 5 6 4 7 2 2 2 3 4 3 3 2 3 2 2 4 8 5 8 8 10 7 3 7 3 30 34 10 6 2 3 3 3 1 1 2 2 2 3 2 2 2 3 3 6 6 9 14 17 15 18 26 23 22 13 4 4 6 3 3 3 1 3 3 3 3 2 9 10 11 7 10 6 2 3 4 1 2 3 3 1 1 2 2 1 1 2 2 2 2 3 2 2 2 5 9 13 6 8 3 2 6 6 3 2 5 4 5 6 2 4 4 9 5 4 2 1 2 6 8 5 4 3 3 4 5 7 4 2 3 6 2 1 2 5 9 10 9 15 7 6 6 7 5 12 18 8 3 15 14 12 4 2 6 4 8 10 45 45 8 4 4 2 2 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 2 2 3 2 4 3 5 7 8 15 9 9 8 7 3 2 2 2 1 2 2 1 2 1 2 1 1 3 3 2 5 6 9 36 100 38 28 12 6 0 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 98 97 d 1H J 66 | 82 81 d 1H J 44 | 74 73 dd 1H J 14 84 | 74 73 s 1H | 73 72 m 1H | 72 71 m 2H | 70 70 t 1H J 52 | 67 66 dd 2H J 42 101 | 62 62 d 1H J 7 | 53 52 m 1H | 51 50 dd 2H J 9 53 | 41 40 ddd 1H J 30 48 108 | 39 39 ddd 1H J 28 47 108 | 27 26 m 1H | 24 23 dddd 1H J 28 57 105 132 | 22 21 ddddd 1H J 28 47 57 75 134 | 21 20 ddddd 1H J 29 48 57 76 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Nc1nc(Nc2cc(C(C)(C)N)ccn2)cc2ccn(CCO)c(=O)c12
ir: 1 1 2 1 2 4 7 3 1 1 1 2 1 1 2 1 1 1 2 2 2 3 2 3 1 1 12 14 4 3 4 4 3 1 7 5 7 6 5 8 2 4 2 1 3 5 11 7 3 15 43 7 2 3 2 2 8 11 2 2 2 3 4 0 4 6 10 100 12 2 3 4 4 5 2 2 1 2 2 1 1 1 1 1 1 14 7 8 25 18 4 5 1 2 3 3 7 6 2 2 3 2 1 2 3 5 4 2 2 1 1 2 3 5 5 2 1 3 6 4 2 2 3 2 2 2 2 2 2 3 5 12 14 9 1 2 3 1 8 7 11 6 3 0 0 7 2 10 4 6 4 10 3 5 8 6 2 3 2 18 13 4 6 7 59 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 2 1 1 1 1 1 1 1 2 2 1 2 9 4 4 3 7 10 14 3 4 3 4 4 33 13 2 2 4 3 5 13 6 3 1 2 3 7 20 15 16 37 34 26 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 89 89 s 1H | 81 81 d 1H J 44 | 76 76 s 2H | 73 73 d 1H J 22 | 72 72 dt 1H J 9 77 | 71 70 dd 1H J 22 44 | 68 67 d 1H J 75 | 40 40 td 2H J 9 59 | 38 38 q 2H J 59 | 37 37 m 1H | 23 23 s 2H | 16 15 s 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(N)c2nc3cc(Br)c(Br)cc3[nH]2)cc1
ir: 1 2 1 5 2 2 2 1 1 2 1 1 1 2 1 2 2 2 2 1 2 4 5 5 3 5 3 2 7 1 2 1 1 2 2 0 1 1 3 1 1 1 1 0 1 1 2 2 2 3 1 2 4 6 6 14 11 2 5 1 11 8 16 36 44 4 6 8 10 11 4 12 6 5 2 4 3 3 9 4 15 9 2 0 2 2 1 14 2 2 1 1 1 1 1 1 1 3 3 1 1 1 0 1 1 1 0 40 1 3 3 1 2 1 1 2 4 2 2 2 3 2 2 2 2 5 5 5 5 7 12 9 12 21 17 3 4 2 2 2 2 1 1 1 3 1 7 3 14 6 1 1 4 5 0 2 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 2 3 2 7 36 73 8 2 2 1 1 1 1 1 3 4 1 1 4 10 11 9 6 6 5 5 4 100 53 8 3 10 16 20 4 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 s 1H | 78 77 s 1H | 71 70 dt 2H J 9 86 | 69 68 m 2H | 46 46 p 1H J 50 | 38 38 s 3H | 32 32 ddt 1H J 9 48 156 | 30 29 ddt 1H J 9 49 156 | 29 29 d 2H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2o1
ir: 1 5 7 9 33 4 2 6 12 6 2 5 19 43 20 5 10 6 2 11 2 3 3 3 1 3 3 2 9 3 4 5 11 4 100 82 9 29 39 17 12 9 7 5 6 5 5 11 3 10 11 32 10 20 34 20 3 16 5 0 2 16 4 2 2 13 35 21 13 3 4 8 3 7 4 2 2 5 3 2 38 14 6 9 7 3 3 13 9 23 20 30 63 34 32 8 13 15 11 60 16 25 10 51 29 18 4 6 7 11 46 13 48 9 11 7 16 12 13 11 14 5 2 3 17 20 55 28 15 10 3 20 6 24 52 21 14 9 10 4 3 5 5 13 5 21 18 66 35 5 33 24 13 24 9 3 9 8 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 4 3 2 3 2 4 5 7 4 4 7 6 10 7 25 62 17 44 44 45 25 19 8 8 7 7 7 6 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 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 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 t 1H J 22 | 77 76 m 1H | 76 76 d 1H J 22 | 74 74 d 1H J 109 | 39 38 m 1H | 37 36 m 1H | 36 35 m 1H | 28 27 dd 1H J 54 108 | 27 25 m 5H | 20 18 m 3H | 17 16 m 1H | 11 10 t 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(CO)c(C)c1Oc1cccc(C#N)c1
