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Cc1cc(CN(C)C)cc(C(C)(C)C)c1O
ir: 11 5 4 4 2 3 10 5 3 1 1 2 4 2 1 1 4 4 3 3 6 6 3 4 7 3 1 2 1 2 1 1 1 2 3 2 1 2 12 19 16 4 2 3 2 0 12 4 2 2 1 1 2 2 5 5 1 3 2 2 65 10 11 8 20 6 20 26 20 9 5 8 2 3 5 4 4 4 10 6 6 12 67 22 4 4 8 89 6 10 22 23 65 34 8 4 7 12 16 11 2 2 4 2 1 1 2 9 11 4 4 2 1 1 2 3 5 5 8 7 4 7 3 3 3 2 5 1 2 10 5 4 4 26 5 1 1 3 2 4 38 14 5 1 1 1 1 1 18 5 1 0 1 1 1 0 1 2 1 0 1 1 1 2 5 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 3 2 2 3 4 2 1 1 1 4 4 2 1 1 2 1 2 1 1 2 3 5 5 13 3 8 59 21 3 4 3 1 3 23 100 34 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 2 2 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 71 71 dt 1H J 9 20 | 70 69 dd 1H J 10 20 | 47 47 s 1H | 36 36 d 2H J 9 | 23 23 s 6H | 21 21 s 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C2CC3CCCC3C21
ir: 11 8 12 7 6 6 8 7 14 12 28 13 9 7 7 4 10 6 11 3 1 3 3 1 2 4 5 3 2 3 3 2 3 7 12 31 43 46 11 18 7 5 4 2 4 8 6 2 6 12 10 6 3 14 9 2 4 5 3 2 3 5 6 6 7 11 3 3 4 4 7 7 17 12 14 20 5 4 2 2 8 5 16 2 9 7 11 21 7 3 6 3 9 30 3 7 12 5 7 5 5 5 3 8 13 28 61 53 26 37 7 10 5 10 2 23 16 7 3 4 5 3 2 3 6 8 15 24 19 11 16 10 7 7 2 7 6 8 15 28 26 34 14 25 23 22 45 88 91 15 5 12 22 31 17 30 4 2 2 3 2 1 1 3 2 0 2 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 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 2 1 1 3 2 2 2 6 3 2 3 5 6 13 9 4 10 11 8 15 19 35 56 100 20 38 21 8 6 2 3 4 1 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 2 3; 1HNMR: 42 41 p 2H J 64 | 24 24 m 1H | 24 23 m 2H | 22 21 m 1H | 19 19 ddt 1H J 49 69 79 | 19 18 ddd 1H J 33 49 128 | 16 15 m 3H | 15 14 m 2H | 14 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCS(=O)c1ccc(-c2ccc(Cl)cc2)cc1
ir: 4 7 7 10 3 2 4 1 1 2 5 1 11 6 11 14 6 2 2 1 1 1 1 1 1 6 7 3 1 1 1 1 3 1 2 1 1 3 4 0 9 3 2 2 2 4 3 2 1 2 4 4 37 100 17 4 8 10 1 0 2 4 13 4 15 9 14 4 10 6 1 0 2 2 1 1 3 2 2 1 2 3 10 3 1 2 5 67 4 1 1 2 2 2 1 2 3 4 18 9 5 13 32 12 8 4 3 5 29 2 3 1 8 4 13 6 3 7 5 34 22 11 14 5 3 5 4 4 2 2 8 5 3 3 1 2 3 9 3 2 3 4 10 66 44 38 28 3 5 6 3 5 8 3 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 8 9 5 11 5 3 4 2 3 5 4 6 52 20 81 88 46 18 11 26 5 5 7 2 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H | 78 77 m 2H | 75 75 d 4H J 9 | 37 36 s 2H | 30 29 t 2H J 83 | 23 22 m 2H | 19 18 tt 2H J 67 83 | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@@H]1CCCN1N=C1CCCc2cc(I)ccc21
ir: 6 5 6 9 9 18 18 19 14 15 13 12 28 9 13 20 16 27 22 14 13 19 18 17 7 13 7 7 10 3 7 6 3 3 3 4 10 14 2 5 2 5 6 12 11 11 8 17 13 3 9 10 15 19 31 21 23 2 9 10 4 0 4 12 13 33 31 30 54 24 3 5 8 7 8 4 2 2 2 12 5 0 5 5 23 15 19 10 12 42 22 10 4 14 18 16 14 12 2 12 7 5 25 45 24 12 9 8 13 15 28 24 17 12 14 9 14 21 18 14 10 9 62 84 87 11 23 11 16 9 28 21 9 6 2 3 1 2 1 19 28 4 2 1 1 3 3 7 49 11 4 2 29 35 49 5 4 4 2 2 2 7 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 3 2 0 1 3 2 2 3 7 6 13 11 14 18 11 15 11 7 5 9 85 95 28 27 100 67 19 13 11 7 3 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 77 76 m 2H | 75 75 dt 1H J 9 19 | 36 35 dd 1H J 52 102 | 33 33 s 3H | 33 33 m 1H | 33 32 m 1H | 29 29 m 2H | 28 27 m 3H | 27 26 ddd 1H J 35 53 111 | 21 18 m 5H | 18 17 dtd 1H J 38 57 118
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNc1c(F)cc(F)c2oc(-c3ccc(NC(=O)C(C)(C)C)c(F)c3)cc(=O)c12
ir: 4 2 3 4 4 3 2 2 3 3 3 3 5 3 2 2 2 2 4 4 8 6 5 5 9 17 3 4 29 6 47 23 11 21 5 7 7 6 17 19 54 7 4 4 3 2 4 7 15 7 4 3 3 3 6 5 13 8 4 2 3 7 14 14 34 49 11 14 4 5 2 2 2 4 3 3 3 2 2 2 2 2 5 3 2 4 2 2 2 2 2 2 2 2 4 5 3 2 2 2 3 6 3 5 3 2 2 3 2 4 4 5 4 3 4 3 2 8 6 4 2 5 27 18 9 5 7 4 3 6 15 7 7 3 6 8 14 7 4 8 4 7 14 25 33 6 27 1 2 8 14 61 16 100 6 5 7 1 9 3 2 0 6 4 5 6 3 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 2 2 2 1 3 5 10 18 9 4 31 30 35 11 5 4 4 3 2 2 2 2 1 1 3 2 2 4 3 5 5 10 9 20 41 37 56 38 11 9 6 5 4 3 4 3 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 d 1H J 29 | 79 79 dd 1H J 47 94 | 78 77 dd 1H J 22 93 | 77 76 dd 1H J 21 121 | 71 70 m 2H | 67 67 s 1H | 33 33 q 2H J 49 | 17 16 tt 2H J 50 69 | 14 13 m 5H | 12 12 s 7H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N)nc2c1C(=O)CC(c1cccc(F)c1)C2
ir: 3 2 2 2 2 2 2 2 2 2 3 5 2 4 3 4 2 2 3 3 3 2 2 3 2 3 2 3 2 3 2 4 3 3 2 2 2 2 4 11 8 6 10 2 3 2 2 16 2 2 3 3 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 4 4 2 2 3 2 2 2 2 2 2 2 2 2 1 1 1 2 1 1 2 2 2 1 1 1 1 1 2 2 2 2 1 2 1 2 2 2 2 2 2 1 2 3 2 2 3 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 3 4 4 4 4 15 9 4 3 2 2 3 17 8 6 33 5 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 3 4 4 2 10 3 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 6 5 2 2 2 2 1 2 3 1 0 5 10 100 5 0 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 73 73 td 1H J 49 76 | 71 70 ddt 1H J 10 20 79 | 70 69 m 2H | 59 59 s 2H | 36 35 tt 1H J 66 73 | 34 33 dd 1H J 68 159 | 32 31 dd 1H J 68 159 | 30 30 dd 1H J 75 159 | 27 27 dd 1H J 75 159 | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nn2ccccc2c1-c1ccc(N2CCOCC2)cc1
ir: 1 3 1 3 8 3 3 2 2 2 2 2 3 6 2 7 9 19 9 2 3 2 12 36 7 6 14 3 5 7 3 9 9 4 7 4 1 25 3 3 4 1 2 8 14 43 75 7 1 4 3 2 8 61 62 49 12 10 49 8 3 12 27 9 11 22 4 5 19 34 18 11 25 25 8 8 29 6 2 10 6 4 7 10 7 11 15 4 3 11 3 9 9 3 5 12 14 17 9 22 17 8 4 6 3 8 30 53 0 5 5 4 2 3 5 5 35 6 19 7 8 3 2 5 11 24 20 7 8 5 6 1 3 5 18 100 14 28 1 2 3 10 5 8 26 6 12 11 8 36 7 9 56 31 4 74 4 5 2 1 1 2 1 1 2 1 1 0 16 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 1 1 6 7 2 4 12 4 8 11 18 27 8 46 92 90 56 57 46 8 6 3 3 2 6 1 1 1 2 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 89 88 dd 1H J 15 69 | 80 79 dd 1H J 15 91 | 75 75 s 1H | 75 74 m 1H | 75 75 s 1H | 72 71 td 1H J 13 72 | 69 68 m 2H | 39 38 m 4H | 33 32 m 5H | 14 13 d 6H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccnc2N(C(=O)CCl)c2cc(Cl)ccc21
ir: 11 4 10 7 0 4 6 4 7 8 9 4 6 11 14 4 0 3 8 16 2 5 19 6 5 10 6 2 15 14 6 4 4 21 23 7 11 30 25 52 21 42 100 21 9 9 13 12 9 5 6 9 5 18 28 11 3 6 2 0 4 15 19 13 7 5 3 8 16 5 2 1 3 4 2 2 5 4 2 2 4 3 1 2 5 11 9 3 8 6 4 2 5 4 2 8 10 4 2 2 4 5 5 12 17 18 5 3 5 4 3 19 15 6 2 4 6 3 3 4 6 3 12 11 4 5 6 12 9 3 60 45 30 13 3 5 5 4 5 4 5 2 3 14 8 10 36 15 12 44 4 10 15 3 19 92 21 3 5 12 11 16 6 6 3 1 3 4 2 0 2 4 2 0 3 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 4 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 5 4 3 6 4 4 1 3 6 4 2 22 28 14 85 51 25 5 3 4 7 3 3 3 5 3 2 4 3 2 2 4 4 3 4 7 15 12 16 29 20 8 6 6 5 2 2 3 3 1 2 4 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 84 83 dd 1H J 21 45 | 81 81 dd 1H J 20 82 | 81 80 d 1H J 21 | 80 80 d 1H J 86 | 73 72 m 2H | 43 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(C)C(=O)c1ncccc1N
ir: 3 5 3 3 4 5 8 4 5 6 4 6 5 5 5 5 4 6 12 9 7 22 22 12 11 13 11 18 15 14 6 9 47 15 3 6 12 8 3 2 9 9 3 3 6 5 5 6 4 4 3 4 3 2 4 5 4 4 3 3 3 4 9 10 5 4 5 4 5 3 5 4 4 6 4 3 3 3 6 6 3 3 2 3 3 2 4 6 7 12 24 7 4 5 2 3 5 2 3 5 3 3 2 2 2 2 2 2 10 5 2 2 2 3 3 2 4 8 5 9 8 4 3 3 4 3 4 5 4 9 4 5 5 4 5 3 8 3 10 3 2 2 2 2 5 24 7 3 2 3 3 3 3 16 52 16 4 3 3 0 65 4 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 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 3 2 3 3 3 3 4 3 3 2 3 3 5 5 6 3 8 8 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 9 18 7 2 2 2 2 2 4 4 8 9 100 30 5 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 dd 1H J 22 46 | 75 74 dd 1H J 20 79 | 73 72 dd 1H J 47 78 | 62 61 s 2H | 36 35 m 5H | 33 33 s 3H | 31 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
ir: 1 1 2 1 1 1 2 1 2 1 2 1 1 2 1 2 3 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 9 5 9 14 4 1 0 1 1 1 0 1 1 3 9 2 7 2 2 1 2 1 1 1 1 1 1 1 1 2 2 4 9 5 4 4 8 7 3 2 1 1 1 1 5 16 5 5 2 1 1 9 2 3 1 1 1 1 1 2 1 1 1 1 1 1 3 2 3 1 2 1 1 2 2 2 2 2 0 0 1 1 0 0 1 1 1 2 2 1 1 1 1 1 3 8 9 1 1 1 1 2 1 1 1 1 1 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 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 2 3 16 8 8 3 1 2 5 4 20 100 18 3 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 75 74 d 1H J 79 | 73 73 dq 1H J 9 20 | 73 72 m 2H | 69 69 dd 1H J 21 78 | 69 69 m 2H | 50 49 dtd 1H J 52 60 73 | 27 27 d 1H J 51 | 15 15 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(/C=C/C(=O)O)cc1OC
ir: 1 1 0 0 1 1 1 1 1 1 1 5 7 1 1 1 1 2 6 5 9 36 37 8 3 2 3 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 2 6 3 1 0 1 1 1 0 1 2 2 1 1 4 3 6 2 1 1 1 2 2 2 2 25 5 4 6 1 2 1 2 2 4 4 1 2 2 1 1 1 1 0 1 1 6 1 1 1 2 1 1 2 3 2 2 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1 1 2 1 0 1 1 2 2 4 3 1 0 1 1 0 1 1 2 8 1 16 3 1 2 7 4 1 0 1 2 0 1 1 1 0 2 1 0 0 0 1 1 0 0 1 0 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 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 2 5 1 7 12 4 3 4 1 1 1 1 2 7 100 14 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 99 s 1H | 77 76 d 1H J 166 | 72 71 m 2H | 69 69 dt 1H J 9 82 | 64 63 d 1H J 167 | 40 40 t 2H J 64 | 39 39 s 3H | 18 17 p 2H J 67 | 15 14 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(c(C)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)CCN2
ir: 3 4 2 2 1 3 2 1 2 2 1 2 2 2 2 4 2 3 4 6 13 12 19 6 5 2 2 2 4 3 4 4 8 5 6 5 4 3 2 3 9 5 24 17 2 3 1 0 4 2 1 1 1 1 1 4 16 2 1 0 3 1 2 7 5 8 9 3 2 7 3 7 2 1 1 1 4 1 1 1 0 1 1 1 1 3 1 1 1 1 0 0 0 1 4 1 1 2 5 11 5 15 3 2 1 2 2 4 4 8 6 2 100 4 2 1 1 2 2 6 3 0 3 4 12 15 12 2 7 6 4 3 3 2 3 12 2 36 2 26 14 5 6 2 7 12 15 8 10 36 6 8 6 30 6 5 1 0 1 6 1 5 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 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 10 4 20 34 26 6 3 1 2 1 1 0 1 1 1 1 1 1 1 0 1 3 4 2 4 6 19 58 23 17 13 7 5 5 3 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 0 1 0 1 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; 1HNMR: 95 94 s 1H | 79 79 m 2H | 77 76 m 3H | 76 75 m 3H | 67 66 s 1H | 43 42 t 1H J 30 | 36 36 q 2H J 33 | 31 31 m 2H | 22 22 d 6H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccncc1Br
ir: 4 4 6 2 1 4 6 2 2 2 4 6 8 11 5 4 8 5 5 5 14 6 5 3 2 3 5 2 4 10 10 8 7 42 31 14 11 7 4 9 6 9 12 17 8 6 3 1 10 6 4 3 5 4 14 5 3 4 3 1 2 2 2 1 3 6 20 4 28 8 5 3 9 7 10 6 3 38 4 12 13 59 33 3 7 4 3 3 3 5 8 14 19 16 2 2 3 7 39 100 7 3 0 2 4 3 3 3 3 2 1 18 17 30 24 7 4 3 7 4 2 4 4 13 3 3 2 4 8 6 1 5 3 3 18 3 3 18 77 6 5 1 1 3 4 2 11 11 51 6 5 4 5 9 7 28 21 4 2 4 6 2 2 3 3 1 2 3 2 1 3 3 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 7 8 3 2 2 3 5 3 2 3 2 1 2 3 2 1 3 3 2 1 3 5 15 29 14 6 5 3 4 4 7 41 43 9 3 2 2 4 2 1 4 4 3 2 4 5 3 33 25 10 2 2 4 3 2 2 3 2 1 1 3 3 5 5 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 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: 95 95 s 1H | 88 88 d 1H J 14 | 87 87 dd 1H J 15 46 | 79 79 dq 1H J 9 20 | 79 78 s 1H | 78 78 d 1H J 46 | 75 74 ddq 1H J 13 25 79 | 70 70 d 1H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1nc(-c2ccncc2)n[nH]1
