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CC(=O)c1cccc(C(F)(F)F)c1F
ir: 6 3 7 3 3 3 2 3 4 6 2 4 6 9 4 3 4 3 2 3 3 3 3 6 4 2 2 4 28 2 3 4 2 3 3 1 2 12 29 68 8 2 3 4 6 1 3 11 56 2 2 5 2 0 2 4 2 0 2 4 2 1 2 4 3 5 5 5 5 5 48 17 3 3 4 4 2 1 3 6 3 2 4 5 2 2 3 3 1 1 3 3 1 2 4 5 1 30 16 30 92 1 6 4 1 2 4 2 1 2 5 3 7 6 4 33 24 9 6 5 2 3 5 5 2 27 31 6 3 4 4 3 7 19 4 3 2 3 5 6 26 39 17 5 3 4 4 2 1 78 63 1 2 4 3 2 2 3 13 4 3 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 3 3 2 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 2 3 2 1 3 3 2 2 3 3 1 2 3 3 2 2 4 3 2 3 4 2 2 2 3 2 2 2 3 3 7 6 9 27 7 4 100 15 12 2 5 3 2 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 ddd 1H J 11 40 86 | 78 77 dddd 1H J 13 26 51 117 | 74 73 dd 1H J 86 118 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncccc1Oc1sc(C(=O)O)c2c1-c1c(cnn1C)CC2
ir: 3 1 2 1 1 6 3 2 1 2 4 10 2 6 23 5 3 4 15 4 7 24 100 40 8 2 3 4 1 1 1 2 2 1 2 7 23 7 3 5 1 3 0 1 0 1 1 0 1 0 1 0 0 1 2 1 0 1 1 2 1 4 13 6 2 1 8 3 3 3 2 5 1 3 1 2 14 47 6 14 4 1 1 1 4 5 9 4 6 2 5 3 2 1 4 2 3 4 3 4 1 0 1 0 2 5 0 2 4 2 3 11 17 6 3 2 1 1 2 2 4 7 4 5 2 2 1 1 1 2 13 7 2 5 41 6 1 4 13 9 1 1 2 2 2 3 11 24 1 2 2 4 1 3 44 21 7 2 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 0 1 1 1 0 3 1 2 2 6 9 11 7 9 19 8 14 3 2 1 0 1 1 14 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 1H J 21 43 | 74 73 d 1H J 9 | 71 71 dd 1H J 44 79 | 69 69 dd 1H J 20 79 | 39 39 s 3H | 31 30 m 5H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1Oc1ccccn1
ir: 1 1 1 5 2 1 1 1 2 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 6 14 2 0 1 8 100 46 1 3 3 0 5 15 20 4 2 2 1 0 3 6 8 3 1 0 1 1 1 1 1 1 2 1 1 1 1 3 2 1 1 1 1 1 3 2 1 1 3 7 8 4 1 1 1 0 1 1 0 1 7 5 1 1 0 1 3 5 2 1 1 1 1 1 6 7 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 7 30 35 32 5 11 5 1 1 1 1 1 1 31 58 5 1 1 2 8 9 9 18 15 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 7 6 2 27 36 20 6 3 3 2 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 17 41 | 76 75 td 1H J 17 74 | 74 74 ddd 1H J 15 42 73 | 71 71 d 2H J 75 | 69 69 m 1H | 68 68 dd 1H J 13 75 | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)o1
ir: 1 1 2 1 5 1 1 2 2 4 2 7 2 1 2 4 2 1 1 1 1 1 2 4 1 1 2 2 3 6 4 7 3 1 1 1 1 2 2 2 3 10 15 7 16 27 26 6 3 4 4 4 4 2 1 2 1 4 3 12 5 2 1 1 1 1 1 1 2 2 3 4 6 3 4 2 1 1 2 2 1 2 4 9 3 5 8 6 2 1 2 4 2 5 2 7 3 6 1 2 1 2 1 1 1 1 1 2 2 4 2 1 2 5 4 1 1 3 3 3 7 1 3 1 52 8 0 2 2 1 0 2 1 0 0 1 2 5 1 25 3 1 2 5 24 5 3 5 9 13 8 5 18 13 2 3 28 3 2 1 1 4 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 1 1 1 2 1 2 1 0 1 3 1 0 5 4 6 18 7 25 6 8 3 2 1 1 1 2 1 1 1 1 1 1 1 2 1 4 3 2 5 48 100 7 10 5 3 3 1 1 1 1 0 1 1 1 1 0 1 1 0 1 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 0 0 0 1; 1HNMR: 84 84 s 1H | 75 75 m 2H | 72 72 d 1H J 55 | 71 71 td 1H J 15 77 | 70 70 td 1H J 15 81 | 70 69 dd 1H J 15 75 | 34 33 m 4H | 18 17 m 4H | 17 15 h 2H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCCc1ccccc1