ir: 3 2 1 2 3 2 0 3 3 3 2 4 10 11 9 4 3 6 2 8 6 3 4 2 3 6 4 5 6 4 4 2 2 7 100 49 32 1 0 4 3 3 2 8 3 0 5 9 4 10 2 4 4 7 6 4 3 0 2 3 2 2 4 6 3 1 4 10 16 14 7 6 3 2 2 3 1 3 5 9 7 6 7 14 22 17 22 15 21 16 15 11 5 8 2 4 2 13 5 13 12 3 8 5 2 2 3 3 2 2 3 2 1 2 6 6 4 5 4 3 1 2 3 4 5 4 6 5 6 4 4 3 5 6 4 1 3 5 3 5 10 9 2 1 4 2 2 2 1 7 31 6 2 9 4 8 3 7 8 10 3 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 6 28 2 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 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 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 4 2 5 2 1 2 4 3 2 5 3 3 4 5 21 12 4 16 23 25 4 4 4 3 11 19 25 26 4 3 4 2 2 3 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 81 81 t 1H J 9 | 75 75 ddd 1H J 12 22 66 | 74 74 m 1H | 72 72 t 1H J 21 | 71 71 ddd 1H J 12 21 70 | 48 47 dd 2H J 9 59 | 41 41 t 1H J 60 | 24 24 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1CCC(NCc2ccc(C(=O)C(NCCC(=O)O)C3CC3)cc2)CC1
ir: 1 1 1 1 0 1 2 1 2 1 2 2 3 3 4 3 2 3 3 6 4 57 7 3 3 1 3 3 5 3 6 2 1 0 2 20 4 3 8 12 4 8 2 18 3 8 10 11 5 3 3 9 20 32 8 2 7 6 2 1 1 2 5 12 5 4 1 2 5 2 5 0 1 3 4 0 2 4 5 24 2 3 1 1 1 1 4 4 1 5 2 1 1 1 2 1 4 7 8 3 1 1 1 1 1 1 12 57 7 22 4 7 4 2 3 4 4 7 6 5 2 2 4 7 4 8 3 2 2 2 4 2 2 5 6 12 7 8 2 2 3 6 8 63 6 2 3 2 1 1 3 7 2 0 1 1 1 1 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 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 1 1 0 0 1 1 1 1 1 3 1 1 3 1 2 2 6 8 3 11 3 5 12 4 3 3 2 2 2 0 1 15 14 2 2 1 2 1 1 3 3 7 100 9 3 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; 1HNMR: 78 78 m 2H | 74 73 dp 2H J 9 81 | 44 43 dt 1H J 55 63 | 42 41 t 1H J 60 | 39 38 dt 2H J 9 54 | 31 30 dtd 1H J 54 61 139 | 29 28 dtd 1H J 55 63 139 | 28 27 dq 1H J 37 66 | 25 24 m 3H | 20 19 h 1H J 58 | 18 17 m 2H | 16 15 dtd 2H J 49 75 137 | 15 14 dddd 2H J 38 49 77 130 | 13 12 dtd 2H J 49 74 137 | 10 9 m 3H | 9 8 d 9H J 15 | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC=Cc1cc2ccccc2n1C(=O)CCCC(=O)O
ir: 2 4 8 4 2 4 2 4 12 5 6 5 7 22 10 13 4 4 4 19 32 100 76 20 13 9 3 2 4 2 1 5 5 3 2 2 3 3 4 9 20 9 24 23 5 6 7 5 5 10 10 15 7 4 5 3 1 1 1 2 2 1 2 2 3 3 2 1 1 2 3 1 1 2 5 2 10 4 19 36 12 3 4 4 2 4 16 7 2 2 1 3 3 1 3 6 1 7 5 3 3 2 4 2 4 18 12 5 12 11 8 7 6 7 14 12 4 8 2 13 24 11 5 3 2 4 2 2 1 2 2 1 2 3 3 3 16 12 6 3 5 9 16 84 10 12 19 6 3 2 3 3 4 13 3 3 4 3 4 6 6 7 2 2 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 2 5 3 7 5 2 3 2 3 5 7 7 24 17 32 49 24 37 16 2 3 1 1 1 11 19 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 dd 1H J 13 85 | 78 77 ddt 1H J 9 16 66 | 75 74 m 1H | 73 73 td 1H J 14 68 | 69 69 d 1H J 20 | 66 65 dt 1H J 13 148 | 60 59 dtt 1H J 9 53 148 | 31 31 t 2H J 71 | 25 24 t 2H J 87 | 23 22 tdd 2H J 13 51 80 | 20 19 tt 2H J 71 86 | 14 13 m 5H | 9 8 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(O[C@@H]2c3cc(S(=O)(=O)c4cccc(O)c4)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O