ir: 35 46 21 16 3 7 11 2 1 2 4 2 1 7 14 3 1 3 3 2 2 2 4 3 11 11 6 2 1 2 3 2 1 2 3 2 2 3 3 2 2 5 4 5 8 12 9 4 4 4 2 1 2 3 2 2 3 9 21 7 4 5 40 46 3 6 4 3 5 5 47 61 3 4 17 17 15 19 6 15 95 21 6 15 60 100 22 13 57 13 4 3 14 14 9 6 6 11 60 49 13 9 7 4 10 4 1 10 29 14 5 6 11 11 5 4 11 21 17 35 66 40 26 5 5 3 5 10 20 4 10 8 17 28 20 12 12 8 10 12 4 8 21 32 33 2 2 9 6 1 2 4 3 1 1 3 3 0 2 28 22 3 3 2 3 2 2 3 3 24 12 3 2 1 2 3 2 0 2 3 1 21 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 3 2 3 3 1 2 2 2 1 2 3 3 1 2 5 3 1 3 6 3 4 5 13 9 14 13 6 6 6 9 17 5 42 15 18 39 42 35 20 4 4 4 13 12 34 90 63 58 68 37 4 5 8 2 1 2 3 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 88 87 m 2H | 80 79 m 3H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C#N)c1ccc(Nc2c(CO)cnc3ccc(Cl)nc23)cc1
ir: 8 6 6 9 13 6 7 3 2 3 6 3 2 3 13 1 4 9 1 3 5 14 3 3 12 3 4 5 4 16 19 4 1 2 10 4 24 6 11 2 3 1 1 3 3 0 1 2 1 1 1 4 8 8 12 20 34 19 5 1 2 1 2 3 2 3 1 1 1 4 6 1 1 1 1 2 1 1 1 0 2 1 1 7 5 2 3 13 22 14 6 9 28 14 2 2 0 3 1 2 1 2 3 1 2 11 100 2 0 1 2 3 12 30 6 2 1 1 4 1 1 1 2 0 1 1 2 3 3 3 1 3 6 4 39 11 3 2 1 1 0 2 3 1 1 2 21 8 3 5 42 4 65 7 5 1 2 1 1 1 2 1 2 2 8 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 2 0 1 4 11 3 7 45 9 6 4 2 3 6 25 33 7 3 1 0 1 1 1 2 2 1 1 1 1 4 3 14 48 42 9 3 3 1 1 1 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 0 0; 1HNMR: 86 86 t 1H J 8 | 86 85 s 1H | 81 81 d 1H J 81 | 76 75 d 1H J 81 | 73 73 m 2H | 70 69 m 2H | 49 49 dd 2H J 8 60 | 39 38 t 1H J 60 | 18 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(F)CCCN(Cc1ccccc1)Cc1ccccc1
ir: 4 1 1 1 1 2 2 5 3 6 2 1 1 1 0 1 1 1 0 1 1 0 2 2 2 0 1 1 2 5 5 4 14 7 2 2 1 2 9 12 53 8 4 2 4 4 2 1 2 1 3 1 1 0 1 3 3 1 1 1 3 2 2 2 1 1 2 4 23 13 1 1 1 1 1 3 3 5 8 6 2 9 7 3 1 2 7 7 2 30 5 1 0 1 1 2 3 7 4 3 3 7 6 2 0 1 1 1 1 1 1 2 1 3 2 2 1 2 4 3 2 4 6 3 2 2 3 2 2 5 8 16 4 8 0 41 5 4 3 0 1 3 7 22 6 6 4 2 1 1 1 2 5 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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 2 1 1 1 2 3 2 1 1 2 3 2 4 5 19 11 17 100 32 12 3 1 2 4 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 10H | 36 35 d 4H J 9 | 26 26 t 2H J 50 | 18 17 dtd 2H J 7 79 141 | 16 16 m 2H | 16 16 s 3H | 16 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(-c2nocc2CCl)cc1
ir: 4 5 2 1 2 5 2 2 1 11 2 1 0 1 1 1 1 5 6 51 20 29 7 1 3 4 4 2 1 1 1 0 1 1 0 1 1 1 1 1 2 4 2 5 2 2 2 1 1 1 1 1 2 4 1 22 21 10 4 3 3 6 1 1 1 1 1 20 1 1 5 2 1 7 1 1 1 1 0 1 1 0 1 1 1 5 4 1 6 5 1 0 1 1 1 1 9 3 43 30 38 2 0 1 1 1 2 3 2 6 1 7 84 5 4 2 0 1 1 2 0 2 2 3 3 15 17 7 5 2 0 2 3 7 47 17 5 2 3 96 1 4 2 1 1 0 1 1 1 6 9 1 3 4 5 1 1 1 1 1 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 2 7 9 7 8 100 12 12 5 1 2 4 1 1 1 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 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; 1HNMR: 89 89 t 1H J 9 | 77 77 d 4H J 8 | 48 47 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCC(CC#C)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1
ir: 4 2 1 4 9 11 13 15 35 25 11 17 38 64 66 16 22 40 31 91 91 100 20 11 15 3 5 7 7 5 2 7 6 15 19 16 5 1 2 5 3 1 2 4 6 3 2 6 7 2 2 4 5 6 24 39 8 5 5 7 7 0 12 13 11 3 3 5 2 6 44 64 7 6 10 14 75 31 46 35 44 6 48 29 26 43 37 9 6 8 6 4 2 2 3 4 2 4 6 28 13 5 6 3 1 2 4 2 0 2 4 3 2 3 8 12 38 15 5 9 13 17 6 6 7 10 9 4 3 6 5 3 2 3 3 2 1 3 3 3 3 4 7 54 8 7 4 12 28 22 6 1 6 9 3 1 2 3 2 1 2 17 3 0 2 4 2 0 2 4 2 0 2 4 2 0 7 5 2 0 2 3 2 1 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 0 3 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 3 3 3 5 10 5 2 3 4 3 2 4 8 8 2 29 54 6 2 3 5 3 0 3 4 4 50 26 5 2 1 2 23 45 6 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 m 2H | 70 70 m 2H | 38 38 s 3H | 34 33 dd 2H J 25 113 | 31 31 dd 2H J 25 113 | 26 25 t 2H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(=O)N(c2ccccc2)c2cc(Cl)ccc21
ir: 2 2 0 1 2 3 7 5 3 6 4 1 12 6 1 1 2 2 2 9 7 6 4 1 1 3 2 1 1 1 2 7 8 3 1 1 3 1 3 4 40 100 40 3 1 4 2 5 13 6 3 1 1 18 14 9 1 4 11 3 3 2 1 7 1 2 13 2 29 13 6 6 1 1 1 1 2 5 2 2 1 1 0 0 2 2 4 3 22 8 3 3 1 2 1 1 1 1 7 6 4 13 10 2 0 1 3 5 1 1 1 1 1 3 14 2 16 9 4 24 10 3 3 5 4 5 7 1 1 10 28 6 2 3 6 11 1 38 5 11 6 4 14 39 26 5 38 12 16 4 7 6 5 39 20 9 3 2 1 6 11 8 5 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 5 6 2 3 3 2 2 4 4 7 15 4 74 17 75 3 7 2 3 1 2 1 2 6 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 d 1H J 89 | 77 76 d 1H J 22 | 75 75 m 1H | 75 74 m 2H | 74 73 m 2H | 73 72 dd 1H J 21 89 | 32 31 t 2H J 81 | 28 27 t 2H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1
ir: 3 2 1 3 4 10 17 4 13 10 3 13 6 10 28 43 5 11 2 2 3 2 2 3 3 6 2 6 6 15 12 35 9 4 2 5 6 22 15 10 55 20 3 2 3 10 3 3 2 2 5 4 2 3 2 2 2 3 2 2 4 9 21 3 10 5 3 4 7 8 3 3 3 17 6 18 5 7 11 4 3 4 1 5 26 23 100 9 0 0 4 3 3 10 4 4 1 4 6 11 2 3 3 8 3 2 3 3 13 4 3 2 1 2 3 2 2 3 4 2 7 7 3 4 4 4 3 3 3 2 3 4 4 3 13 4 2 2 2 2 2 8 13 5 3 7 17 4 3 6 31 5 2 2 2 2 27 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 3 2 2 2 2 2 2 2 3 2 2 3 3 6 9 12 40 24 26 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 83 83 d 1H J 33 | 78 77 m 2H | 77 76 ddt 1H J 15 72 88 | 75 74 m 2H | 73 73 d 1H J 32 | 71 71 d 1H J 7 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)C(=O)C3(C)C)c2)n(C)n1
ir: 2 3 5 2 5 3 8 8 14 11 10 18 26 25 17 8 7 4 4 3 3 3 3 4 7 4 2 2 1 1 2 1 2 1 6 6 2 3 1 1 1 1 1 1 1 1 1 0 1 2 1 0 2 9 14 6 2 2 1 1 1 1 2 1 1 2 3 2 3 2 5 6 15 5 6 7 4 2 1 2 3 2 1 1 2 3 1 3 2 3 2 1 1 1 2 3 1 1 1 1 2 2 1 4 2 2 10 8 5 13 19 14 6 3 3 1 1 2 6 3 4 4 4 4 6 7 7 7 6 4 6 3 4 2 3 4 3 2 2 2 6 3 4 3 1 2 2 1 1 20 26 6 2 0 1 3 2 0 1 5 11 9 1 4 4 3 9 7 4 100 25 5 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 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 1 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 7 4 7 7 10 3 7 6 21 24 3 2 1 2 2 5 5 19 16 24 18 3 2 1 3 2 7 21 15 10 4 2 2 1 1 1 1 1 1 1 1 3 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 73 73 ddd 1H J 22 37 71 | 72 71 m 2H | 63 62 s 2H | 54 54 s 1H | 38 38 s 3H | 32 32 s 3H | 22 21 s 3H | 15 15 s 3H | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC1(c2nc(-c3ccccc3)cs2)CC1
ir: 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 0 1 1 0 0 2 1 0 0 1 1 1 3 10 7 11 3 7 6 8 10 18 21 26 10 10 25 23 18 20 5 4 10 13 10 4 6 5 8 8 6 6 4 0 2 2 1 1 2 1 2 1 8 30 5 11 9 6 10 7 10 3 3 4 3 3 6 3 3 4 4 1 2 1 3 4 4 6 3 8 10 4 1 1 1 1 1 2 0 9 6 7 3 2 0 9 4 4 1 3 2 2 10 5 22 7 3 9 7 3 2 3 4 4 3 4 6 14 15 14 11 13 100 20 3 3 4 2 3 7 69 6 7 2 1 2 4 1 1 0 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 1 2 2 2 2 2 3 2 1 1 3 3 3 1 2 3 2 2 3 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 1 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 3 1 1 2 4 3 3 2 2 3 1 7 3 13 27 59 86 31 20 6 10 6 8 12 7 4 6 4 4 10 4 20 5 3 3 2 4 4 39 18 3 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 76 76 s 1H | 75 74 m 2H | 74 74 m 1H | 33 33 t 2H J 49 | 28 27 t 2H J 50 | 11 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3cc(C(N)=S)ccc3o2)cc1
ir: 3 3 2 2 2 2 1 3 1 6 11 5 3 4 3 4 3 2 1 2 3 2 16 22 9 37 30 60 12 2 3 3 4 5 6 12 8 9 10 13 32 6 7 7 3 3 2 3 4 3 5 5 5 2 13 15 23 22 6 4 2 3 2 3 3 5 5 5 3 9 1 2 1 1 2 2 1 1 3 4 2 2 2 2 1 1 3 2 2 1 3 4 2 2 4 5 6 5 2 3 2 5 7 6 15 8 5 13 2 2 3 2 1 1 3 3 2 7 8 4 4 10 7 7 4 6 6 13 9 24 11 6 2 2 2 1 1 2 3 2 12 15 4 4 31 14 4 4 11 7 24 30 18 18 24 13 66 67 100 23 4 6 4 2 2 3 2 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 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 3 2 1 1 2 2 3 5 10 13 15 20 57 29 21 10 5 5 2 2 2 2 3 2 2 2 2 4 6 22 34 11 6 9 15 12 13 10 4 4 4 14 87 57 29 6 8 4 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H | 83 83 t 1H J 19 | 79 79 dd 1H J 15 84 | 78 77 m 2H | 76 75 m 2H | 74 74 s 2H | 70 69 m 2H | 46 46 s 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCN)CCCNc1c2nc3ccccc3c-2n(C)c2ccccc12
ir: 1 3 2 1 1 1 3 2 2 1 1 1 1 1 1 1 0 1 6 1 0 2 1 1 0 1 1 1 1 1 1 3 5 8 6 5 2 4 7 5 2 3 13 100 4 7 5 3 4 2 1 2 1 1 7 5 5 3 6 13 2 1 1 2 1 1 3 2 3 2 22 4 4 3 4 6 1 1 1 1 3 3 2 4 3 9 2 3 2 4 1 0 1 3 1 1 2 1 1 3 2 1 0 5 1 1 0 1 1 1 2 12 5 3 10 5 2 2 1 2 6 10 14 4 4 6 5 1 3 2 2 4 5 5 21 21 5 4 2 8 2 7 1 1 2 15 1 2 6 6 3 5 1 0 0 2 1 0 5 1 1 2 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 3 5 6 25 10 8 3 2 1 1 1 0 1 2 1 2 8 5 11 4 5 6 2 6 9 56 25 6 5 9 7 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 dt 1H J 11 77 | 77 77 dd 1H J 18 83 | 76 76 m 2H | 76 75 t 1H J 49 | 74 73 m 2H | 72 72 dd 1H J 16 74 | 72 71 ddd 1H J 23 61 80 | 38 38 s 2H | 34 33 td 2H J 47 57 | 28 27 tt 2H J 54 65 | 25 25 t 2H J 59 | 24 24 t 2H J 57 | 24 23 s 2H | 18 18 p 2H J 58 | 17 16 p 2H J 55 | 13 13 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Br)cc(F)c1CN1CCCCC1
ir: 5 38 3 3 11 3 3 2 2 3 4 12 5 2 2 2 2 40 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 6 6 14 5 2 2 2 2 5 2 2 4 12 13 4 3 2 6 9 2 2 2 2 2 3 3 3 6 12 13 86 3 4 2 3 3 2 4 6 53 8 3 2 3 17 4 14 13 4 2 3 3 2 9 3 4 17 3 3 4 6 4 3 2 3 2 8 2 3 3 3 2 2 5 4 2 3 5 4 3 2 2 2 2 2 3 3 2 2 2 2 2 7 2 2 3 3 3 2 3 11 2 2 2 26 6 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 3 4 4 3 1 2 4 4 7 6 11 100 42 20 0 3 8 5 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 2H | 39 38 t 2H J 50 | 27 26 m 4H | 16 15 dq 4H J 48 60 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2nc3n(n2)CCCCC3c2ccc(F)cc2)cc(F)c1-n1cnc(Cl)c1
ir: 4 4 8 12 5 4 4 7 5 4 2 2 4 13 13 8 10 7 7 3 7 3 1 6 4 2 4 2 3 7 1 2 2 3 4 8 12 25 11 4 3 2 2 7 3 2 2 3 3 9 24 11 3 4 8 15 49 9 6 4 2 1 2 4 2 5 14 47 8 11 8 9 19 18 8 13 4 3 3 2 1 2 3 4 4 7 4 8 8 7 11 2 1 4 5 10 17 9 36 8 5 11 21 4 4 7 3 2 5 20 11 7 24 13 7 9 11 11 8 10 3 4 4 4 8 3 5 8 3 3 2 2 2 4 5 2 2 3 3 3 4 5 10 1 1 2 4 34 19 8 3 2 7 2 2 1 2 19 3 4 3 1 3 34 6 6 2 0 2 3 1 0 2 2 1 1 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 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 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 1 1 1 2 2 1 1 2 2 2 2 2 3 1 8 4 2 5 3 11 9 4 2 11 7 4 3 39 20 3 37 100 32 28 27 4 5 8 5 4 2 2 2 2 2 1 2 2 2 1 2 3 2 2 6 7 24 3 2 3 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 s 1H | 76 75 d 1H J 16 | 74 73 m 4H | 71 71 m 2H | 67 66 d 1H J 22 | 45 45 m 1H | 42 40 m 2H | 40 39 s 2H | 22 21 m 1H | 20 19 m 3H | 19 17 dtt 1H J 73 82 128 | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(CC)CCN(C(=O)OC(C)(C)C)CC1