ir: 1 5 9 4 0 5 8 8 6 9 10 8 2 6 8 3 0 5 8 3 2 7 8 5 4 8 9 6 20 19 14 14 26 11 12 8 23 69 41 88 88 41 52 34 14 15 16 5 4 8 5 1 5 8 5 1 5 8 5 1 6 9 5 4 6 8 5 4 10 28 15 4 6 11 5 3 21 9 4 10 13 8 3 2 6 7 3 4 12 18 6 9 9 7 7 5 10 24 35 11 8 6 3 7 10 17 5 5 13 15 6 12 25 11 11 13 18 14 16 12 13 9 7 7 9 6 3 7 7 5 8 10 9 100 18 24 74 47 7 11 9 20 22 45 20 16 23 24 12 4 14 8 8 8 6 10 7 1 4 9 5 1 3 8 5 1 4 8 4 1 4 8 4 0 4 8 4 1 4 7 3 1 5 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 6 6 2 3 7 6 3 3 7 6 2 3 7 5 1 3 7 5 1 3 7 4 1 4 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 5 7 4 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 2 3 6 6 2 3 6 5 2 3 7 6 5 8 17 15 18 13 11 14 9 10 7 43 33 16 75 65 64 82 64 31 37 13 10 8 5 9 18 5 2 6 6 4 3 5 6 3 2 5 6 3 3 5 6 4 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 1 4 7 4 1 4 7 4 1 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 15 75 | 34 34 t 2H J 48 | 27 27 tt 2H J 9 73 | 22 21 tt 2H J 48 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)O[C@@H]1C[C@@H](COCC(=O)NC(N)=O)N(C(=O)OCc2ccccc2)C1
ir: 19 36 34 18 15 43 23 14 0 11 13 44 16 65 12 8 8 7 9 4 7 12 5 5 7 8 20 20 13 5 12 7 7 11 13 31 19 15 24 23 80 9 7 3 4 7 4 1 3 10 4 5 6 13 7 11 18 17 15 29 42 51 40 28 19 4 14 13 16 11 17 13 30 11 10 8 21 14 12 18 12 4 3 3 5 7 9 12 69 28 10 3 5 6 3 6 9 11 8 7 20 33 28 10 6 3 3 5 6 4 5 18 10 4 3 3 5 4 7 7 17 17 36 10 10 7 7 5 9 8 6 5 8 21 5 7 5 4 2 4 5 3 29 52 16 5 6 7 6 28 33 35 76 8 9 6 8 4 13 71 36 4 4 6 3 2 2 5 3 1 2 4 2 1 3 4 2 1 3 4 2 2 3 4 2 1 3 4 2 1 3 4 2 2 4 7 2 2 3 3 1 1 3 4 2 2 3 3 1 2 4 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 3 2 4 3 2 2 3 3 2 2 3 3 1 2 4 4 3 2 4 3 2 3 10 5 2 3 7 7 6 4 7 4 3 5 6 15 100 40 26 11 42 14 17 5 3 3 4 3 2 3 3 3 1 3 4 3 4 12 97 6 4 6 6 30 68 9 6 5 4 11 28 96 81 14 9 4 3 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4; 1HNMR: 90 90 s 1H | 74 73 m 6H | 70 70 s 2H | 54 54 dtdd 1H J 7 28 45 62 | 51 51 s 2H | 42 41 m 2H | 41 40 d 1H J 152 | 40 39 dd 1H J 27 110 | 39 38 dd 1H J 56 109 | 38 37 ddd 1H J 17 46 110 | 36 35 dd 1H J 55 110 | 29 28 s 3H | 24 23 m 1H | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O)ccc(Cl)c1O
ir: 19 4 4 3 3 3 3 3 3 3 3 3 3 4 4 4 5 3 4 4 4 3 4 3 4 3 3 3 3 4 3 3 3 3 3 3 4 5 4 4 4 4 4 3 4 3 3 3 3 3 3 3 4 8 9 4 4 4 3 3 5 6 5 3 4 4 4 3 4 3 3 3 3 4 4 4 5 4 3 4 5 6 6 10 4 5 5 3 18 27 7 6 3 3 4 4 3 5 5 4 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 7 3 3 3 3 3 3 4 5 5 4 3 3 3 4 3 3 3 3 4 3 3 3 3 4 5 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 4 4 3 3 3 3 3 4 4 4 4 3 4 3 3 3 3 3 3 3 4 3 3 4 4 4 3 4 5 5 7 5 10 3 2 4 5 3 22 100 0 4 5 3 2 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 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; 1HNMR: 86 86 s 1H | 71 71 d 1H J 77 | 66 65 d 1H J 77 | 61 61 s 1H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1