ir: 3 3 1 2 2 2 4 1 2 5 3 2 3 2 4 4 3 7 9 4 1 8 7 5 2 2 2 3 2 1 1 4 2 2 12 3 2 2 4 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 4 3 3 16 3 1 2 2 1 1 5 3 2 1 2 2 2 1 2 1 7 2 3 2 1 1 2 3 3 3 1 5 2 20 2 2 2 6 6 5 5 2 1 2 10 2 1 1 1 1 1 1 3 3 8 1 1 1 2 3 6 2 1 2 1 2 2 2 4 7 2 1 0 18 1 1 2 2 1 1 1 1 1 1 1 2 6 3 3 11 1 1 1 1 3 2 3 1 1 3 2 1 1 2 1 1 1 16 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 3 3 10 14 7 6 2 2 14 4 1 100 3 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 s 1H | 79 78 dd 1H J 7 22 | 78 77 dd 1H J 22 90 | 74 73 m 2H | 72 72 t 1H J 20 | 70 69 m 3H | 67 66 d 1H J 97 | 58 58 s 1H | 36 36 s 3H | 34 34 s 1H | 14 14 d 7H J 13 | 12 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(C)cc1C
ir: 2 3 2 4 13 5 4 3 3 3 4 6 6 9 14 9 5 3 2 5 5 4 20 7 6 3 2 3 2 3 3 3 4 5 3 3 2 3 2 2 2 3 6 4 4 3 3 3 3 7 7 2 13 35 36 24 5 0 3 6 4 5 5 8 6 9 12 10 7 6 7 16 10 15 9 12 6 4 3 3 3 2 3 3 4 15 10 4 5 4 2 3 6 20 26 32 13 11 6 17 19 8 4 4 8 6 5 5 4 5 4 4 3 4 4 5 4 8 5 5 5 11 9 44 22 40 12 14 7 9 10 11 3 4 4 3 3 3 4 5 6 30 38 80 48 31 21 12 14 16 21 11 9 4 17 4 3 4 3 2 3 5 4 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 7 7 3 4 4 6 7 9 7 9 8 6 8 9 4 26 19 28 52 100 21 10 8 10 4 7 6 5 4 3 3 2 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 70 70 m 2H | 70 69 m 1H | 27 27 s 3H | 23 23 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.
CC1CCc2nc3c(N)nc4ccccc4c3n2N1
ir: 9 7 5 5 6 8 1 8 20 9 0 19 13 14 12 5 8 3 5 6 10 7 24 12 15 8 2 8 7 3 4 6 7 3 5 6 10 13 5 6 9 7 18 90 16 2 6 11 39 40 10 7 6 2 4 6 4 3 3 5 5 13 21 6 3 3 4 5 3 2 4 8 4 2 11 12 3 2 6 7 11 3 4 4 3 2 4 4 2 2 4 4 2 5 8 6 3 4 9 12 4 3 5 5 4 5 6 10 5 6 61 13 10 4 6 5 3 5 14 4 4 7 8 8 5 9 8 4 3 6 8 5 7 70 10 12 19 20 11 3 3 8 4 7 10 23 27 5 12 26 40 89 13 7 6 9 7 6 6 21 6 5 4 2 3 5 6 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 4 2 3 4 4 2 3 5 3 3 6 6 5 2 4 6 5 6 4 8 12 2 7 18 28 12 6 4 4 2 3 5 3 2 4 4 3 3 4 5 4 16 23 6 5 3 14 25 41 20 11 5 4 7 100 11 2 3 6 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 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 2; 1HNMR: 82 81 dd 1H J 14 77 | 80 79 dd 1H J 15 73 | 77 76 td 1H J 14 71 | 76 75 ddd 1H J 14 69 82 | 64 64 s 2H | 64 63 d 1H J 57 | 36 35 m 1H | 30 29 ddd 1H J 55 82 154 | 28 27 ddd 1H J 55 82 154 | 22 21 ddt 1H J 53 81 141 | 19 18 ddt 1H J 53 82 143 | 12 11 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)c1csc(NC(=O)C(CC2CCCC2)c2cccc(Cl)c2)n1
ir: 6 9 10 12 10 9 4 12 19 21 7 10 13 12 5 7 7 5 3 5 6 8 6 9 19 12 5 7 19 21 27 15 18 14 26 11 9 10 6 12 25 18 16 22 21 21 19 39 35 7 10 12 5 4 5 9 5 5 5 5 5 5 10 15 6 8 10 14 11 11 13 5 9 8 10 12 8 6 9 13 11 8 9 9 7 6 7 20 5 4 6 7 7 6 14 15 6 5 11 16 5 6 6 5 4 8 10 11 12 15 16 10 4 10 8 9 7 7 9 11 15 16 8 11 8 7 9 6 11 9 7 4 3 5 6 4 6 7 12 0 39 12 12 12 16 22 81 26 85 9 2 9 13 5 34 10 6 4 4 6 10 4 4 4 4 5 30 5 4 3 3 4 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 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 