ir: 3 4 5 2 9 7 11 4 3 4 26 11 12 2 1 1 1 1 1 2 3 5 4 1 0 0 0 0 0 0 0 2 0 0 0 0 1 1 1 1 0 0 0 1 1 2 1 0 0 0 1 0 1 0 1 1 1 1 2 2 1 1 1 1 0 0 0 1 0 1 1 0 2 2 2 1 0 0 1 0 5 5 1 4 5 2 2 2 1 0 0 2 2 1 1 1 1 3 7 1 2 1 3 3 2 1 1 1 1 1 1 1 5 2 6 5 5 5 33 17 13 7 11 9 6 4 4 6 6 14 9 7 2 2 2 3 2 9 2 1 1 1 1 0 4 30 2 1 2 1 3 100 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 3 3 1 1 1 1 1 1 3 13 19 6 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 q 2H J 60 | 38 37 ddd 2H J 34 61 126 | 34 33 ddd 2H J 35 62 126 | 24 23 ddd 2H J 33 60 130 | 21 20 ddd 2H J 34 61 132 | 17 17 q 2H J 77 | 15 14 s 7H | 13 12 t 3H J 61 | 9 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccccc1C(CC)c1c(O)c2ccccc2oc1=O
ir: 7 8 6 7 9 6 9 7 16 8 5 10 7 4 2 5 6 3 4 3 3 3 3 2 3 2 3 2 6 4 1 2 2 1 1 2 2 1 3 5 5 3 22 51 5 12 12 13 3 1 3 3 2 1 2 2 3 2 2 7 3 1 4 5 4 3 4 2 9 10 7 6 4 2 4 3 3 1 3 2 1 1 2 2 2 2 2 2 19 25 16 5 3 6 7 23 11 5 4 2 1 1 7 2 2 1 2 2 0 1 2 2 2 2 2 2 1 6 4 4 2 2 3 3 1 2 3 1 0 3 5 9 2 3 7 4 10 23 9 5 4 3 4 6 4 5 8 4 3 40 18 3 2 3 8 5 12 3 2 2 2 3 17 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 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 2 1 1 1 3 2 4 3 7 7 7 4 7 4 6 17 28 27 4 11 7 12 22 100 32 12 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 dd 1H J 16 83 | 76 75 m 1H | 73 72 m 4H | 69 69 m 2H | 61 60 ddt 1H J 55 112 168 | 54 53 m 1H | 53 52 ddt 1H J 13 24 168 | 46 45 m 3H | 22 20 dqd 1H J 60 78 124 | 19 18 dqd 1H J 62 80 124 | 11 10 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccncc3)s2)CCN1Cc1ccc2ccnc(Cl)c2c1
ir: 3 6 7 2 5 3 5 4 5 4 5 9 14 4 3 3 3 3 6 6 9 5 21 17 3 4 10 13 12 3 3 4 5 4 4 5 7 4 6 7 6 10 15 8 7 3 3 6 7 30 14 1 3 6 3 6 20 23 17 22 9 8 2 7 3 4 31 35 11 14 34 31 16 25 12 10 6 21 12 5 19 37 6 3 9 9 21 7 6 3 1 6 12 11 4 10 54 29 3 3 3 11 15 20 46 42 93 38 10 21 19 25 12 6 1 2 5 3 11 26 8 13 6 5 5 3 2 2 2 4 8 3 2 2 1 4 5 4 1 2 3 2 0 2 2 3 7 19 20 18 7 2 3 1 1 1 3 14 6 8 23 5 2 2 1 0 2 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 0 1 1 1 1 1 1 1 1 2 2 1 3 2 3 2 3 5 3 5 23 11 17 17 24 14 4 2 3 2 1 1 1 2 1 0 1 1 1 0 2 2 2 2 100 76 9 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 87 86 m 2H | 84 84 d 1H J 45 | 80 79 m 1H | 79 78 dd 1H J 12 22 | 77 76 m 1H | 76 75 q 2H J 75 | 75 75 m 2H | 75 74 m 1H | 68 68 d 1H J 99 | 46 45 m 2H | 43 42 dddd 1H J 17 33 51 101 | 36 35 ddd 1H J 53 71 126 | 35 34 dddd 1H J 16 53 71 126 | 23 22 dddd 1H J 33 53 71 117 | 19 18 ddt 1H J 53 71 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1Oc1nc(Cl)ncc1Br
ir: 5 5 5 5 5 5 6 5 5 5 5 5 5 7 5 5 5 6 6 7 8 6 7 6 5 5 6 8 6 6 6 6 5 6 8 33 13 16 12 25 61 39 41 16 6 6 5 6 6 6 7 7 6 5 5 6 6 6 8 6 5 5 6 6 5 5 5 5 6 7 8 7 6 7 8 8 6 6 6 6 8 5 6 8 10 9 5 5 5 7 6 6 5 5 5 5 6 5 6 5 5 5 5 5 6 5 5 5 5 5 6 16 9 8 7 6 5 7 7 6 5 5 6 5 5 6 9 28 6 6 6 5 4 6 7 4 2 100 0 10 71 7 17 31 43 5 5 7 7 10 7 6 6 5 7 13 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 5 5 5 5 5 5 6 5 5 5 6 6 6 9 9 11 9 16 11 6 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 85 84 s 1H | 70 68 m 4H | 41 41 q 2H J 62 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc3nc(NN=Cc4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1
ir: 1 3 3 3 3 6 3 2 3 10 5 5 1 3 4 8 7 8 12 20 8 14 8 3 11 26 48 89 21 20 40 12 6 3 2 2 3 8 4 1 1 2 2 6 3 9 28 30 4 1 12 6 2 23 23 1 4 4 2 0 2 2 3 4 5 8 9 10 18 6 8 4 36 26 29 7 3 6 2 11 5 3 26 5 5 11 9 40 6 3 6 22 2 2 4 8 6 9 6 7 3 2 12 35 10 5 3 2 1 1 1 2 5 2 2 2 8 5 5 3 2 4 6 3 7 15 15 5 13 2 3 2 1 1 2 2 7 6 4 56 19 1 100 7 6 35 8 7 44 9 12 3 7 60 3 2 2 6 21 2 2 1 13 18 48 28 5 1 1 2 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 1 1 1 2 4 4 2 1 3 4 2 3 20 13 29 88 27 28 12 3 2 1 2 3 3 1 1 2 1 1 2 1 1 0 2 2 2 5 19 75 79 31 19 1 3 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 79 79 m 2H | 79 78 s 1H | 75 75 m 1H | 73 73 m 2H | 73 73 q 2H J 15 | 72 72 m 1H | 71 71 s 1H | 58 58 s 1H | 38 37 m 4H | 36 36 m 4H | 24 23 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(OC2CCCCC2)c(Cl)c1
ir: 1 1 1 2 2 1 1 25 1 1 2 2 4 3 3 3 37 6 1 3 4 4 83 58 3 4 3 2 1 3 1 1 1 9 4 3 3 11 7 15 4 2 2 1 1 2 1 1 1 1 2 1 1 3 8 2 2 1 1 1 1 1 1 1 1 1 1 4 17 0 2 2 1 2 3 4 4 24 12 5 24 9 1 1 3 4 6 1 4 10 1 1 1 1 1 1 1 1 1 1 1 8 1 1 2 1 1 1 3 3 6 8 7 4 2 5 19 4 3 2 1 1 1 1 6 21 1 1 2 1 2 5 8 15 2 1 2 1 1 1 1 1 2 2 15 71 2 2 2 0 1 2 2 1 1 33 2 0 1 2 2 62 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 2 2 1 2 9 8 1 2 4 6 2 1 0 1 2 2 1 20 100 7 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; 1HNMR: 87 86 d 1H J 18 | 80 80 d 1H J 18 | 48 47 p 1H J 52 | 21 20 dddd 2H J 52 60 83 135 | 18 16 m 4H | 16 15 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CCC[C@H]1c1ccc(Cl)nc1
ir: 1 2 4 6 12 1 2 1 1 1 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 1 1 3 1 0 1 2 3 5 14 8 9 3 0 0 1 1 0 1 1 1 0 1 1 1 2 2 5 12 10 1 2 1 1 1 0 1 1 2 2 1 1 2 1 8 7 1 2 0 1 1 1 3 1 1 1 2 1 6 4 8 15 16 16 10 9 8 8 11 2 3 6 2 1 2 3 2 2 2 1 3 2 2 1 0 1 3 1 3 4 1 1 1 1 1 1 4 5 5 3 2 3 1 1 1 2 8 19 12 2 1 0 1 0 0 0 0 0 0 1 1 1 12 45 11 1 0 7 1 1 0 0 1 2 4 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 1 2 3 2 2 4 3 1 2 4 6 11 6 7 15 11 15 6 16 4 8 3 4 9 100 52 37 9 1 5 6 3 1 3 2 3 3 2 2 3 6 1 2 1 1 1 2 2 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 22 | 75 75 m 1H | 73 72 d 1H J 80 | 41 40 dtd 1H J 30 49 65 | 30 29 m 1H | 21 21 d 1H J 48 | 21 20 dddd 1H J 25 56 101 111 | 20 19 m 1H | 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(=O)O)c2c1OC[C@H](NCCCc1c[nH]c3ccc(F)cc13)C2
ir: 2 4 4 3 4 4 4 4 6 10 11 13 9 18 9 7 10 20 26 28 43 61 70 51 68 51 25 20 7 2 4 6 4 2 5 7 5 1 3 8 7 3 7 8 31 15 12 7 12 7 6 6 8 29 68 14 4 4 3 5 4 0 3 6 12 22 11 15 11 3 12 11 8 8 13 15 24 32 21 9 3 6 10 13 4 5 5 4 2 4 5 3 4 5 4 6 4 4 5 4 11 13 17 8 5 5 12 25 30 20 6 6 10 13 5 8 13 11 7 36 17 6 8 5 4 14 7 5 1 5 6 5 5 5 6 5 29 21 10 6 14 15 5 4 4 4 9 7 3 7 5 3 10 17 12 5 2 3 2 1 11 7 3 1 1 3 1 0 1 2 1 0 1 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 3 1 1 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 4 3 1 3 4 2 1 4 6 9 7 8 45 11 10 9 12 4 6 3 4 12 80 15 5 4 2 3 5 6 8 33 100 19 14 5 4 9 80 57 5 4 2 3 3 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 94 94 d 1H J 70 | 77 76 d 1H J 88 | 74 73 dd 1H J 46 73 | 73 72 dd 1H J 25 121 | 71 70 m 2H | 68 67 d 1H J 86 | 43 43 dd 1H J 22 112 | 40 40 dd 1H J 48 113 | 39 38 s 2H | 34 33 dt 1H J 43 85 | 33 32 dddd 1H J 21 47 92 108 | 31 30 dd 1H J 46 163 | 29 27 m 5H | 20 18 tdt 2H J 57 64 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(C2CCC2)CC1
ir: 18 15 3 8 12 20 10 9 9 6 1 7 9 8 0 9 12 12 13 8 14 3 3 11 7 4 5 8 13 12 26 24 19 7 6 7 10 5 5 12 12 64 13 12 12 1 9 17 6 4 6 12 63 100 20 14 11 6 11 26 12 3 6 13 5 12 12 25 6 2 8 8 5 4 16 16 6 2 11 28 52 8 11 30 16 6 13 25 8 11 9 20 6 5 10 8 6 11 11 16 16 23 36 22 6 7 11 10 4 8 11 11 5 12 11 7 6 10 14 9 3 10 11 11 3 13 13 7 6 20 19 26 12 23 11 13 5 21 28 14 12 8 10 11 45 36 8 4 25 14 12 11 7 9 8 3 6 8 33 3 3 8 7 2 4 8 5 2 4 8 4 1 4 8 4 1 5 7 4 1 5 7 4 2 5 7 3 2 5 7 3 2 6 6 3 2 6 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 7 5 2 4 7 5 2 4 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 4 2 5 7 4 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 3 3 6 5 3 3 6 5 2 3 7 5 2 4 7 6 5 5 8 9 8 10 10 6 4 8 10 18 35 37 100 81 21 15 8 8 5 8 7 4 3 5 6 4 3 5 6 4 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 2 4 6 4 2 4 7 4 2 4 6 4 2 5 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2; 1HNMR: 79 79 m 2H | 77 76 d 1H J 75 | 75 74 m 2H | 74 74 m 1H | 68 68 d 1H J 75 | 36 36 m 4H | 35 35 m 4H | 34 34 s 2H | 29 29 m 1H | 28 27 m 8H | 18 17 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc(-c3n[nH]cc3NC(=O)Cn3cnnn3)[nH]c2cc1C
ir: 2 2 4 5 53 9 5 5 3 7 12 11 3 15 3 6 2 4 7 5 1 4 9 3 33 17 33 14 16 10 6 6 16 8 11 8 6 4 16 2 11 23 18 28 38 14 9 13 2 1 3 3 8 2 4 4 6 1 9 4 3 3 4 8 8 5 4 5 31 74 19 2 6 3 7 2 2 1 1 1 2 4 5 12 23 36 9 9 5 3 1 2 2 3 10 15 2 1 4 5 2 2 1 1 2 1 2 4 4 12 6 5 2 2 7 4 3 3 3 8 13 26 14 26 11 10 18 17 42 59 9 11 14 4 1 2 1 6 7 6 3 2 8 18 18 12 18 26 7 11 11 90 21 8 7 10 4 1 1 1 1 1 0 0 2 1 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 0 1 0 1 0 1 1 1 1 2 2 3 1 1 3 2 1 3 4 37 14 7 43 10 7 6 5 17 19 9 11 36 11 16 24 28 38 26 10 5 5 8 4 12 10 31 100 46 8 26 14 7 13 8 4 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 t 1H J 9 | 80 79 d 1H J 33 | 74 74 d 1H J 8 | 74 73 d 1H J 8 | 52 51 d 2H J 10 | 24 24 s 4H | 24 23 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-c2ccc3c(c2)C(c2cc(Cl)ccc2Cl)CC3)c1
ir: 0 2 2 2 1 1 2 1 1 6 8 3 1 3 8 2 5 7 4 7 7 100 65 9 6 1 1 2 1 3 7 13 6 1 1 1 1 1 1 1 1 1 1 1 2 2 4 16 26 4 1 1 2 9 9 6 2 1 1 2 1 2 2 2 1 1 3 8 7 8 3 1 1 4 2 5 15 7 12 19 17 6 4 6 3 2 9 10 13 1 7 3 6 4 7 2 1 3 2 3 1 1 1 0 1 1 1 1 1 1 1 4 3 2 2 3 5 5 4 19 8 4 5 7 3 3 4 1 1 1 1 0 1 1 1 1 0 1 4 7 6 4 15 3 3 39 16 7 9 2 1 2 4 3 1 1 1 1 0 1 2 0 1 1 1 1 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 0 1 0 0 0 1 1 1 1 1 1 4 3 4 2 3 5 6 12 43 44 8 4 3 2 1 2 1 16 33 7 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 t 1H J 22 | 82 82 ddd 1H J 12 21 81 | 78 78 ddd 1H J 12 21 82 | 76 76 m 2H | 75 75 dd 1H J 7 22 | 74 74 d 1H J 71 | 74 73 dd 1H J 22 71 | 73 72 m 2H | 41 40 m 1H | 31 30 dddd 1H J 7 55 73 145 | 30 29 dddd 1H J 7 55 73 145 | 24 23 ddt 1H J 54 73 128 | 22 21 ddt 1H J 54 73 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(CC(N)=O)s1
ir: 0 1 3 1 0 1 3 4 3 5 4 2 3 2 7 5 1 4 13 2 2 2 3 6 15 20 14 12 10 4 7 10 1 3 5 2 2 3 5 2 1 2 1 1 2 2 1 0 1 2 2 1 3 3 1 1 1 1 1 1 6 17 2 0 1 2 1 0 1 2 5 9 2 2 1 1 5 8 1 0 2 2 0 0 1 2 0 2 3 2 1 1 6 4 1 1 1 1 0 1 2 1 1 1 3 1 2 3 6 3 0 1 2 1 1 5 3 2 4 8 2 1 0 1 3 5 6 3 1 1 0 1 1 1 0 1 2 1 1 2 4 48 13 4 5 5 3 3 2 0 11 8 3 1 2 5 5 50 50 3 4 2 2 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 1 1 1 2 2 2 1 1 2 2 2 7 7 1 3 11 17 6 2 2 1 2 1 1 1 1 1 1 1 1 1 14 15 1 1 2 2 1 1 1 1 2 4 4 100 73 4 5 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 d 1H J 66 | 71 71 dt 1H J 8 67 | 68 67 s 2H | 37 36 d 2H J 9 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCNc1ccccc1CO
ir: 1 1 2 1 2 2 1 2 2 2 1 2 1 1 2 2 2 1 1 3 2 4 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 4 22 8 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 4 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 3 2 6 15 6 1 2 4 1 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 2 3 2 1 4 1 1 1 1 1 1 0 1 2 2 4 2 2 5 2 1 1 1 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 1 1 1 0 2 8 4 1 1 1 1 1 5 100 28 1 1 1 1 1 1 1 1 1 1 1 1 6 2 17 9 5 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dddd 1H J 16 25 51 60 | 72 71 m 2H | 68 67 m 1H | 48 48 t 1H J 49 | 47 47 dd 2H J 9 57 | 37 37 t 1H J 56 | 34 34 t 2H J 57 | 33 33 m 2H | 33 33 s 3H | 19 18 p 2H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCCC(C)CC(CN)C(=O)O
ir: 2 2 2 2 2 2 2 3 2 2 5 7 15 15 13 5 9 10 10 6 9 58 100 11 6 8 12 7 4 2 4 3 3 2 2 4 3 2 3 3 4 3 3 3 3 3 8 16 13 8 13 1 7 6 8 2 5 15 11 4 6 3 4 6 5 6 16 10 3 9 11 33 49 6 6 15 20 51 75 12 6 5 7 22 8 3 5 7 2 4 3 4 2 2 5 5 9 4 3 4 2 3 4 3 4 7 8 9 5 3 4 4 3 4 4 3 3 5 13 4 9 12 9 4 9 4 4 6 8 31 9 6 15 20 56 35 9 6 6 4 8 5 6 54 12 4 3 4 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 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 4 2 3 4 6 6 3 4 3 8 6 8 9 6 10 4 4 2 3 4 3 1 3 3 3 2 17 13 3 4 17 40 26 11 6 10 4 4 17 47 30 12 0 2 6 4 0 0 4 3 0 1 4 3 0 1 3 2 0 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 37 37 t 2H J 62 | 31 30 dtd 1H J 50 62 113 | 28 28 dtd 1H J 51 62 114 | 26 25 tt 1H J 51 79 | 18 17 dt 1H J 82 134 | 16 14 m 3H | 14 13 m 2H | 12 11 m 4H | 9 9 d 3H J 71 | 9 8 dd 6H J 12 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(n2c(Cl)nc3ccccc3c2=O)CCCC1
ir: 6 3 4 3 3 3 3 4 3 3 2 3 4 3 3 5 3 5 6 4 7 4 3 3 3 3 3 3 3 3 3 4 19 12 3 3 4 4 3 2 3 5 31 23 6 5 11 6 3 3 3 3 5 2 3 3 3 2 3 3 3 3 5 3 8 2 3 4 3 4 3 3 3 3 3 6 3 3 4 4 3 3 3 5 3 2 3 3 3 3 3 4 3 4 3 3 3 3 3 3 3 3 3 4 7 8 3 4 4 3 3 3 6 4 5 4 3 3 4 3 5 3 3 3 3 4 3 6 8 5 3 3 3 4 6 16 6 3 3 3 14 4 26 3 4 5 15 4 12 4 3 2 2 4 8 2 2 100 0 4 3 10 4 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 3 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 2 3 3 3 3 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 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 4 8 5 5 18 18 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 82 82 m 1H | 77 77 m 2H | 75 74 ddd 1H J 33 50 82 | 37 37 s 2H | 26 25 m 2H | 23 22 m 2H | 21 20 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccc(F)cc2o1
ir: 5 8 7 5 5 6 5 5 6 4 7 7 7 11 14 12 14 16 43 22 11 30 49 23 30 20 11 7 6 6 5 4 4 5 6 4 6 5 4 4 5 5 6 8 5 4 4 4 6 10 11 5 4 4 24 10 15 52 9 6 20 6 6 4 5 11 25 24 9 5 12 6 7 5 5 8 8 20 53 42 25 21 6 4 4 4 5 6 6 8 15 8 4 5 6 8 10 6 5 10 8 5 11 6 19 50 40 11 9 9 16 9 13 7 8 11 20 5 7 9 6 10 8 13 18 17 4 6 6 6 8 22 7 9 15 6 5 4 3 4 6 9 11 6 6 0 74 70 10 5 6 8 9 12 5 5 11 6 4 3 3 4 5 4 4 3 5 3 3 3 3 4 4 3 4 4 4 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 4 4 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 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 5 5 4 5 6 5 4 5 7 8 9 10 8 11 30 62 12 9 4 5 6 3 2 100 40 6 6 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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; 1HNMR: 89 88 dd 1H J 20 88 | 85 84 d 1H J 21 | 82 81 d 1H J 88 | 77 76 m 2H | 72 71 ddd 1H J 22 79 101 | 70 70 dd 1H J 19 121 | 41 41 m 1H | 37 35 m 2H | 19 15 m 6H | 13 12 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(NC(=O)OC(C)(C)C)C1
ir: 12 11 5 2 4 5 6 3 6 9 10 3 3 4 3 1 2 1 2 3 3 5 3 3 5 9 23 40 100 34 30 29 12 9 8 3 6 19 3 3 1 1 1 1 4 2 2 0 2 2 1 1 2 1 2 2 2 1 3 2 3 4 4 5 2 1 3 1 2 1 1 5 3 5 7 5 7 11 3 22 8 2 2 1 2 2 3 2 1 2 3 3 21 12 4 3 5 3 4 4 3 2 3 7 7 4 4 8 17 15 6 9 3 9 1 2 3 2 4 18 9 9 7 11 10 9 21 22 10 9 35 10 4 3 2 0 1 1 1 2 2 4 8 3 24 69 22 9 16 75 40 4 2 0 0 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 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 0 0 2 3 4 2 2 4 4 3 5 2 5 11 13 11 32 5 2 2 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 5 9 18 82 35 14 10 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 43 42 d 1H J 67 | 41 40 m 1H | 29 28 m 2H | 27 26 m 2H | 23 23 s 3H | 21 20 dddd 1H J 34 55 79 129 | 17 16 dddd 1H J 33 55 73 127 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)N(Cc1ccccc1)S(=O)(=O)C2
ir: 3 7 8 13 70 4 4 5 12 39 7 2 4 2 6 12 1 3 7 2 4 5 9 66 11 15 4 3 2 6 5 2 2 4 6 10 7 8 6 42 19 4 9 1 2 4 2 0 4 3 3 2 2 2 1 8 2 4 1 0 1 2 1 0 2 5 3 5 26 10 4 6 24 20 4 2 11 16 7 3 3 14 42 8 4 5 4 9 46 68 3 4 26 5 3 7 3 12 7 3 2 2 0 1 3 2 0 3 21 2 1 2 2 1 6 17 5 6 1 3 5 3 2 14 15 6 2 2 13 27 44 2 2 3 6 38 6 3 1 2 3 2 30 17 37 100 5 3 4 1 5 14 6 2 2 2 1 0 1 2 1 0 1 6 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 1 1 1 2 2 1 1 2 7 6 3 3 2 1 2 3 4 2 25 14 30 63 21 22 8 4 4 3 2 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 78 77 dd 1H J 21 89 | 76 76 d 1H J 22 | 74 73 dddd 3H J 9 18 44 82 | 73 72 dp 3H J 17 48 | 50 50 t 2H J 9 | 47 47 d 2H J 7 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OCCOc1ccc(OCCOC(=O)c2ccc(O)c(Cl)c2)cc1
ir: 11 16 50 21 20 20 9 6 2 4 2 9 7 5 8 4 11 14 22 8 4 2 3 3 3 1 2 2 1 2 2 3 4 4 16 10 8 5 4 3 3 1 1 3 1 1 1 2 2 1 2 11 14 6 45 100 19 7 5 0 3 5 3 5 4 6 9 10 13 13 7 6 4 6 5 12 12 18 7 1 12 9 6 2 5 3 2 4 25 52 9 4 4 5 9 6 4 11 2 2 6 13 2 2 2 1 1 2 2 2 4 4 9 10 7 6 3 7 4 2 2 3 4 4 17 34 15 9 10 16 18 12 4 3 2 2 2 1 2 2 6 20 6 5 11 5 8 39 55 10 14 21 10 5 7 5 3 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 1 1 1 1 1 1 2 2 1 2 4 6 3 3 2 2 2 10 9 7 10 14 10 16 56 40 5 13 11 3 6 6 56 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 21 | 78 77 dd 1H J 22 90 | 73 73 s 1H | 70 69 d 1H J 90 | 68 68 s 3H | 59 58 dq 1H J 8 16 | 56 56 dt 1H J 15 27 | 45 45 t 2H J 50 | 44 43 t 4H J 50 | 43 42 t 2H J 51 | 19 19 t 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1COCCN1Cc1ccccc1)C(F)(F)F
ir: 29 4 17 4 0 3 5 3 4 3 4 3 1 5 4 2 1 4 11 2 5 8 4 4 8 4 4 2 2 10 9 6 5 4 38 18 78 64 28 50 26 100 34 11 9 12 30 21 11 14 7 0 4 41 4 0 18 7 7 1 3 5 2 0 3 9 20 4 5 6 7 0 5 6 3 13 6 13 11 11 23 30 3 2 4 5 1 2 14 88 4 3 7 5 2 3 14 9 23 9 11 11 6 3 8 4 1 5 11 3 1 6 19 9 3 4 4 3 1 5 11 14 6 7 19 6 1 6 8 4 3 6 8 3 1 52 10 2 2 5 4 4 14 66 10 7 10 41 19 5 3 9 6 2 3 4 3 1 2 3 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 6 3 3 8 3 1 3 5 4 4 9 17 38 72 26 8 4 1 4 5 3 1 4 4 2 1 3 4 3 4 10 4 2 1 4 6 10 55 39 12 3 3 5 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 72 m 2H | 73 73 s 3H | 72 72 tq 1H J 17 49 | 38 37 m 2H | 37 36 m 2H | 36 35 m 2H | 35 35 d 1H J 124 | 33 33 ddd 1H J 38 46 121 | 31 31 p 1H J 40 | 29 28 ddd 1H J 36 59 126 | 27 26 ddd 1H J 35 58 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OC(F)(F)F)cn1
ir: 8 19 6 9 18 39 25 26 25 17 11 12 8 5 9 13 8 4 4 2 2 2 2 2 2 8 10 4 12 6 2 2 5 4 7 6 28 16 7 2 2 2 3 2 2 3 4 4 3 3 2 2 4 9 29 13 21 3 7 5 3 2 2 2 2 2 2 3 3 21 31 2 3 3 2 18 3 1 6 21 3 2 2 2 2 2 3 3 2 5 12 5 4 3 8 34 7 9 22 27 34 100 20 11 11 4 3 4 5 10 6 5 5 2 0 2 4 3 2 18 27 8 5 3 7 5 5 5 5 12 41 20 6 2 2 2 2 2 1 2 2 2 2 2 3 1 2 22 6 5 5 26 14 10 4 2 2 2 2 3 11 18 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 3 2 2 2 2 1 2 2 2 2 2 3 5 3 8 11 20 26 41 23 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 d 1H J 19 | 80 80 d 1H J 76 | 76 76 dd 1H J 18 77 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1
ir: 12 2 10 8 8 3 3 4 4 15 6 8 7 4 2 3 3 1 1 8 10 34 9 7 4 5 5 11 2 4 3 1 5 3 1 2 3 9 7 18 19 25 9 7 4 6 7 8 4 2 3 5 4 3 5 15 11 12 4 1 2 0 2 0 3 4 7 2 1 3 1 0 1 0 0 1 1 1 1 3 5 1 0 0 1 0 1 2 2 1 2 1 4 3 2 5 4 10 17 13 3 13 30 24 2 4 11 4 2 1 2 1 10 2 6 1 1 1 6 5 4 5 4 5 2 3 8 4 4 6 3 10 1 1 2 2 11 4 3 3 4 46 10 5 46 44 12 9 5 24 100 16 8 11 12 8 4 3 2 1 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 2 3 4 14 3 41 41 26 16 6 10 14 2 2 2 2 2 2 2 2 1 1 2 1 2 3 6 5 11 6 12 48 38 18 19 2 3 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 66 | 85 85 s 1H | 80 79 t 2H J 11 | 80 79 t 1H J 14 | 78 77 m 2H | 75 74 dd 1H J 30 66 | 74 73 dq 2H J 10 79 | 67 66 m 1H | 36 35 t 2H J 9 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCC(c2ccccn2)=NN1c1ccccc1Br
ir: 4 6 6 8 6 7 5 5 5 11 6 8 5 5 5 5 5 11 7 11 25 49 12 7 9 5 5 6 7 4 5 6 10 10 5 7 9 11 18 58 84 82 53 58 11 8 8 7 10 5 5 6 12 11 22 17 7 8 5 6 5 5 6 6 25 12 6 11 7 7 6 8 6 14 9 7 5 5 7 13 10 9 6 7 8 8 6 4 5 5 5 5 7 8 18 11 6 14 6 8 10 5 5 5 4 5 5 5 7 8 6 5 6 8 6 8 6 8 22 12 8 5 4 6 9 6 4 5 8 16 31 11 15 29 10 22 47 18 10 6 6 30 6 7 6 7 9 20 8 8 13 6 5 6 32 9 10 29 39 82 0 14 7 4 5 6 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 6 6 5 4 5 6 5 4 5 9 10 10 39 100 29 16 9 4 8 9 5 4 5 6 5 6 5 6 5 5 12 7 8 6 5 6 12 19 78 13 9 8 7 7 6 7 6 5 5 4 5 5 5 4 7 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4; 1HNMR: 86 86 dd 1H J 18 42 | 78 78 td 1H J 16 71 | 77 76 m 3H | 76 76 dd 1H J 13 83 | 75 74 ddd 1H J 13 66 77 | 74 73 ddd 1H J 13 42 73 | 71 71 ddd 1H J 13 73 86 | 47 46 d 2H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(C)cc4)c3c2)cc1
ir: 3 5 1 2 4 5 5 7 14 6 4 3 7 2 3 9 4 3 1 2 1 2 2 2 2 2 2 2 1 0 4 1 1 3 4 3 2 3 1 1 6 5 1 1 1 1 1 1 1 1 7 18 45 81 12 31 6 2 3 3 1 0 4 3 16 3 5 20 8 28 4 2 4 1 2 1 1 2 1 1 1 1 2 6 15 10 5 9 5 2 9 9 11 3 3 14 6 5 13 21 5 2 1 1 1 2 1 1 1 1 0 1 1 29 4 2 1 1 1 3 5 4 4 4 5 16 5 3 10 5 2 2 13 14 4 1 1 1 2 0 1 1 1 2 7 37 10 11 31 16 9 12 22 12 6 4 3 2 1 0 0 1 1 5 0 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 1 1 2 2 2 2 3 5 5 21 29 100 69 64 20 5 5 3 2 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 82 81 d 1H J 23 | 80 80 dd 1H J 21 69 | 79 79 d 1H J 70 | 78 78 d 1H J 33 | 75 75 m 2H | 74 73 m 2H | 73 72 m 4H | 68 68 d 1H J 33 | 24 24 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C(/C)NC(=O)COc1cc(F)cc(F)c1
ir: 4 3 5 3 4 20 25 5 2 3 3 3 3 5 4 4 4 4 3 3 3 2 3 3 5 4 5 4 4 4 4 3 3 6 9 4 4 5 5 4 13 16 8 27 19 22 26 18 10 5 6 5 4 7 4 3 6 10 8 6 6 5 5 9 9 21 17 15 14 15 15 10 5 4 3 3 5 7 18 10 4 2 3 3 2 2 2 2 2 2 2 3 3 3 7 14 12 15 3 3 3 3 3 4 6 6 3 2 3 3 3 3 8 4 3 3 3 4 4 4 3 4 4 10 5 5 6 7 6 3 4 3 3 3 3 4 3 5 27 66 4 3 3 5 4 3 7 56 35 18 34 8 7 3 3 2 2 4 14 29 18 0 100 5 3 4 3 2 2 3 3 2 2 3 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 2 2 2 2 2 2 2 3 3 3 3 3 2 3 3 3 2 2 3 3 2 3 8 9 31 21 14 11 12 6 8 3 3 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 19 15 16 25 36 19 11 6 5 8 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; 1HNMR: 98 97 s 1H | 67 66 tt 1H J 21 121 | 65 65 ddd 2H J 11 22 114 | 48 48 q 1H J 13 | 46 46 s 2H | 37 36 s 3H | 22 22 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1ncns1)c1ccc2c(c1)NCCN2c1ccc(C(F)(F)F)cc1Cl