4 3 3 4 3 3 3 4 4 3 4 4 4 3 4 4 4 4 5 6 5 4 5 7 6 7 6 8 8 6 8 18 34 16 28 100 100 25 10 6 8 5 4 5 5 5 4 5 4 4 4 5 6 5 7 8 8 11 36 81 18 11 9 6 4 4 4 4 4 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 4 3 3 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; 1HNMR: 79 79 s 1H | 74 73 m 4H | 44 44 q 2H J 64 | 37 37 m 1H | 22 21 ddd 1H J 69 76 146 | 20 19 m 1H | 18 17 tp 1H J 49 70 | 17 15 m 4H | 15 14 m 2H | 14 13 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(C(=O)CC(=O)OC(C)(C)C)ccn2)on1
ir: 19 5 4 6 5 5 6 5 11 17 13 9 12 14 17 11 7 8 6 19 23 27 12 20 23 13 27 15 4 4 3 5 7 22 27 7 8 7 9 15 17 10 3 3 3 4 5 4 4 4 3 6 12 7 6 6 8 4 4 3 8 11 10 7 28 12 8 36 46 30 14 4 15 34 72 35 6 6 5 6 5 6 3 4 6 7 5 5 18 4 3 4 4 4 4 7 5 5 3 6 42 2 4 4 12 13 23 5 7 9 0 24 16 6 4 6 8 13 12 19 41 28 36 21 20 24 25 33 31 39 29 30 6 7 7 3 6 29 29 7 15 13 22 20 40 90 42 8 8 6 17 5 14 28 7 7 45 9 6 6 4 2 5 17 7 4 3 4 3 3 3 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 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 7 7 9 4 7 9 11 12 10 10 5 6 5 13 12 80 20 23 50 68 100 43 14 10 5 5 4 4 3 3 3 3 3 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 87 d 1H J 47 | 82 82 d 1H J 21 | 78 77 dd 1H J 22 48 | 67 66 s 1H | 43 42 s 2H | 23 23 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN1CCN(C(=O)OC(C)(C)C)CC1
ir: 1 8 1 5 14 9 6 6 6 20 35 10 4 8 7 7 2 3 2 2 1 1 1 1 3 1 0 1 1 1 1 2 1 0 0 1 1 1 2 1 1 3 2 1 1 0 2 1 1 0 1 1 1 3 5 5 2 4 5 3 3 5 2 4 3 2 2 6 2 1 1 1 2 4 6 10 11 15 22 100 37 1 2 5 11 5 3 3 2 3 1 2 0 1 2 1 1 2 4 3 2 8 2 2 2 1 1 1 0 1 1 1 2 6 4 2 2 3 4 8 11 10 12 9 3 3 2 5 5 4 6 11 5 2 4 4 4 3 3 1 0 1 1 0 0 1 1 0 1 3 8 44 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 1 1 2 1 3 1 1 2 1 1 2 9 9 6 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 11 16 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 38 37 d 2H J 26 | 34 34 m 4H | 28 27 m 5H | 26 25 t 1H J 25 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cccc(NCc2ccccc2)c1
ir: 8 7 9 18 4 3 4 6 14 9 7 8 8 3 4 4 7 13 4 5 2 3 5 3 8 8 12 12 10 8 17 14 6 5 6 2 4 10 12 2 14 8 3 3 2 6 17 45 6 2 2 1 1 2 2 1 1 2 1 2 1 5 2 1 1 1 4 7 11 5 1 1 1 1 1 1 1 2 2 1 2 4 1 1 1 0 0 1 2 6 3 2 10 7 3 3 2 4 7 4 3 3 10 5 3 2 1 11 2 2 2 1 1 1 2 2 0 3 9 6 3 4 2 2 3 3 2 3 4 3 4 4 1 3 3 14 3 4 4 15 21 40 8 19 10 55 8 3 4 9 13 8 2 26 4 2 4 48 13 2 2 1 11 21 4 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 4 11 8 6 21 44 26 21 4 0 2 2 2 0 2 2 1 1 1 1 1 1 2 2 2 3 8 3 10 25 100 14 12 2 3 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 72 m 8H | 72 71 s 1H | 70 69 t 1H J 21 | 66 66 ddd 1H J 14 22 77 | 51 50 t 1H J 53 | 44 43 dt 2H J 9 53 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccc(OC(CCC2=CCCCC2)C(=O)O)cc1