ir: 13 22 5 4 4 4 6 2 2 6 11 5 6 6 6 3 14 3 4 6 18 7 13 12 4 4 3 2 3 6 3 8 3 4 6 3 6 7 7 6 13 6 4 4 2 3 1 0 5 3 3 5 4 14 34 48 23 24 10 6 7 1 3 2 14 15 9 30 8 2 1 2 3 1 3 8 1 2 3 1 2 2 2 3 27 80 7 20 4 8 34 25 15 7 6 2 0 1 9 19 5 3 0 3 8 10 2 2 15 3 5 6 37 80 38 11 8 12 3 5 3 10 11 11 25 25 14 5 2 3 1 1 2 1 1 2 1 3 3 3 45 13 21 5 2 4 2 4 6 8 12 6 11 4 6 19 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 2 1 2 4 5 20 29 16 2 2 3 1 2 1 2 1 1 1 0 1 1 0 1 3 2 2 2 6 17 14 42 38 80 100 22 5 3 4 2 1 0 1 1 0 0 1 2 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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; 1HNMR: 89 89 s 1H | 82 82 s 1H | 77 77 dd 1H J 22 88 | 77 76 dq 1H J 9 21 | 76 76 ddt 1H J 13 22 64 | 72 72 d 1H J 88 | 71 71 m 2H | 59 58 t 1H J 33 | 39 39 m 2H | 35 35 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)NC1CCN(CC2(F)Cn3c(=O)ccc4ncc(F)c2c43)CC1
ir: 5 5 9 4 2 4 5 6 3 4 4 2 1 3 4 2 3 3 4 6 4 10 14 5 8 10 16 26 18 23 20 6 6 3 4 2 4 4 4 3 3 2 3 3 15 100 10 3 3 2 3 1 2 2 2 1 3 3 2 1 2 3 2 3 2 3 2 1 2 3 2 4 3 7 12 3 2 2 1 1 4 5 14 20 10 4 3 3 5 4 6 6 5 6 7 4 6 8 7 5 3 2 2 2 4 4 4 5 5 5 10 8 15 4 3 2 4 2 4 9 27 4 3 3 3 5 12 9 6 6 8 7 6 3 2 2 3 1 13 18 1 4 3 4 32 55 41 6 8 34 29 36 6 0 2 3 2 1 2 3 2 1 4 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 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 3 3 2 2 2 3 4 5 10 11 8 4 4 6 15 12 3 2 3 2 1 2 2 2 2 2 2 1 1 2 2 1 1 3 6 6 18 18 6 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 82 d 1H J 140 | 79 78 d 1H J 93 | 68 67 d 1H J 92 | 47 46 m 1H | 45 44 d 1H J 71 | 44 43 t 1H J 130 | 37 36 dp 1H J 44 71 | 35 34 m 1H | 32 32 m 1H | 29 27 m 5H | 20 16 m 5H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CCc2cc(NC(=O)OC(C)(C)C)ccc21
ir: 6 3 4 6 0 1 1 1 2 3 3 4 1 2 1 7 3 2 1 1 1 1 1 2 3 3 3 6 11 20 30 8 14 12 13 4 4 10 5 2 2 1 1 0 1 1 1 1 2 2 1 0 1 2 16 29 4 3 1 1 1 2 1 2 1 5 8 17 2 0 1 2 0 0 1 1 1 2 4 1 1 1 1 1 4 3 12 22 5 2 8 4 6 4 8 9 16 7 3 3 2 1 1 3 21 1 2 1 1 7 3 4 3 1 1 1 1 1 1 3 10 3 3 1 3 2 2 5 5 4 6 7 4 1 1 1 1 0 0 1 1 1 4 2 3 100 8 3 9 21 35 17 5 13 10 2 2 2 1 0 0 1 13 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 0 1 1 1 1 3 5 28 14 12 12 4 2 2 1 1 3 1 1 1 1 2 2 0 0 0 1 1 0 1 1 1 2 8 24 69 8 2 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dt 1H J 9 19 | 74 73 dd 1H J 22 88 | 72 71 dd 1H J 7 87 | 71 70 s 1H | 38 37 dddd 1H J 10 17 42 78 | 30 29 dddd 1H J 9 51 70 141 | 29 28 dddd 1H J 9 51 70 141 | 23 23 d 7H J 16 | 23 22 dddd 1H J 51 59 70 122 | 20 19 dddd 1H J 51 59 70 122 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]cnc1CSC(C)CNC(=N)NCCCc1c[nH]cn1
ir: 7 8 11 6 5 4 4 6 6 4 3 7 4 7 4 4 4 3 12 6 5 2 3 5 2 4 6 5 7 7 10 15 28 29 13 16 25 9 16 10 14 17 15 43 17 9 3 5 13 4 4 2 5 5 4 3 2 4 4 7 8 5 8 7 7 7 4 4 6 10 10 16 5 2 5 4 3 4 3 5 5 6 24 14 34 20 9 6 5 8 15 28 20 16 16 65 26 37 21 23 12 15 29 26 54 23 24 28 30 45 27 22 26 14 28 16 2 21 34 39 26 97 28 23 15 7 6 11 23 11 9 5 5 2 3 4 5 2 3 5 3 3 2 3 4 1 2 5 6 10 12 7 20 19 6 4 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 2 5 9 11 5 7 7 7 10 11 14 8 16 10 21 24 65 72 45 26 33 22 100 45 25 9 7 6 4 5 11 20 42 16 18 20 41 65 36 38 20 9 4 6 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 94 d 1H J 62 | 77 76 dd 1H J 17 59 | 76 76 d 1H J 62 | 71 71 s 1H | 68 68 ddt 1H J 9 18 51 | 47 47 t 1H J 35 | 41 40 d 1H J 154 | 40 39 t 1H J 38 | 39 39 d 1H J 154 | 37 36 dt 1H J 36 117 | 35 34 dt 1H J 35 119 | 34 33 td 2H J 35 60 | 31 30 qt 1H J 33 55 | 29 28 td 2H J 9 74 | 24 24 s 2H | 21 19 m 3H | 13 13 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)c1c(C)cc2c(Br)cccc2c1OS(=O)(=O)C(F)(F)F
ir: 7 8 16 7 13 15 12 16 32 36 7 14 3 6 7 8 3 4 4 4 3 5 6 6 6 18 7 15 17 4 4 4 10 4 6 8 6 5 8 4 3 4 7 8 21 51 3 6 13 34 10 3 7 11 3 1 2 4 5 0 3 4 6 2 4 9 33 10 7 22 32 41 15 9 9 14 4 6 1 1 8 17 7 4 4 32 6 2 4 8 0 19 10 10 2 35 59 100 79 8 4 5 5 19 11 3 2 3 4 5 20 56 7 10 5 6 7 8 5 5 6 3 1 30 4 3 2 4 8 7 4 4 5 11 3 5 4 3 4 6 15 18 10 7 7 8 7 11 9 5 4 2 38 1 2 3 13 10 6 6 3 2 3 3 3 1 6 5 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 2 3 4 4 3 2 4 4 2 4 4 3 1 3 5 6 11 19 9 13 100 10 12 7 3 4 5 3 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 83 m 1H | 82 82 s 1H | 77 77 m 1H | 74 73 m 1H | 44 43 q 2H J 71 | 26 26 s 3H | 14 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@H](C)Oc1nc(N)c2nc(OC)n(CCCCC3CCOCC3)c2n1
ir: 3 2 2 3 4 5 2 3 5 5 5 2 10 6 2 3 2 4 4 5 6 2 4 3 3 6 8 6 2 2 4 4 4 4 4 3 5 3 9 4 5 3 10 1 7 2 1 2 2 3 3 5 2 3 9 3 5 4 3 2 3 5 7 5 16 5 2 2 3 3 5 12 5 8 7 4 5 7 4 5 3 3 7 6 1 2 2 5 3 1 1 3 2 4 5 3 3 2 2 6 7 13 14 8 29 17 17 24 39 18 10 10 15 27 18 11 24 18 14 42 9 27 23 19 15 7 15 8 10 5 6 2 2 6 5 1 3 2 2 2 2 1 1 2 3 4 3 1 1 1 1 1 2 6 1 1 0 1 1 1 1 2 19 1 1 1 1 5 6 1 1 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 1 0 0 0 0 0 1 1 1 0 0 0 1 1 1 0 0 0 1 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 3 4 7 7 9 12 9 27 29 8 8 11 6 6 14 25 35 100 67 11 9 9 18 6 6 4 2 3 1 2 1 2 2 2 1 4 13 2 1 1 2 2 3 26 3 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H | 46 45 h 1H J 65 | 43 42 t 2H J 74 | 40 39 s 2H | 37 36 ddd 2H J 33 59 111 | 35 34 ddd 2H J 32 59 110 | 19 18 p 2H J 72 | 19 18 dq 1H J 68 135 | 17 17 dtd 2H J 33 61 134 | 17 15 m 2H | 15 14 m 7H | 14 13 m 1H | 13 13 m 4H | 9 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(O)cc1)C1(C(=O)Nc2ccc(F)cc2)CC1
ir: 0 2 2 2 1 1 1 3 3 3 4 9 5 2 2 1 1 1 1 1 1 1 1 1 1 2 3 3 3 5 5 5 4 3 3 4 13 5 2 17 5 4 2 2 3 3 20 11 17 6 2 5 6 2 12 27 42 8 3 1 1 2 1 0 1 1 1 1 6 13 1 0 1 1 1 0 1 2 2 6 19 18 6 4 3 10 3 4 3 6 10 8 2 5 4 2 1 1 2 2 1 2 3 7 27 5 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 3 1 2 2 4 5 3 1 1 1 1 1 1 1 1 1 1 1 2 2 13 10 8 5 2 7 22 25 32 31 18 46 6 2 2 1 1 1 2 1 16 7 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 3 2 2 1 1 1 16 4 2 2 8 12 74 23 12 7 8 8 9 15 100 27 10 4 3 2 1 2 1 2 2 4 5 8 13 13 29 24 3 5 4 3 3 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 s 1H | 89 89 s 1H | 77 77 s 1H | 75 75 m 2H | 74 73 m 2H | 72 71 m 2H | 67 67 m 2H | 19 19 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(-c2nc(-c3ccc(C(N)=O)nc3)no2)ccc1-c1ccccc1C
ir: 3 3 2 4 3 3 4 9 8 5 2 9 11 22 36 10 4 5 5 5 16 17 7 8 8 4 2 5 4 4 9 32 19 31 9 6 3 5 4 2 4 5 13 8 3 3 2 1 2 3 3 1 2 5 23 8 9 5 4 3 3 2 2 2 2 3 10 7 7 8 9 6 3 2 2 4 4 3 4 3 3 5 2 3 2 4 5 3 3 8 18 10 6 4 2 3 4 3 2 3 3 3 1 11 5 3 2 2 2 2 1 2 3 2 2 2 4 10 4 6 3 4 3 3 2 3 3 5 12 5 13 11 5 3 4 5 20 6 25 23 14 40 2 4 3 3 3 10 4 20 12 13 14 4 12 7 11 12 100 7 5 0 8 19 2 2 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 6 11 43 58 18 7 6 3 2 2 2 2 2 2 2 3 2 2 3 5 36 49 6 2 3 2 2 2 2 2 2 3 3 5 39 3 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 93 92 d 1H J 20 | 84 84 dd 1H J 20 88 | 82 81 d 1H J 88 | 80 80 dd 1H J 21 107 | 78 77 dt 1H J 9 20 | 77 76 dd 1H J 12 79 | 74 73 m 3H | 73 72 td 1H J 13 75 | 64 64 s 2H | 47 47 d 2H J 7 | 35 34 s 2H | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(OCCCC)c(OC(C)=O)c1
ir: 7 3 4 1 1 2 3 2 1 3 3 2 5 5 2 4 4 1 3 1 3 5 5 5 4 43 26 20 5 2 2 1 1 1 2 3 5 2 2 3 3 4 7 5 6 3 6 3 2 1 3 2 6 19 55 23 6 3 3 2 2 5 9 8 6 10 12 9 17 35 18 11 15 6 6 4 3 3 1 1 0 0 0 1 1 1 2 9 3 11 9 1 1 1 2 3 4 5 33 48 7 2 1 2 2 2 11 5 3 6 14 10 3 7 27 16 12 16 16 13 6 12 13 18 33 15 22 21 9 3 3 1 1 1 2 2 1 1 2 2 5 21 56 29 32 35 11 7 9 20 40 7 6 33 27 10 3 1 1 1 0 1 11 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 6 3 5 2 8 2 6 4 3 6 7 13 18 39 39 34 14 79 100 19 2 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 d 1H J 90 | 68 67 dd 1H J 23 89 | 66 66 d 1H J 23 | 40 40 td 4H J 29 64 | 23 23 s 2H | 18 17 pd 4H J 20 67 | 15 14 h 4H J 70 | 10 9 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1ccc(F)nc1)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C
ir: 4 3 2 7 5 9 9 4 3 6 11 4 4 2 1 2 2 1 2 2 2 2 2 2 1 6 5 3 2 1 1 2 2 2 3 4 12 4 2 2 3 2 2 2 2 1 2 2 3 1 2 2 4 13 8 4 3 2 2 2 2 3 2 2 2 1 2 3 2 2 4 2 3 3 2 2 2 1 2 3 2 2 3 11 7 2 3 10 2 3 6 2 2 2 5 4 5 5 8 2 3 2 2 2 2 2 2 2 7 4 3 2 2 3 7 3 3 7 10 10 3 5 4 4 4 5 5 4 8 9 13 8 4 5 13 5 11 7 5 2 1 2 2 1 1 2 3 1 3 12 7 100 6 0 1 3 2 0 1 4 9 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 3 3 4 11 5 11 11 5 6 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 ddd 1H J 7 20 27 | 77 76 m 1H | 70 70 dd 1H J 78 102 | 39 38 m 1H | 36 36 dd 1H J 24 106 | 36 35 dd 1H J 51 106 | 35 34 qdd 2H J 31 55 115 | 32 31 ddd 1H J 32 54 113 | 31 30 m 2H | 15 14 s 7H | 14 14 d 3H J 71 | 11 11 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC1NC(=CC#N)c1cccnc1Cl
ir: 4 5 3 4 7 5 8 4 9 6 13 18 35 14 13 14 7 13 5 8 14 7 4 7 2 1 2 5 5 21 67 16 11 3 6 5 7 100 8 10 17 2 7 3 3 2 3 9 5 3 2 3 3 2 1 3 1 1 5 3 7 24 43 29 25 7 4 2 1 2 5 3 4 1 2 1 1 1 5 13 3 3 3 3 6 8 4 4 5 2 3 2 1 1 3 2 1 1 4 6 4 2 3 4 1 1 3 1 0 2 2 2 6 13 19 2 1 6 6 10 6 4 6 3 5 94 8 4 2 2 2 2 4 6 13 35 24 21 66 9 7 3 3 17 10 47 11 1 2 6 12 7 16 19 28 20 3 3 12 5 1 3 26 14 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 0 2 18 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 1 1 1 1 1 1 2 2 3 5 3 8 5 50 30 8 24 7 4 7 2 0 2 3 1 1 2 2 1 1 1 2 1 1 2 7 9 7 86 61 55 8 7 6 18 5 5 4 1 2 1 1 1 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 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 dd 1H J 21 43 | 78 78 dd 1H J 22 81 | 73 72 dd 1H J 42 81 | 58 58 d 1H J 59 | 58 57 s 1H | 34 33 ddt 1H J 47 59 66 | 16 16 ddd 1H J 46 68 79 | 15 14 dqd 1H J 46 58 128 | 14 13 ddd 1H J 48 70 81 | 13 12 dqd 1H J 46 58 128 | 12 11 ddddd 1H J 15 26 53 67 104 | 9 8 td 3H J 15 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OS(C)(=O)=O)c(Cc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)c1
ir: 9 4 8 11 12 11 16 13 3 10 9 21 11 10 10 18 21 25 27 26 23 21 21 16 8 13 6 12 7 4 4 3 3 3 3 2 3 3 3 2 2 5 4 6 3 1 1 0 1 2 4 2 10 8 5 7 3 2 6 6 7 9 52 7 3 2 3 20 18 7 10 12 59 13 3 4 2 1 3 3 1 2 3 5 11 20 31 60 100 58 35 18 5 7 13 16 22 7 7 14 11 38 15 5 5 2 3 3 2 2 17 4 20 8 6 1 3 2 3 1 6 11 17 11 7 6 4 2 1 0 0 1 1 0 1 1 1 0 0 1 2 1 9 8 3 2 1 5 4 14 78 40 4 9 4 8 7 1 1 1 1 22 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 6 3 1 1 1 1 1 1 1 1 1 1 3 7 34 11 15 13 26 20 10 5 2 25 21 5 6 2 2 1 1 1 1 1 1 2 1 2 3 6 4 5 17 63 1 2 2 1 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 71 71 m 1H | 71 70 m 2H | 69 69 s 1H | 65 64 dt 1H J 9 18 | 64 64 ddt 1H J 9 21 121 | 48 48 s 2H | 39 39 q 2H J 9 | 32 32 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)NC(=O)C(CC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1