ir: 2 2 1 2 3 7 3 7 0 9 5 2 1 5 1 3 2 2 3 6 6 50 69 12 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 0 1 2 2 1 1 2 2 2 7 17 11 5 7 0 1 1 1 1 2 4 2 2 1 2 1 3 1 2 3 3 1 1 3 3 8 100 9 14 5 3 1 1 4 3 2 3 5 1 1 1 2 2 13 5 2 6 1 1 1 1 1 0 2 1 3 3 3 4 1 1 3 5 3 7 3 1 1 2 2 3 2 3 4 5 2 1 0 5 11 11 4 2 0 1 2 1 1 3 3 66 13 9 50 19 6 2 3 2 5 3 2 1 2 1 0 1 0 0 0 1 0 0 2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 1 1 1 2 1 1 2 1 2 1 2 5 5 6 8 17 10 4 4 1 1 1 1 0 8 70 15 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 76 76 m 1H | 74 74 m 2H | 70 69 m 2H | 64 63 d 1H J 163 | 57 56 th 1H J 10 45 | 46 45 t 1H J 64 | 38 37 s 2H | 25 24 dtq 1H J 12 88 145 | 24 22 m 2H | 22 21 ddq 2H J 10 56 64 | 20 19 m 3H | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Br)ccc1Sc1ccccc1
ir: 2 2 2 2 2 3 5 4 3 2 3 5 4 4 5 5 5 5 13 17 37 47 79 9 7 4 3 3 4 4 4 3 4 2 3 3 7 3 3 8 40 10 2 3 2 2 2 2 2 2 2 2 2 4 12 4 2 3 2 1 2 2 2 1 2 3 2 3 16 0 3 2 3 3 3 3 19 42 7 4 5 3 3 3 8 3 3 3 4 4 2 4 19 2 3 3 4 2 3 2 2 2 2 2 2 10 7 2 1 2 2 2 1 2 2 2 2 3 12 5 2 2 4 13 6 4 3 2 2 3 4 3 4 19 28 5 4 5 4 2 1 33 35 5 4 34 8 4 3 4 22 11 4 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 5 5 14 7 9 23 100 24 6 6 5 4 2 3 3 61 12 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 81 81 d 1H J 25 | 77 76 dd 1H J 26 81 | 75 75 m 2H | 74 74 d 1H J 82 | 74 73 m 2H | 72 72 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(F)c(Oc3ncnn4cc(C(C)(C)O)c(C)c34)ccc2[nH]1
ir: 12 24 3 3 4 4 2 2 1 16 24 12 18 10 5 1 3 4 6 2 9 8 4 2 3 7 9 41 67 8 2 6 3 1 3 3 5 6 7 3 3 2 2 3 3 1 3 2 2 0 1 2 3 3 12 26 4 9 7 2 1 1 5 4 3 2 6 3 7 8 6 7 3 4 4 5 4 15 22 27 13 9 10 5 2 1 8 5 2 2 2 2 1 6 5 7 52 23 12 19 23 4 2 2 2 2 5 5 2 3 6 15 0 5 12 3 2 9 5 4 3 10 15 14 4 3 4 5 1 18 18 2 2 2 5 12 4 1 2 1 4 7 1 1 1 2 12 18 2 3 4 1 1 20 13 6 4 3 21 12 1 3 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 2 1 2 3 2 2 3 4 5 3 3 5 11 4 6 13 28 17 29 12 3 4 9 100 11 0 1 2 1 1 1 2 1 1 1 3 3 3 4 12 4 9 31 8 5 3 2 2 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 s 1H | 87 86 s 1H | 78 78 s 1H | 71 71 d 1H J 84 | 70 70 dd 1H J 48 84 | 64 64 dd 1H J 8 44 | 43 43 s 1H | 24 24 s 5H | 16 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccc1C(=O)O)OCCBr
ir: 1 4 0 0 1 1 4 3 1 2 2 2 3 6 3 3 10 13 6 7 41 32 65 24 12 5 3 4 2 2 2 5 6 2 1 2 2 1 1 3 4 2 43 3 0 1 1 0 2 2 2 1 2 0 2 5 2 2 1 1 1 1 1 1 1 0 1 8 2 4 0 1 1 1 6 14 4 5 22 19 3 1 1 2 1 3 1 4 3 3 9 3 2 1 1 0 1 0 2 2 3 2 7 2 5 5 1 1 1 1 1 5 11 4 3 4 8 14 2 6 13 4 3 1 1 2 3 2 2 1 1 1 1 1 1 3 9 1 1 1 1 1 3 13 18 18 17 4 4 1 12 3 1 1 1 1 1 1 0 0 0 2 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 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 1 1 1 2 2 3 3 2 1 1 1 1 4 8 5 7 25 15 2 1 1 1 1 1 1 19 100 43 3 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 1H | 75 74 td 1H J 16 76 | 74 73 m 2H | 45 45 t 2H J 38 | 38 38 d 2H J 7 | 37 36 t 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cn(-c2ccc(Br)cn2)cn1
ir: 2 1 1 1 2 1 1 2 3 6 4 2 3 2 0 4 3 1 1 3 11 12 2 2 3 9 4 3 8 3 3 3 3 2 2 4 34 10 8 2 2 0 1 2 1 1 1 2 1 0 1 2 4 4 2 6 7 2 1 1 2 15 6 3 2 1 1 2 1 1 3 3 2 2 2 3 3 1 12 4 2 3 18 4 11 21 32 39 17 7 9 2 5 17 8 24 7 12 11 4 14 5 56 6 7 2 1 1 1 1 1 2 2 1 5 4 2 1 3 2 3 4 3 3 11 3 3 4 4 7 4 2 1 1 1 1 1 4 2 0 0 1 1 1 1 2 5 20 2 1 1 0 0 1 0 0 0 1 1 0 1 1 6 8 1 1 1 1 1 1 0 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 3 3 6 15 14 7 34 22 30 100 14 11 5 2 1 3 4 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 d 1H J 16 | 84 84 d 1H J 19 | 81 81 d 1H J 80 | 77 77 dd 1H J 20 81 | 76 75 dt 1H J 9 19 | 47 46 dd 2H J 9 51 | 32 31 t 1H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc2cnc(-c3ccccc3Cl)c(O)c2cn1)C1CC1
ir: 13 4 4 3 12 11 4 2 2 4 3 7 3 3 5 4 4 7 44 32 4 8 8 9 5 5 5 4 6 7 14 13 47 46 45 33 31 66 81 61 60 40 48 45 21 29 8 7 6 2 2 5 3 9 6 5 7 4 3 6 1 1 3 2 2 1 1 4 3 6 8 2 4 6 3 9 5 2 5 24 23 38 22 12 7 8 6 14 4 6 7 4 43 47 20 8 21 11 3 4 2 2 1 3 33 26 2 5 6 6 3 7 8 4 4 9 6 4 2 2 8 27 2 1 2 1 0 1 1 2 2 10 12 4 3 8 11 5 6 7 11 6 3 10 9 11 11 58 63 43 54 100 33 38 38 13 4 15 8 3 4 8 8 1 1 0 1 3 46 5 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 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 0 2 2 1 4 9 6 12 7 8 16 28 35 29 12 7 9 4 2 19 80 26 4 2 2 2 3 3 2 1 2 2 4 6 5 10 48 67 54 6 3 4 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 91 s 1H | 87 87 d 1H J 18 | 80 80 s 1H | 77 77 dd 1H J 12 83 | 77 76 d 1H J 18 | 75 75 m 2H | 74 73 ddd 1H J 12 72 81 | 24 24 p 1H J 55 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(C)c2c[nH]cn2)c1C
ir: 1 1 2 5 3 2 3 3 0 2 2 1 1 1 1 1 2 1 2 2 0 1 1 1 0 1 0 0 0 1 1 3 6 3 2 15 59 6 2 1 0 1 0 0 4 10 100 29 4 2 3 3 8 1 0 1 1 1 1 1 1 0 3 1 2 9 3 7 9 5 11 8 3 7 6 3 2 3 2 3 2 5 2 2 1 1 2 2 3 6 9 10 12 24 41 23 2 13 31 6 10 18 19 17 8 9 4 2 1 4 8 3 11 4 5 6 14 16 12 10 11 8 3 2 3 1 1 8 17 4 7 3 2 1 2 2 5 6 25 6 65 9 5 1 2 1 1 1 0 1 1 1 1 1 1 1 2 3 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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 1 1 1 0 1 2 1 4 6 6 1 2 1 1 2 2 2 4 5 2 8 40 40 20 16 46 35 76 11 3 3 2 4 2 4 6 50 45 14 5 3 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 1H J 16 60 | 72 71 m 3H | 70 70 dq 1H J 11 76 | 61 60 dd 1H J 48 60 | 44 43 m 1H | 23 22 s 2H | 22 22 d 3H J 7 | 17 16 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CC1CCOC1)c1ccc(S(C)(=O)=O)c(Cl)c1
ir: 5 7 8 4 10 42 8 3 0 4 3 28 9 14 25 6 7 7 4 4 1 3 20 3 1 3 3 1 3 15 5 1 3 2 1 1 11 4 23 5 1 2 1 1 4 2 2 1 2 3 4 6 3 6 14 38 9 16 4 2 3 2 2 4 5 35 100 13 3 4 1 1 4 3 1 17 7 3 3 2 5 4 0 0 66 39 22 33 11 1 6 5 11 28 20 9 3 6 6 4 6 3 3 11 7 7 20 10 7 5 2 3 5 8 8 4 3 2 4 8 1 5 20 13 1 3 3 3 2 4 4 2 2 1 1 2 4 2 17 2 2 3 1 5 47 1 1 4 2 8 28 12 3 12 2 1 1 1 1 0 1 10 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 5 0 1 2 2 3 4 4 3 1 5 11 9 24 16 11 39 43 21 4 6 1 1 2 1 0 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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: 79 79 d 1H J 94 | 77 77 dd 1H J 8 21 | 74 74 m 1H | 38 37 m 3H | 37 37 s 3H | 37 36 ddd 1H J 24 42 108 | 35 34 m 1H | 33 32 s 2H | 23 21 m 2H | 21 20 m 1H | 20 19 ddd 1H J 73 81 141 | 19 18 dddd 1H J 26 45 59 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CC1(O)C(=O)N(C2CCN(C3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21