ir: 7 13 1 4 8 5 3 7 18 7 6 24 21 16 12 8 9 9 11 20 8 5 4 6 15 5 4 6 8 8 12 21 18 4 5 13 9 4 5 12 8 3 3 8 5 2 6 18 33 5 9 10 8 9 61 21 6 0 10 17 4 2 9 12 28 7 8 8 6 7 8 8 4 2 5 6 5 3 7 10 8 3 12 13 56 6 9 38 17 8 6 5 2 3 6 7 3 26 19 8 3 8 20 7 1 7 11 7 0 5 10 5 1 6 10 4 0 5 9 4 2 7 15 12 11 15 15 5 3 10 8 4 2 5 6 3 2 5 6 4 10 25 8 12 4 7 16 3 4 10 11 84 100 35 7 8 8 7 4 2 4 6 5 2 4 6 4 2 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 4 5 3 2 5 5 2 3 5 5 2 3 5 5 3 3 5 5 3 4 6 5 2 6 8 5 5 8 6 7 7 6 9 7 8 12 55 13 6 6 8 5 4 5 6 4 2 5 6 3 3 4 6 5 3 6 6 5 12 29 31 72 37 13 7 3 4 6 6 2 3 5 5 2 3 6 4 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2; 1HNMR: 93 92 s 1H | 80 80 m 2H | 76 75 m 2H | 71 71 q 1H J 48 | 37 36 m 1H | 28 28 d 3H J 49 | 21 20 ddd 1H J 69 79 146 | 18 18 ddd 1H J 70 77 147 | 17 15 m 5H | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1
ir: 4 5 4 3 4 11 12 4 6 4 4 2 7 1 1 1 6 6 7 2 2 1 4 4 3 3 5 4 7 2 2 1 3 2 5 7 3 7 16 4 7 12 9 15 35 18 4 3 2 1 2 4 2 4 15 18 9 3 1 5 1 2 1 2 1 5 3 9 20 5 2 2 8 2 1 1 1 2 1 1 1 1 1 0 1 1 1 2 2 1 1 4 2 1 3 2 11 20 9 5 3 2 4 6 1 0 1 0 0 1 1 0 0 4 8 4 3 1 3 2 1 3 3 3 1 1 2 1 1 3 1 1 3 5 4 3 0 1 2 5 3 1 1 2 4 2 2 7 7 15 70 15 9 4 24 14 25 2 1 1 1 0 1 5 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 3 5 8 24 9 4 18 1 1 1 1 1 1 1 1 0 1 1 1 3 5 11 2 1 3 17 8 7 5 16 3 2 2 100 9 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 31 | 91 90 d 1H J 31 | 85 85 s 1H | 80 80 ddq 1H J 9 19 30 | 76 76 dd 1H J 47 92 | 75 74 m 3H | 73 72 m 3H | 69 69 d 1H J 9 | 48 47 d 2H J 9 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1C=CCC1(c1ccccc1)c1ccccc1
ir: 3 2 2 2 1 2 3 6 3 4 5 5 5 1 1 3 2 2 1 2 3 5 2 2 2 1 13 25 10 4 14 7 17 24 17 6 4 6 2 7 8 1 27 15 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 3 2 1 1 2 1 1 3 4 4 11 7 4 5 8 2 3 4 5 4 7 4 4 3 7 2 5 46 14 14 4 3 9 5 3 4 3 1 2 2 2 1 1 1 1 1 1 2 1 0 1 2 2 1 1 2 2 1 4 3 3 1 3 3 2 2 2 2 1 1 3 2 1 1 3 10 12 19 12 1 6 2 3 11 8 18 13 8 5 2 2 2 4 7 7 6 2 1 2 1 1 3 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 2 2 1 1 1 2 1 1 2 2 0 1 2 1 0 1 3 2 1 1 4 2 1 4 5 14 10 38 100 59 15 8 3 2 7 48 31 7 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 1H | 73 73 s 1H | 73 73 s 8H | 61 60 ddt 1H J 9 40 84 | 59 58 dtd 1H J 17 37 88 | 50 50 tdt 1H J 10 19 42 | 30 30 ddt 1H J 10 37 163 | 29 28 ddt 1H J 10 37 163 | 25 25 d 1H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(C(F)(F)F)cc1-c1ccoc1
ir: 5 4 7 6 6 4 5 13 6 4 2 6 7 5 3 6 4 6 3 3 4 4 3 6 14 10 3 3 2 5 6 16 18 10 5 12 17 0 2 4 3 0 2 6 2 0 3 5 11 2 5 23 32 4 22 64 39 16 29 94 40 4 3 3 9 8 29 58 57 16 8 11 9 5 3 7 7 5 3 2 2 4 5 5 3 11 26 23 10 15 11 12 5 4 3 3 1 1 20 32 44 5 3 3 6 10 19 15 36 14 79 100 34 51 48 16 6 9 9 13 8 17 7 9 4 11 29 60 41 4 2 4 2 6 6 4 4 3 4 2 3 5 59 22 6 9 6 2 2 1 15 12 4 6 9 7 2 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 7 18 12 3 3 3 3 5 6 3 9 12 17 25 32 73 73 65 59 77 50 35 13 8 8 0 8 20 16 4 3 3 2 2 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dqt 2H J 13 26 39 | 76 76 dd 1H J 8 17 | 76 75 t 1H J 16 | 74 73 m 1H | 68 68 t 1H J 12 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1nc2[nH]c3c(c(=O)n2n1)SCCC3
ir: 2 1 1 2 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 9 1 17 2 2 2 4 3 3 3 3 2 20 48 16 100 6 0 3 5 2 1 1 2 2 1 2 3 2 1 2 2 2 3 2 2 1 2 3 3 2 1 2 2 1 1 2 2 2 1 2 3 2 3 3 4 9 4 3 2 1 1 2 2 1 2 3 2 2 4 3 2 1 2 3 2 1 2 4 6 2 2 3 2 1 2 3 3 2 3 4 4 2 2 3 2 7 14 9 11 2 1 1 1 1 2 6 11 3 2 2 1 2 3 2 3 35 30 24 2 2 1 2 1 1 1 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 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 1 3 3 4 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 2 2 2 3 3 21 8 22 4 2 3 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 1 1 1 1 1 1 1 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; 1HNMR: 78 77 s 1H | 33 33 s 5H | 29 29 m 2H | 27 27 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(Cl)nc3ccc(Br)cc23)cc1OC
ir: 0 1 1 1 1 0 1 1 0 1 1 0 4 2 5 6 13 2 3 1 2 2 2 5 7 1 1 5 6 4 35 2 1 1 2 2 1 1 2 1 2 1 1 0 0 2 16 2 11 4 4 1 2 2 12 19 79 5 2 0 1 2 2 4 4 2 2 1 5 7 2 3 2 1 2 1 1 2 1 1 1 1 1 7 1 2 6 2 2 3 2 1 2 1 1 1 2 3 1 1 2 3 1 3 1 1 0 0 1 0 0 1 2 8 1 1 10 1 2 3 1 4 6 4 1 3 1 1 1 0 1 1 0 0 0 0 1 7 37 2 48 2 1 8 1 2 5 33 12 17 3 6 14 2 1 6 1 1 1 1 1 1 4 2 1 100 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 0 0 1 0 0 1 1 1 1 1 1 1 2 4 15 3 31 15 1 2 1 3 2 1 0 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 27 | 80 79 d 1H J 82 | 77 77 dd 1H J 25 83 | 75 75 dd 1H J 17 89 | 73 73 d 1H J 17 | 71 70 d 1H J 88 | 39 38 d 6H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21
ir: 1 2 8 7 1 9 10 2 2 3 6 5 11 5 3 6 4 9 6 18 11 38 30 11 4 5 4 8 5 3 4 3 4 14 8 12 9 21 20 12 26 19 30 23 4 8 11 4 5 6 2 0 2 2 2 1 1 4 3 1 2 1 1 0 1 2 1 2 1 4 2 2 3 13 11 6 7 7 18 30 11 6 5 2 6 3 2 3 3 3 1 4 1 2 1 3 2 1 1 2 1 1 1 1 1 1 1 2 2 4 5 2 2 3 5 10 2 5 5 4 4 13 3 9 3 40 33 3 2 4 5 12 17 7 5 8 19 7 2 4 7 17 33 58 12 27 64 48 20 25 18 3 3 2 1 2 2 1 8 9 2 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 2 2 2 4 4 8 3 3 6 6 3 10 65 49 8 1 2 2 2 5 7 100 30 22 6 1 1 1 1 1 1 3 3 3 8 17 28 12 8 7 3 2 1 1 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 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 0 1; 1HNMR: 78 78 m 3H | 75 74 m 4H | 74 73 m 2H | 63 62 m 1H | 36 35 q 1H J 70 | 36 35 s 3H | 13 12 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)[C@@H](N)N=C(c2ccccc2F)c2ccccc21
ir: 7 9 14 15 14 8 2 5 7 8 5 4 9 2 1 4 7 4 16 14 6 3 2 4 4 3 11 27 9 2 6 5 6 4 11 12 9 2 2 9 11 9 54 94 19 8 2 5 3 2 2 5 4 3 2 8 4 3 7 9 6 8 10 37 13 10 6 4 10 31 46 32 9 11 21 20 20 26 52 59 32 29 24 18 10 3 5 7 2 3 7 3 3 4 5 4 1 3 7 4 2 4 7 7 12 4 16 28 13 4 5 6 24 11 9 9 5 9 8 6 20 9 14 24 88 22 35 21 19 11 9 9 5 8 13 30 21 36 8 5 15 19 10 25 8 6 9 8 33 57 8 2 2 4 4 6 3 4 4 10 10 17 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 2 1 4 3 1 1 4 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 4 1 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 3 4 3 2 3 4 4 1 4 5 8 8 32 57 46 11 10 10 8 1 5 7 4 9 6 6 5 5 14 21 39 77 16 11 4 25 100 6 3 2 2 3 3 3 3 3 2 3 4 3 3 3 4 3 2 3 4 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 76 75 m 5H | 75 74 td 1H J 16 76 | 73 73 m 1H | 73 72 m 1H | 45 44 t 1H J 74 | 35 35 s 2H | 30 29 d 2H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC=CC(=O)OCC
ir: 11 19 8 30 11 16 6 10 15 26 13 25 3 6 6 2 5 5 10 4 4 4 4 2 2 4 4 2 9 14 10 3 3 3 3 3 3 3 4 5 4 5 8 4 4 4 3 2 3 4 3 2 3 3 4 3 5 5 3 3 3 4 3 4 6 5 5 5 5 5 3 2 5 13 23 27 9 6 5 5 9 16 16 31 42 14 5 3 4 3 4 5 4 4 3 5 6 5 4 3 5 5 4 5 5 6 15 28 33 9 58 52 10 26 14 20 10 23 44 17 28 23 14 11 15 13 17 16 14 18 10 5 5 4 4 5 5 3 2 4 5 6 23 68 62 86 18 9 8 9 4 4 3 3 2 4 3 2 3 5 4 0 18 22 20 8 4 2 3 3 2 2 2 3 3 2 3 3 3 3 2 2 2 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 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 5 4 7 4 9 7 12 13 14 11 6 8 15 6 4 17 54 44 100 45 11 9 9 3 1 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 dtt 1H J 10 57 158 | 58 57 dt 1H J 12 157 | 42 41 q 2H J 62 | 23 22 tdd 2H J 11 57 79 | 14 13 m 2H | 13 12 m 11H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccc(F)cc3)CC2)cc1
ir: 4 4 3 3 5 10 3 4 10 6 5 25 9 10 8 10 8 11 5 7 6 14 36 31 13 19 8 6 4 4 6 4 7 18 7 5 4 3 3 5 2 3 2 3 7 2 3 2 4 2 3 11 7 3 33 38 18 9 6 4 6 8 5 3 7 12 6 4 4 6 3 4 6 5 8 6 12 21 18 35 28 14 14 28 48 6 5 11 7 7 11 7 4 4 3 5 4 5 10 17 13 5 3 2 3 2 2 2 3 2 2 4 13 5 9 6 12 3 4 4 5 6 5 10 10 13 3 5 4 3 6 3 6 2 6 4 5 2 3 2 2 3 4 7 29 7 5 44 13 4 9 3 7 2 2 3 2 1 1 2 2 18 2 2 2 1 2 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 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 2 2 2 2 2 2 2 3 3 4 4 3 2 2 2 3 5 5 5 13 83 10 6 5 4 4 1 3 6 22 100 4 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 99 99 s 1H | 78 78 m 2H | 72 71 ddt 2H J 9 35 81 | 70 70 m 4H | 38 38 s 2H | 36 35 d 2H J 9 | 30 30 ddd 2H J 45 72 117 | 28 27 ddd 2H J 46 73 118 | 25 24 ddd 2H J 45 72 136 | 23 22 ddd 2H J 46 72 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](NC(=O)OC(C)(C)C)C4)c23)no1
ir: 7 9 6 8 7 9 5 6 5 5 5 5 3 5 5 6 42 9 11 17 9 10 7 5 6 11 21 22 44 24 78 18 15 7 10 6 6 8 7 4 5 5 46 13 9 6 4 3 8 4 8 4 4 10 6 4 12 29 68 12 9 10 5 6 6 18 18 24 11 10 4 4 5 6 11 16 7 5 3 4 4 35 3 5 13 11 4 4 5 19 7 6 5 12 6 6 15 7 9 7 7 8 6 6 6 13 6 6 6 12 14 10 22 29 4 5 6 8 11 7 10 9 14 6 8 20 5 10 22 28 75 16 11 5 4 4 13 9 6 3 4 5 5 32 15 50 23 7 10 20 42 7 11 5 6 6 100 0 20 27 16 2 6 8 4 2 3 5 3 3 3 4 3 3 3 5 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 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 4 4 6 4 4 5 5 4 4 5 5 7 5 7 11 9 29 7 7 5 6 14 6 22 8 5 4 4 4 4 3 5 4 4 4 4 4 6 4 4 4 18 26 55 89 39 27 12 5 6 4 6 4 5 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 98 97 s 1H | 84 84 s 1H | 79 78 d 1H J 66 | 66 66 s 1H | 48 47 d 1H J 88 | 40 39 m 1H | 38 38 dd 1H J 20 117 | 36 35 m 3H | 34 34 m 1H | 25 25 s 3H | 19 18 m 2H | 18 17 m 1H | 16 15 m 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C12CC3CC1CC(c1ccccc1)(C3)C2
ir: 0 1 2 1 3 1 1 1 1 1 2 1 6 3 1 2 2 1 2 1 1 1 3 9 9 3 2 2 3 2 4 3 4 1 1 1 1 1 1 2 6 100 2 1 1 1 0 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 2 2 1 1 2 2 8 5 37 6 3 2 3 4 4 6 3 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 2 3 3 5 4 3 3 7 2 4 3 2 1 1 2 1 1 1 2 1 2 1 3 3 6 6 3 3 7 2 4 5 4 9 7 17 11 3 1 4 18 5 2 1 2 2 2 8 15 44 15 1 1 1 1 1 0 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 2 6 1 1 4 8 2 4 6 21 14 12 74 16 3 4 2 2 1 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 72 72 m 2H | 30 30 dq 1H J 30 37 | 23 23 d 1H J 135 | 23 21 m 2H | 22 21 s 3H | 21 21 dd 1H J 42 134 | 21 20 d 1H J 137 | 20 19 dd 1H J 38 128 | 19 19 dd 1H J 28 136 | 19 18 m 2H | 18 17 dd 1H J 39 128 | 17 16 ddd 1H J 35 58 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
SCc1ccncn1
ir: 4 8 3 2 7 2 0 2 8 5 0 2 3 1 0 3 27 3 8 16 1 2 1 2 2 1 1 3 3 2 3 6 14 80 21 9 92 10 17 14 12 6 4 6 23 7 12 41 11 6 9 9 2 1 2 3 2 1 2 2 2 2 2 13 6 3 11 3 1 26 7 79 36 6 40 6 2 2 2 3 4 5 3 4 3 3 3 5 15 14 3 3 1 1 2 2 1 1 2 2 2 2 6 5 3 4 2 2 2 6 19 10 5 40 11 2 0 2 3 2 2 3 3 3 1 2 2 2 1 2 2 3 3 1 15 76 34 5 6 2 1 2 2 3 4 98 10 0 39 7 5 2 2 6 7 10 20 100 39 21 3 3 2 1 2 2 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 0 3 4 1 26 8 4 32 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 3 3 4 2 3 3 2 8 4 5 22 17 15 9 17 4 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1; 1HNMR: 91 91 t 1H J 16 | 88 88 dd 1H J 16 37 | 71 71 ddt 1H J 9 18 35 | 39 39 dd 2H J 9 68 | 21 21 t 1H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(SCc2ccccc2)c(Cl)c1Cl
ir: 1 1 1 1 0 0 1 6 1 0 1 0 0 1 1 0 0 1 4 2 1 1 1 0 0 1 2 1 1 3 3 0 1 2 2 0 42 6 3 3 2 5 7 2 2 1 2 1 1 1 1 0 5 55 17 34 2 4 2 13 1 1 1 1 0 1 2 3 10 7 3 1 1 1 1 1 2 4 2 0 0 1 1 0 1 1 0 3 8 1 1 1 10 0 1 1 1 6 3 1 1 1 0 1 1 0 1 0 1 2 3 1 2 1 0 0 1 0 1 1 1 2 1 1 2 1 1 1 1 1 0 1 1 3 5 46 3 7 3 1 0 2 25 15 2 1 3 1 2 4 4 3 2 2 1 1 1 2 5 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 1 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 3 3 6 10 100 26 18 2 3 4 1 2 0 2 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 73 72 m 2H | 69 68 d 1H J 82 | 41 41 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)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C
ir: 2 3 7 4 0 5 10 4 8 7 5 4 2 5 12 5 4 9 42 7 8 7 12 6 4 4 4 2 2 9 4 3 2 4 5 4 5 7 5 5 8 11 4 0 2 6 5 1 2 11 7 8 9 8 9 4 8 8 8 3 11 17 6 19 16 9 9 11 7 6 8 6 6 21 4 5 9 7 5 4 7 4 3 2 5 6 4 3 6 12 5 5 13 12 4 8 9 5 7 9 13 19 22 21 57 27 46 41 42 14 19 30 22 27 10 27 24 18 33 24 23 41 36 37 28 14 10 20 11 11 7 9 6 8 14 23 18 9 7 14 16 3 24 42 38 13 10 5 9 4 3 4 5 3 3 5 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 4 2 1 3 5 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 4 3 0 3 4 3 1 3 4 2 1 3 4 2 1 3 5 2 2 3 4 2 1 4 4 2 1 3 4 3 2 3 4 2 2 4 4 3 3 5 5 3 6 7 8 7 12 16 17 34 19 29 40 32 24 57 31 100 49 29 33 17 12 9 4 1 5 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 48 47 dd 1H J 51 79 | 29 28 dd 1H J 49 164 | 26 25 dd 1H J 75 163 | 22 21 dd 1H J 78 142 | 20 19 m 3H | 19 18 m 1H | 17 10 m 23H | 9 9 m 5H | 9 8 m 7H | 7 6 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(N2CCC([C@H](O)c3ccccc3-c3ccc(Cl)cc3)CC2)cc1
ir: 3 4 9 6 8 21 21 11 17 16 6 9 16 6 10 9 14 44 22 5 7 20 5 2 5 8 2 2 2 4 4 3 1 4 6 4 2 3 3 0 2 6 9 94 7 2 2 5 3 3 4 7 10 26 65 40 20 17 13 3 12 8 6 1 8 8 6 8 25 6 9 15 25 8 13 11 7 6 5 6 4 22 26 19 12 28 31 43 13 14 10 7 18 24 17 9 7 7 6 10 5 4 4 5 1 3 5 7 11 9 8 9 3 25 12 13 10 29 6 5 10 24 14 13 10 19 7 4 10 6 3 3 2 2 4 7 36 16 4 5 10 47 23 32 12 7 6 15 27 13 15 31 56 8 8 3 3 12 3 2 2 1 3 28 11 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 0 1 2 2 1 1 3 2 2 4 4 3 1 3 9 3 2 4 5 5 2 6 18 20 19 50 100 52 26 6 0 10 12 6 81 20 5 2 0 2 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 78 77 dd 1H J 15 77 | 75 75 m 2H | 75 74 m 1H | 74 73 m 4H | 68 68 m 2H | 49 48 m 1H | 44 43 q 2H J 64 | 34 33 ddd 2H J 59 85 123 | 33 32 m 3H | 22 21 dp 1H J 55 77 | 20 19 ddt 2H J 58 86 125 | 16 15 ddt 2H J 57 86 123 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(NC(=O)c3nnn[nH]3)cs2)cc1
ir: 1 1 2 2 4 4 7 6 1 3 5 2 1 2 2 1 4 3 2 2 1 2 2 1 1 2 2 1 2 2 2 12 15 4 6 3 2 2 2 3 8 6 20 44 79 40 7 8 26 7 5 9 6 6 6 7 10 3 3 2 2 3 3 6 3 3 1 1 4 5 2 4 3 3 4 3 2 2 2 3 3 3 1 2 2 4 3 2 9 8 2 5 9 10 1 2 3 2 2 2 2 3 2 37 41 9 0 2 3 1 0 1 3 2 0 1 3 2 2 4 3 2 1 2 3 10 8 4 5 7 2 6 4 2 1 3 2 1 1 2 2 1 1 2 4 10 100 67 20 4 9 23 8 2 2 2 3 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 1 3 5 14 6 18 9 5 5 4 4 3 2 3 2 2 3 2 3 1 1 5 3 2 2 3 19 16 16 7 32 18 10 5 2 1 1 2 2 1 1 2 1 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 95 95 s 1H | 78 78 m 2H | 73 73 s 1H | 73 72 m 2H | 24 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(NC(=O)Nc2ccc(Oc3ccnc(-c4nnn[nH]4)c3)cc2)cc1
ir: 3 2 4 4 6 5 12 14 11 13 8 14 3 5 4 7 2 3 4 2 4 4 5 4 14 18 11 3 2 3 4 3 3 6 15 4 3 6 4 3 15 38 77 13 8 23 14 12 67 4 21 9 12 29 11 67 38 14 17 18 9 5 1 2 11 6 3 5 26 20 5 3 3 16 8 3 3 5 3 2 2 3 4 2 4 4 4 10 5 7 21 4 6 3 1 5 8 6 3 4 2 2 5 6 28 28 0 2 4 2 1 12 5 3 2 2 4 2 1 2 4 2 2 6 10 16 20 9 34 5 3 2 2 1 1 2 3 2 1 3 5 2 2 4 8 2 8 16 12 17 23 62 100 47 69 25 9 3 3 2 4 4 31 12 4 2 2 3 2 1 2 3 2 1 2 2 1 1 1 3 2 1 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 2 2 4 2 0 2 5 4 7 4 15 35 95 41 25 9 5 7 4 5 3 3 2 2 3 4 2 3 1 3 3 3 6 10 17 13 83 60 36 73 10 5 3 2 2 3 2 2 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 88 87 d 1H J 47 | 87 87 s 1H | 84 83 s 1H | 76 75 m 4H | 73 73 d 1H J 22 | 71 71 dt 2H J 9 79 | 70 70 dd 1H J 22 48 | 69 68 m 2H | 27 26 qt 2H J 9 73 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccncc1F)C1CCOCC1
ir: 6 3 5 2 2 2 4 4 2 2 4 2 4 5 7 2 1 13 39 27 3 3 1 2 2 15 2 5 2 1 2 1 2 1 1 1 1 5 0 1 1 0 10 2 2 7 4 5 5 2 2 1 1 4 4 3 3 2 3 1 2 2 6 8 3 2 1 7 3 7 30 3 14 22 17 8 6 25 3 3 3 2 7 4 5 4 7 41 100 31 32 36 6 9 4 2 2 2 6 4 1 3 1 2 6 4 4 6 1 2 3 7 5 5 7 12 6 9 8 5 17 8 3 3 4 2 2 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 1 6 1 0 0 3 3 1 0 2 7 5 1 1 1 1 2 93 2 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 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 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 2 2 6 3 3 4 2 2 2 2 2 4 3 23 10 6 35 15 5 6 3 1 1 4 15 33 2 2 2 1 1 1 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 14 39 | 83 83 dd 1H J 13 140 | 74 74 m 1H | 48 48 dddd 1H J 7 42 51 89 | 37 37 ddd 2H J 29 57 110 | 35 35 ddd 2H J 30 58 110 | 33 33 d 1H J 51 | 23 22 dp 1H J 63 88 | 19 18 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(OCCOCc2ccccc2)c(C(F)(F)F)c1
ir: 0 16 6 4 4 2 1 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 6 2 2 1 1 2 2 2 7 2 3 1 1 2 3 2 5 12 5 4 3 2 2 5 1 1 1 0 1 2 1 2 17 3 2 2 1 1 1 4 3 1 1 2 3 12 13 2 3 2 3 5 2 2 1 1 2 2 10 3 1 1 1 1 1 1 6 4 9 2 15 3 2 2 4 3 2 12 4 7 2 2 2 5 8 4 2 2 4 5 1 3 1 1 1 1 1 3 3 2 4 3 1 1 1 1 2 2 1 1 1 2 2 9 1 2 1 1 1 1 4 26 2 4 2 1 1 2 2 8 1 3 6 2 13 100 6 2 2 1 1 2 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 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 2 3 1 3 4 14 47 18 4 3 2 1 2 1 1 1 0 1 1 1 1 1 1 2 19 13 3 0 0 1 1 0 0 2 2 4 76 17 0 2 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H | 71 71 dq 1H J 9 20 | 68 68 d 1H J 84 | 67 66 dd 1H J 22 82 | 46 46 s 2H | 45 45 t 2H J 8 | 42 42 t 2H J 49 | 39 38 t 2H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)C2CC2C(=O)N1Cc1ccccc1
ir: 7 5 12 12 9 19 3 7 5 7 10 6 18 7 7 24 15 6 3 4 5 3 6 4 2 2 2 2 3 2 27 7 8 2 4 14 44 71 40 52 8 53 9 4 5 10 5 3 4 3 1 1 1 1 3 1 1 2 3 7 9 4 1 3 2 2 1 8 12 18 5 2 6 8 2 3 3 6 8 4 8 24 32 45 19 2 19 55 19 27 7 2 16 9 3 6 6 15 14 4 4 8 4 2 3 4 1 1 2 1 2 4 25 12 7 5 8 27 13 7 7 5 4 2 3 1 1 2 15 5 4 8 7 4 3 38 2 18 30 11 6 3 7 30 7 10 15 15 9 5 8 64 100 12 5 4 2 2 1 6 17 2 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 6 3 17 10 27 93 21 9 4 4 3 1 3 31 8 4 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 73 73 s 3H | 46 46 m 1H | 45 45 s 1H | 44 43 m 1H | 27 27 q 1H J 63 | 16 15 qq 1H J 14 62 | 15 15 m 4H | 13 13 dt 1H J 61 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c2c(c1C)C(O)CC2
ir: 11 6 5 4 7 3 4 3 3 1 1 2 3 2 2 2 4 2 4 5 4 2 3 2 5 3 1 2 2 2 2 6 3 2 2 3 2 0 2 3 2 1 2 3 2 1 1 4 2 0 1 3 1 0 1 3 2 0 4 3 3 4 5 10 8 17 9 4 10 5 5 7 4 6 5 4 3 5 6 12 19 10 14 36 100 61 54 9 8 6 7 6 8 3 3 4 2 2 3 12 7 6 3 2 2 3 2 8 9 8 6 3 3 3 3 3 2 4 4 3 1 4 6 8 9 9 4 2 2 2 2 1 1 2 2 1 0 2 3 4 6 3 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 2 3 3 14 2 0 1 2 2 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 5 3 4 3 10 4 5 7 4 5 4 3 14 2 7 7 8 13 6 7 2 4 2 6 10 98 64 25 2 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 3 3 3 4 6 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 1 0; 1HNMR: 65 65 s 1H | 52 52 q 1H J 43 | 42 42 d 1H J 42 | 38 38 s 2H | 31 30 ddd 1H J 60 79 156 | 29 28 ddd 1H J 60 79 154 | 23 22 dddd 1H J 46 60 79 127 | 23 22 s 6H | 21 20 dddd 1H J 46 60 79 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1CCN(CC2Cc3ccccc32)CC1
ir: 3 9 14 3 1 5 2 1 2 2 4 5 3 1 1 1 0 1 1 0 1 2 1 1 1 3 4 1 1 1 1 3 3 1 1 0 2 3 6 12 34 100 40 47 27 26 3 4 3 2 2 1 1 1 4 5 2 4 7 9 5 2 1 2 1 2 5 4 5 7 4 7 9 6 18 25 1 0 3 6 10 8 13 14 12 5 4 3 2 2 13 14 19 7 2 3 2 6 6 4 3 5 6 4 6 30 37 16 8 3 3 1 2 4 6 33 22 18 19 17 13 1 4 4 8 1 4 5 4 4 2 2 1 6 7 28 20 35 6 8 7 2 0 2 2 1 1 1 1 1 5 4 1 1 1 1 1 3 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 1 0 0 0 0 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 2 3 4 8 5 6 11 20 45 22 6 4 2 2 2 1 1 2 2 2 2 1 1 2 3 2 10 35 75 23 7 2 1 1 1 1 1 1 1 1 1 1 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 1 0 1 0 0 0; 1HNMR: 72 71 m 3H | 71 70 m 1H | 32 32 dd 1H J 46 114 | 31 31 m 2H | 30 29 ddd 1H J 7 64 134 | 29 28 m 3H | 28 27 m 1H | 27 27 m 3H | 24 24 dd 3H J 15 48 | 20 19 dddd 2H J 46 55 82 128 | 17 16 dddd 2H J 45 55 81 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCC[C@@H](C)COC(C)(C)C
ir: 3 2 2 3 5 6 4 1 3 3 2 1 3 5 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 2 8 9 13 2 0 1 1 0 1 3 5 1 1 3 5 1 1 1 1 1 3 12 10 7 10 21 13 42 5 3 4 2 2 4 9 12 3 9 6 4 4 4 3 2 2 2 1 1 1 1 0 1 1 1 1 1 2 2 0 3 6 3 6 7 8 21 30 5 7 16 14 7 11 17 10 11 3 3 3 5 7 8 15 26 11 9 6 5 6 4 2 9 10 29 26 8 5 3 2 1 1 1 0 0 1 0 0 0 1 1 1 1 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 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 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 0 0 1 1 1 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 10 13 5 5 6 10 6 5 7 14 9 13 24 100 87 20 9 1 2 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 36 35 dd 1H J 55 112 | 33 32 dd 1H J 54 111 | 18 17 ht 1H J 54 72 | 16 14 m 2H | 14 13 m 1H | 13 12 m 2H | 12 12 s 9H | 12 11 m 1H | 12 11 m 1H | 9 9 d 3H J 72 | 9 8 dd 6H J 13 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2ncnn2c2c1cnc1[nH]ncc12
ir: 13 12 9 3 6 3 3 3 1 1 2 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 7 2 1 1 1 2 2 2 2 2 2 1 1 3 1 1 1 1 5 2 1 1 1 8 2 1 1 1 1 1 1 1 1 2 2 1 1 1 4 5 1 1 2 3 31 16 7 5 1 1 1 1 1 2 2 6 4 1 6 4 1 2 4 2 2 2 2 3 3 11 1 2 1 0 2 12 14 11 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 9 10 2 4 2 2 1 1 1 1 1 1 1 1 1 2 23 16 4 2 2 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 6 4 3 1 1 15 10 1 0 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 1 1 1 1 2 3 5 4 100 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 7 7 14 4 9 13 11 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 2H | 83 83 s 2H | 82 82 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C[C@H]([C@H](O)CO)CN1C(=O)OCc1ccccc1