ir: 6 5 1 4 5 3 4 7 3 4 3 10 11 14 19 9 2 4 13 12 11 8 8 12 4 16 16 27 9 7 13 9 8 7 3 3 5 8 11 2 5 4 3 39 35 6 8 8 5 2 3 9 6 4 2 15 6 1 3 0 3 2 3 3 3 2 2 3 2 2 2 4 7 5 2 2 7 6 2 1 3 7 24 7 7 3 2 1 3 7 6 8 3 3 8 13 6 10 4 2 2 2 3 7 8 16 4 10 8 3 0 13 8 4 3 8 9 5 7 5 5 7 4 9 8 9 3 6 6 3 5 6 4 3 2 3 4 5 13 3 2 3 9 7 22 100 17 3 5 13 6 8 1 1 1 5 1 0 0 2 4 1 0 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 3 3 4 4 2 2 3 3 3 4 11 3 11 33 33 9 6 4 26 40 9 7 3 0 1 2 1 0 1 1 1 1 2 5 19 22 9 7 5 5 4 2 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 75 73 m 5H | 73 72 td 1H J 13 77 | 72 71 ddd 1H J 11 75 84 | 71 70 q 1H J 45 | 69 69 dd 1H J 11 79 | 45 45 s 1H | 45 44 p 1H J 46 | 36 35 m 1H | 33 33 m 1H | 31 30 m 3H | 30 30 d 3H J 44 | 29 28 m 3H | 22 21 ddt 2H J 47 75 121 | 20 19 ddt 2H J 47 77 121 | 16 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ncn1
ir: 1 1 1 2 2 2 2 4 2 3 6 2 1 1 2 2 2 2 2 1 1 1 3 1 1 2 3 3 3 5 4 4 4 4 14 26 6 5 4 3 4 2 3 6 5 2 6 2 4 2 2 3 5 3 5 6 11 8 2 2 2 2 5 8 15 22 8 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 2 3 4 1 1 1 1 2 3 1 1 2 5 7 2 4 8 4 3 1 1 1 1 1 1 11 7 2 1 2 2 2 1 1 1 2 2 3 5 2 1 2 2 1 1 1 2 1 1 2 7 20 20 8 11 7 19 10 6 14 4 14 8 18 9 12 8 1 1 5 5 4 100 0 8 9 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 2 2 1 1 1 1 1 2 1 1 5 6 12 18 15 4 4 8 2 1 1 1 1 1 1 1 1 2 1 1 3 2 2 6 10 13 25 58 35 10 10 4 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 82 82 d 1H J 14 | 75 74 m 3H | 73 72 m 2H | 72 71 m 2H | 61 60 q 1H J 47 | 56 56 d 1H J 16 | 36 36 s 2H | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Br)cc(OCc2ccccc2)c1
ir: 1 0 1 0 0 1 1 3 1 1 1 1 0 1 1 0 1 0 1 0 0 0 1 0 0 1 1 1 2 3 2 2 1 1 1 1 1 2 4 31 27 6 2 2 1 1 2 1 0 0 1 1 0 0 1 0 0 1 1 1 3 1 1 1 9 32 27 7 7 4 4 5 3 1 1 1 0 1 1 1 0 0 0 1 1 1 0 1 1 21 3 1 1 1 1 1 1 2 2 2 1 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 1 1 2 4 1 3 3 2 1 0 1 1 1 8 11 7 1 1 1 1 1 8 43 3 3 5 1 1 1 1 2 4 2 1 1 1 1 12 10 6 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 4 4 11 13 39 100 17 18 3 2 6 4 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 74 73 m 1H | 71 70 dt 1H J 22 123 | 69 69 t 1H J 22 | 67 66 dt 1H J 22 121 | 50 49 d 1H J 19 | 50 49 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(=O)OCC
ir: 5 10 8 7 4 4 3 2 28 14 2 4 2 1 10 1 1 2 2 4 9 6 2 3 3 1 2 1 1 0 1 1 3 2 1 4 2 1 1 3 2 1 7 3 19 45 21 44 12 5 16 19 100 25 6 1 5 6 3 3 2 2 2 3 3 1 1 2 2 2 2 3 6 3 5 3 5 4 5 2 3 1 2 3 1 4 26 26 23 26 12 7 2 13 10 6 1 8 21 13 4 19 5 5 42 11 3 1 2 2 2 4 9 10 6 21 12 8 3 4 4 3 6 3 1 1 1 3 1 1 1 2 9 3 1 1 1 1 1 2 2 1 1 1 8 9 7 4 6 3 6 19 12 34 41 14 3 3 8 5 5 7 1 1 2 3 2 1 1 1 1 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 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 2 3 10 2 4 23 30 8 3 4 3 6 26 80 23 3 1 1 2 2 4 4 3 2 2 2 3 11 13 23 60 27 16 2 2 2 2 2 1 1 1 1 0 0 1 1 0 0 1 0 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 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; 1HNMR: 85 84 s 1H | 82 82 d 1H J 73 | 82 81 d 1H J 21 | 75 75 dd 1H J 22 73 | 65 65 t 1H J 37 | 43 43 q 2H J 63 | 35 34 hept 1H J 33 | 33 32 qd 2H J 37 61 | 14 14 t 3H J 64 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(Cl)cc1)C12CCCNC1COc1c(F)ccc(F)c12