ir: 5 3 8 17 23 11 13 6 4 4 7 6 5 8 8 4 3 2 2 3 4 4 5 3 4 4 11 34 18 5 4 9 5 2 2 3 3 1 3 6 14 5 3 2 2 2 4 4 3 2 2 3 4 3 3 3 3 7 8 5 5 7 3 3 3 4 3 11 6 3 4 8 3 3 5 6 3 3 3 3 2 3 2 2 3 4 3 17 67 14 22 23 6 3 6 5 5 5 7 4 2 3 9 8 3 3 4 3 2 3 4 3 2 2 2 2 2 3 4 4 4 4 7 7 6 4 2 2 2 2 2 3 4 8 45 12 5 3 3 2 2 4 8 7 3 4 3 13 18 2 2 5 5 40 16 0 2 5 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 2 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 3 2 2 3 3 2 2 3 2 2 5 3 3 3 3 2 3 2 3 6 12 11 9 25 14 5 4 2 2 3 51 100 40 3 3 4 2 2 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 73 m 5H | 52 51 s 2H | 41 40 dd 1H J 28 114 | 39 38 m 2H | 38 37 ddd 1H J 47 61 119 | 36 36 d 1H J 56 | 35 35 ddd 1H J 48 61 119 | 33 33 t 1H J 60 | 27 26 dd 1H J 44 150 | 25 24 ddd 1H J 18 62 149 | 24 23 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c1nc([C@@H](C)Nc1ncnc3[nH]cnc13)n2-c1ccccc1
ir: 4 14 12 10 16 18 15 40 12 10 22 11 13 26 16 18 21 31 8 9 16 8 13 4 7 1 16 9 5 6 5 7 9 13 5 12 27 41 46 2 9 12 6 10 17 14 23 7 5 4 3 3 7 2 2 2 3 3 3 2 2 1 5 6 3 3 3 5 5 8 6 3 2 14 6 3 10 13 19 8 2 2 4 8 17 52 6 0 6 5 1 1 2 11 1 2 3 4 12 6 2 2 1 5 3 3 4 7 26 15 3 3 6 15 11 7 4 13 6 7 21 37 32 23 7 4 9 8 5 15 74 13 5 12 7 16 10 5 7 17 9 18 58 83 17 24 50 13 36 92 50 36 4 2 4 2 1 3 1 14 2 9 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 2 2 2 2 2 6 3 11 12 5 18 36 31 9 2 3 2 1 1 1 0 1 1 2 1 2 2 1 1 4 9 9 4 3 10 74 100 59 18 5 12 5 1 1 1 0 1 1 0 0 0 1 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; 1HNMR: 83 83 s 1H | 81 80 d 1H J 57 | 80 79 d 1H J 80 | 77 76 dd 1H J 13 71 | 74 73 m 7H | 72 71 ddt 1H J 8 15 82 | 54 53 dq 1H J 57 81 | 26 26 d 3H J 7 | 19 18 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CC#N)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1
ir: 1 2 1 1 1 1 1 2 1 3 7 6 5 7 4 2 2 4 2 2 0 1 1 0 0 2 2 2 0 1 1 1 2 3 1 0 1 1 1 2 2 1 0 0 0 1 1 2 1 1 1 1 1 2 2 1 1 4 3 1 0 1 1 1 1 1 1 2 2 3 1 0 1 1 1 1 5 1 3 1 1 1 1 1 5 2 2 3 7 33 4 1 2 1 1 1 1 1 0 1 1 1 1 1 2 2 1 3 1 2 2 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 3 2 1 4 1 1 1 1 3 2 2 1 0 1 1 4 1 1 1 12 1 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 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 2 1 1 1 1 1 3 2 2 2 8 2 1 1 1 1 0 0 1 2 3 100 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 39 39 d 1H J 60 | 39 37 m 3H | 35 34 d 1H J 130 | 34 33 d 1H J 130 | 30 30 s 2H | 29 27 m 2H | 27 26 ddd 1H J 34 57 125 | 26 26 m 2H | 24 23 d 1H J 167 | 20 20 dt 1H J 25 97 | 19 18 m 1H | 19 18 m 2H | 18 17 dd 1H J 46 125 | 18 17 m 1H | 17 16 m 2H | 16 15 m 3H | 15 13 m 5H | 13 12 d 7H J 134 | 10 9 s 2H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc2ccc(Nc3ccccc3)nc21
ir: 1 1 1 0 1 1 5 3 2 2 1 2 1 2 4 5 3 1 1 1 0 1 2 11 10 3 1 2 1 2 6 27 16 4 1 1 2 2 4 8 20 11 14 3 2 1 1 1 2 1 1 1 3 8 13 25 4 1 1 2 1 1 1 1 1 0 1 4 5 7 1 1 1 1 1 1 1 3 5 1 1 0 1 2 1 0 1 1 1 1 2 3 2 2 7 6 2 1 1 1 5 6 2 9 29 9 4 2 2 1 1 3 1 1 1 0 0 1 1 1 0 1 1 1 1 1 2 2 3 3 2 1 0 2 3 2 1 8 4 3 2 2 1 1 1 2 21 4 33 100 9 5 7 2 17 16 13 4 1 2 3 4 25 3 2 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 7 15 20 35 11 11 6 6 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 2 11 30 24 4 1 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 93 s 1H | 80 80 dd 1H J 14 75 | 76 75 m 2H | 74 73 m 1H | 73 73 m 2H | 69 68 m 2H | 60 60 m 1H | 39 39 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(C=O)Cc1cn(CC=Cc2ccccc2)c2ccccc12
ir: 20 3 3 3 2 1 3 3 5 8 7 5 4 1 3 2 1 1 2 1 1 1 1 1 2 2 2 4 3 24 42 83 12 8 11 8 9 6 8 6 22 32 42 16 1 5 3 5 9 5 3 3 3 2 2 1 1 1 1 1 1 3 5 3 2 3 9 6 6 3 2 3 2 2 2 3 13 13 2 2 1 1 1 1 1 1 1 1 1 5 1 1 1 2 1 2 2 2 2 5 10 4 15 17 5 9 4 3 2 18 6 3 2 3 11 30 9 6 10 5 7 5 3 3 2 10 4 17 1 8 4 7 7 3 4 7 3 2 4 1 3 9 25 95 25 21 15 12 13 22 8 19 4 2 3 13 2 1 1 2 1 7 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 3 1 2 2 2 1 2 2 1 2 5 6 6 30 29 29 24 100 41 18 22 9 5 4 1 1 3 4 2 0 2 2 1 1 2 2 0 1 2 4 2 10 98 11 4 2 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 96 95 dt 1H J 9 59 | 76 76 m 1H | 75 74 dd 1H J 15 64 | 74 73 m 6H | 73 72 m 1H | 72 71 td 1H J 14 71 | 70 69 d 1H J 12 | 66 66 dq 1H J 12 130 | 62 61 dt 1H J 40 137 | 60 59 d 1H J 81 | 49 48 dt 2H J 11 40 | 45 44 dq 1H J 59 79 | 33 32 ddt 1H J 9 59 145 | 30 29 ddt 1H J 9 58 145 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccccc2Cc2sccc21
ir: 3 2 1 2 5 8 4 5 3 2 2 3 7 2 1 2 3 1 1 2 3 19 6 10 3 1 2 7 4 2 1 3 3 1 2 4 11 3 3 6 59 100 53 76 4 5 3 5 6 9 19 14 6 2 3 3 2 1 2 3 2 1 5 3 2 1 2 2 2 3 2 2 1 1 6 10 2 1 2 2 1 1 2 6 2 2 3 4 8 22 3 9 3 2 3 2 3 3 4 4 4 11 6 2 1 2 2 3 2 6 6 2 1 2 2 2 1 2 4 6 11 13 5 4 3 7 36 18 5 11 18 7 2 5 14 3 20 2 3 2 2 10 68 15 2 2 2 1 5 13 3 4 8 14 17 6 12 30 4 4 8 55 3 0 2 4 3 1 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 2 2 3 2 2 2 5 5 6 28 39 33 36 74 7 4 2 2 3 5 3 3 3 2 2 2 2 2 2 6 10 7 4 9 27 60 26 10 15 2 2 4 3 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 93 93 s 1H | 74 74 dd 1H J 14 83 | 73 73 d 1H J 59 | 72 72 m 2H | 71 71 d 1H J 57 | 71 70 m 1H | 41 41 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CO)Cc2ccccc2O1
ir: 15 4 1 2 2 2 5 6 2 2 9 4 3 2 6 6 4 1 1 1 2 2 1 1 1 10 7 1 1 1 1 2 1 1 2 2 1 1 1 6 7 42 24 15 7 2 1 0 1 1 3 4 3 1 1 1 3 2 1 1 2 2 1 9 5 3 3 1 2 6 3 1 2 5 7 3 2 1 1 2 3 4 13 24 42 84 100 48 21 17 10 10 31 12 17 11 6 4 2 4 2 1 1 2 3 1 1 1 1 0 0 0 2 1 0 0 1 2 4 2 6 2 1 2 10 9 3 13 16 6 2 1 0 1 0 1 3 21 4 9 5 5 1 1 1 0 0 1 8 10 6 1 0 0 1 0 0 0 10 3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 2 1 1 1 5 6 4 3 1 1 2 2 2 4 33 13 25 65 29 5 2 1 2 3 7 9 15 2 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 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 70 69 m 2H | 41 40 t 1H J 63 | 40 39 dd 1H J 64 115 | 37 36 dd 1H J 62 115 | 33 32 dd 1H J 8 148 | 30 29 dd 1H J 8 147 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NCc1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1
ir: 4 1 1 4 2 4 1 1 1 1 1 1 1 3 1 0 0 0 0 1 1 1 2 2 1 3 3 8 6 24 5 6 8 2 2 1 1 1 1 1 1 4 2 2 3 1 1 2 10 2 1 1 2 3 10 10 2 2 1 1 7 1 2 0 0 0 1 8 8 6 3 1 1 1 1 10 1 1 0 1 0 0 1 2 0 0 1 1 1 1 2 2 1 1 1 3 3 0 1 0 1 1 0 0 1 2 1 1 0 1 2 2 1 1 1 1 1 1 1 2 3 3 9 9 9 4 1 2 2 2 3 0 1 0 1 6 12 2 11 5 2 1 5 7 8 10 3 4 11 100 2 7 2 1 3 2 0 0 1 1 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 3 7 3 5 18 17 7 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 3 8 19 4 9 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; 1HNMR: 83 82 dt 1H J 10 19 | 75 73 m 4H | 73 73 dtd 1H J 13 21 79 | 72 72 m 2H | 68 68 d 1H J 93 | 61 60 m 1H | 45 45 dd 2H J 8 59 | 42 41 q 2H J 63 | 40 39 dq 2H J 9 17 | 39 39 s 2H | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1
ir: 0 9 12 3 3 6 10 10 4 12 3 4 4 5 3 5 2 4 3 3 6 16 15 13 12 10 16 17 15 18 9 16 4 12 8 4 4 18 35 45 57 53 9 5 5 5 10 5 4 6 4 1 3 5 3 3 3 5 2 1 3 5 5 6 5 9 8 27 16 10 9 8 15 20 11 20 9 17 7 15 11 6 9 7 5 7 6 13 21 33 34 7 21 10 9 7 8 13 6 9 7 4 0 3 8 9 29 9 5 6 4 13 22 10 5 6 6 9 14 14 11 6 7 11 14 18 9 7 18 15 17 7 7 11 8 13 11 5 8 36 15 7 18 12 11 6 6 6 5 4 5 10 59 15 18 24 7 3 3 3 3 2 2 6 34 2 2 3 2 1 2 35 3 1 3 3 2 1 2 3 4 1 2 2 2 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 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 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 3 1 1 3 2 1 2 3 2 2 2 3 2 2 3 5 10 6 3 4 4 6 6 5 5 11 14 24 10 24 24 27 51 100 43 22 19 16 8 6 5 5 7 7 3 2 2 3 2 1 3 13 18 4 3 2 2 2 2 2 2 2 5 10 55 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 m 7H | 67 67 s 2H | 43 42 m 1H | 25 24 d 3H J 7 | 15 15 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CC(=O)[C@]2(CO2)C12CC(C)(C)CC(C)(C)C2
ir: 6 3 2 3 5 5 6 4 5 8 12 3 3 5 1 1 2 3 0 2 1 0 6 1 1 2 7 13 2 1 1 1 2 2 2 2 1 1 2 5 16 4 1 1 2 4 20 12 3 2 1 2 1 0 2 1 10 3 1 3 6 8 9 3 11 8 4 5 2 1 2 1 3 2 1 6 5 9 1 2 3 2 3 2 1 2 5 16 8 2 3 2 1 1 2 2 0 1 2 4 4 3 28 13 5 3 2 2 1 4 3 4 2 1 3 2 4 5 6 13 9 11 4 5 5 8 11 11 14 4 8 13 5 5 5 2 2 2 1 5 12 3 7 7 2 27 79 3 1 2 2 2 2 2 1 0 1 1 2 4 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 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 1 1 1 0 0 1 1 1 1 1 1 1 4 5 4 2 5 9 12 6 4 6 7 7 12 41 100 16 5 0 3 4 16 22 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 35 34 d 1H J 40 | 32 31 d 1H J 40 | 27 26 dd 1H J 48 159 | 23 23 dd 1H J 66 159 | 21 21 m 1H | 16 15 d 2H J 135 | 14 14 s 2H | 13 12 d 2H J 135 | 11 10 m 10H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(Nc2cccc(Br)c2)nc1C(F)(F)F
ir: 3 5 5 3 2 3 2 3 3 4 9 5 4 6 3 10 12 5 8 22 15 24 100 39 17 11 18 59 87 36 14 8 9 13 29 5 5 10 10 20 33 61 24 5 6 8 34 45 9 3 2 4 3 1 2 3 4 4 2 2 2 2 2 2 4 4 6 14 6 2 3 1 2 14 5 5 16 17 27 11 15 18 4 4 4 4 11 14 18 8 4 2 2 11 2 3 17 6 7 27 2 5 2 3 46 12 14 3 2 2 2 3 2 2 9 17 3 4 5 3 2 2 2 2 3 8 8 6 3 2 3 2 2 2 2 2 2 2 1 6 7 16 19 10 15 7 12 6 6 22 44 9 38 51 6 11 7 8 5 0 57 6 71 23 3 3 2 2 2 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 2 3 2 2 3 5 9 23 28 21 4 4 2 3 2 3 4 29 8 6 3 3 2 1 3 4 2 2 2 4 8 31 22 45 35 23 10 5 2 2 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 88 88 s 1H | 80 80 m 1H | 75 75 ddp 1H J 19 42 62 | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1c1cc(F)ccc1OC1CCOC1
ir: 6 3 4 9 4 16 15 12 6 15 30 13 3 8 6 3 8 3 3 5 4 6 7 10 2 9 7 1 2 2 2 2 4 3 1 0 1 2 2 8 9 3 2 7 12 3 2 6 9 11 13 5 4 18 38 52 12 8 8 6 4 6 5 3 4 7 8 7 23 8 4 14 12 10 5 11 19 10 7 3 3 2 3 10 7 3 6 9 11 2 12 6 3 3 2 1 8 5 3 4 7 6 10 20 32 18 6 6 9 19 17 5 29 35 11 5 7 6 6 11 16 11 10 15 14 9 8 9 18 12 14 39 12 2 0 2 2 1 1 2 4 4 5 12 39 27 3 3 3 10 12 100 9 9 2 2 1 1 1 2 1 5 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 1 1 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 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 2 1 1 3 3 5 3 6 7 7 14 12 4 1 8 9 5 16 33 45 6 55 28 2 4 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 73 ddd 1H J 7 22 121 | 71 70 ddd 1H J 22 84 103 | 69 69 dd 1H J 46 85 | 53 52 m 1H | 50 49 tt 1H J 24 47 | 43 42 dd 1H J 18 138 | 42 41 d 1H J 135 | 41 40 m 1H | 39 39 ddd 1H J 31 49 110 | 38 37 m 2H | 32 31 dd 1H J 50 152 | 30 29 dd 1H J 67 151 | 24 23 dtd 1H J 31 47 139 | 22 21 dtd 1H J 30 46 138 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.