ir: 1 8 17 7 2 1 2 7 1 2 5 1 13 8 24 16 2 3 15 6 11 4 1 1 2 5 3 3 4 1 1 1 6 19 9 13 3 1 2 20 7 11 4 10 13 4 2 1 4 3 4 10 38 89 30 24 18 15 17 1 2 4 10 10 7 4 2 5 5 17 3 1 1 1 1 1 3 0 2 15 2 25 4 38 6 12 4 5 4 2 0 2 100 21 6 8 4 1 2 3 8 3 10 1 2 4 10 41 26 29 7 5 6 4 6 8 9 5 9 3 3 3 8 26 4 12 20 16 9 14 11 10 5 4 2 1 1 3 1 2 5 6 11 7 3 3 10 10 7 2 1 3 10 4 1 2 1 1 1 6 4 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 6 3 2 2 2 12 12 32 24 34 7 9 6 3 2 2 0 2 2 1 1 2 2 2 1 6 3 5 18 49 9 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 1 1 0 0 1 1 0 0 1 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; 1HNMR: 78 77 m 2H | 76 76 m 2H | 72 71 ddd 1H J 47 86 101 | 70 70 ddd 1H J 47 86 101 | 45 44 dd 1H J 41 106 | 43 42 dt 1H J 41 75 | 42 41 dd 1H J 41 106 | 36 35 dt 1H J 33 74 | 30 29 m 1H | 28 27 m 1H | 27 26 ddd 1H J 54 81 148 | 24 23 ddd 1H J 53 81 147 | 19 18 ddtd 1H J 27 54 81 135 | 18 17 ddtd 1H J 27 54 81 133
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC1(CO)C(=O)NCC(=O)N1CCCC1
ir: 17 10 20 5 14 9 11 10 12 31 38 26 22 20 18 21 11 21 10 34 22 16 11 23 19 13 17 19 17 16 23 22 14 25 25 14 22 25 22 27 11 12 32 19 25 55 11 9 12 10 21 11 10 12 18 7 11 10 12 8 11 4 13 5 5 4 7 6 6 4 6 4 5 4 5 7 14 3 5 5 6 8 5 5 4 5 7 8 8 15 14 7 21 13 15 12 25 11 17 11 23 52 37 18 8 39 33 16 31 15 9 11 6 9 9 11 9 15 7 22 14 6 10 28 12 24 8 10 9 25 32 70 45 75 12 7 8 6 4 5 7 12 7 27 65 0 100 81 7 12 14 47 3 7 5 2 3 5 4 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 4 4 5 3 3 4 4 3 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 7 6 6 5 7 12 10 5 8 5 8 8 9 17 81 14 6 9 12 15 62 24 65 26 14 7 6 8 4 3 5 5 5 5 5 3 5 6 4 8 8 13 31 35 16 8 7 4 4 3 3 4 4 4 4 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 77 76 t 1H J 58 | 41 40 m 4H | 38 38 t 1H J 90 | 38 37 ddd 1H J 45 62 124 | 36 36 ddd 1H J 45 63 125 | 34 33 td 4H J 20 37 | 24 23 ddd 1H J 47 66 135 | 21 20 dtt 1H J 47 64 129 | 20 18 m 7H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)N1C(=O)C2C=CC1C2
ir: 5 11 22 12 50 12 14 9 5 10 14 9 6 12 13 22 13 14 14 11 21 42 43 14 10 32 48 17 25 26 15 11 11 15 14 21 40 37 63 57 8 24 14 0 9 30 53 54 18 18 12 11 20 16 11 7 9 14 11 13 17 44 41 8 31 42 12 5 14 25 9 5 12 16 13 14 15 27 25 17 31 28 8 6 12 13 9 15 23 16 7 8 18 15 6 17 20 14 6 10 14 12 7 9 14 13 27 38 87 21 41 16 19 12 14 21 18 18 23 32 43 15 10 13 17 9 10 20 23 10 6 14 15 19 25 48 68 100 65 42 14 13 9 16 17 30 47 35 20 53 56 25 34 71 67 53 14 9 9 14 10 6 9 13 10 5 9 13 9 5 9 13 9 5 9 13 9 5 10 13 8 6 10 12 8 6 10 12 8 6 10 12 7 6 11 12 7 7 11 11 7 7 11 11 7 7 12 11 6 8 12 10 6 8 12 10 6 9 13 10 5 9 13 9 5 9 13 9 5 9 13 9 5 9 13 9 6 10 13 8 6 10 12 8 6 10 12 8 6 11 12 7 7 11 11 7 7 11 11 7 8 12 11 7 8 12 11 7 9 14 13 10 10 13 12 10 17 23 24 14 20 20 18 31 42 45 85 59 22 17 21 22 14 12 10 7 10 12 8 7 10 12 8 7 10 11 8 7 11 11 8 7 11 11 7 7 11 11 7 8 11 10 7 8 11 10 7 8 12 10 6 8 12 10 6 9 12 9 6 9 12 9 6 9 12 9 6 9 12 9 6 10 12 8 6 10 12 8 7 10 11 8 7 10 11 8 7 10 11 7 7 11 11 7 8 11 10 7 8 11 10 7 8 11 10 7 8 11 10 6 8 12 9 6 9 12 9 6 9 12; 1HNMR: 68 68 dddt 1H J 9 18 36 72 | 65 64 dddt 1H J 9 18 51 76 | 51 51 tddd 1H J 11 18 37 48 | 35 34 dtdd 1H J 10 18 40 49 | 27 26 hept 1H J 70 | 24 23 dddt 1H J 9 40 47 104 | 22 21 dddt 1H J 9 40 49 108 | 11 11 dd 6H J 70 111
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.