ir: 1 2 6 6 7 3 9 5 3 3 4 4 7 1 1 2 3 1 6 8 2 1 2 2 4 2 2 2 2 4 3 1 2 3 2 1 3 3 2 3 2 39 8 6 4 5 2 3 2 1 4 8 8 28 28 21 48 10 6 4 2 3 2 8 2 3 4 7 4 12 13 0 4 2 1 1 2 4 17 4 4 2 2 3 3 3 5 12 10 9 3 2 4 3 1 3 5 3 1 6 3 2 1 2 3 4 1 3 2 20 63 12 4 5 13 9 22 14 5 4 5 2 3 4 4 3 4 9 4 5 5 2 3 4 1 10 9 2 1 1 2 9 8 6 5 4 7 49 14 4 2 6 13 3 2 1 8 2 4 5 3 1 3 2 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 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 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 2 1 1 2 3 1 2 2 1 0 2 3 2 1 6 4 30 100 30 8 6 5 7 2 3 1 1 2 1 2 1 2 3 4 4 3 63 27 5 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 1H | 78 78 m 2H | 76 75 m 4H | 75 74 m 2H | 74 73 m 3H | 72 71 m 2H | 36 36 m 4H | 29 29 m 4H | 19 18 p 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
ir: 2 1 2 5 3 7 9 3 3 3 13 9 4 3 1 5 7 7 12 8 25 10 3 5 5 1 5 4 4 12 8 3 8 14 9 4 9 14 40 26 36 24 29 13 14 8 5 8 5 2 2 5 2 10 19 36 43 47 6 1 6 33 6 8 6 2 1 2 4 15 8 7 7 2 4 5 6 15 18 12 9 1 3 5 5 8 4 3 3 2 3 5 4 10 5 19 10 3 3 4 3 2 4 8 92 4 4 2 2 4 6 6 5 1 1 2 4 4 14 6 2 2 1 7 7 5 5 4 1 4 10 16 40 56 4 7 55 8 2 9 27 14 4 15 3 4 14 17 7 21 12 100 26 16 56 51 8 17 44 17 9 26 26 16 5 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 1 0 0 1 2 2 2 2 3 2 2 1 4 4 7 8 31 54 68 33 6 4 4 4 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 7 8 13 20 10 4 2 1 1 2 1 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; 1HNMR: 88 87 s 1H | 86 85 dd 1H J 20 44 | 81 81 dd 1H J 17 43 | 78 77 dd 1H J 21 80 | 76 76 td 1H J 17 73 | 73 72 m 4H | 72 71 dd 1H J 44 81 | 70 70 dd 1H J 14 75 | 68 67 ddd 1H J 15 44 71 | 65 65 p 1H J 9 | 30 29 ddd 2H J 9 60 67 | 27 26 ddd 2H J 9 60 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nc(Cl)nc(N3CCOCC3)c2cc1OC
ir: 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 2 5 2 2 11 10 5 7 5 2 5 3 1 2 1 3 4 3 5 8 2 1 1 2 1 1 2 1 1 2 3 13 29 9 7 4 0 2 3 3 1 5 2 3 4 8 2 6 3 5 3 5 18 6 1 6 13 3 2 1 1 1 1 1 0 3 2 1 1 6 3 1 1 2 1 2 4 2 2 4 7 7 2 2 1 2 2 2 1 2 1 1 1 2 3 2 14 9 4 1 5 2 5 5 6 6 8 7 3 3 3 1 1 1 1 0 1 1 1 1 1 2 0 24 0 1 100 77 14 2 1 0 1 1 0 1 3 19 13 39 3 1 0 1 2 1 1 1 2 4 35 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 2 1 1 1 1 1 0 2 3 7 1 6 34 11 2 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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; 1HNMR: 74 74 s 1H | 72 72 s 1H | 39 39 s 2H | 39 38 m 7H | 37 36 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
ir: 10 5 5 6 11 8 5 3 2 7 6 3 13 10 3 2 2 3 2 2 2 1 3 2 2 1 2 6 2 1 2 3 2 4 4 2 2 1 2 2 2 1 3 3 2 2 3 2 4 2 4 6 7 6 22 15 5 7 11 3 2 1 3 14 12 3 2 4 4 11 10 2 7 6 10 3 4 4 2 2 2 2 12 2 12 4 9 3 2 2 2 2 1 1 2 2 3 19 10 4 2 1 2 3 2 7 13 13 3 3 3 2 1 2 2 1 1 2 3 4 4 2 3 2 2 4 4 3 1 3 2 1 1 2 2 1 0 2 3 0 1 29 1 3 2 1 2 2 2 2 2 2 4 9 7 22 18 2 2 2 2 4 24 3 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 2 3 2 5 8 9 8 4 3 2 1 2 2 1 1 2 2 1 1 2 3 2 12 24 1 2 2 2 3 4 4 55 100 16 45 34 2 3 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 65 65 m 2H | 61 61 s 1H | 51 51 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1
ir: 10 9 7 8 14 18 9 9 7 13 11 6 2 12 19 9 6 6 15 4 9 3 4 35 16 4 4 6 13 10 12 40 50 19 18 9 7 24 17 10 17 39 10 4 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 5 10 6 9 4 7 5 6 5 7 3 2 2 3 3 4 4 14 6 4 4 4 3 8 3 3 2 2 15 0 5 5 4 3 5 5 7 9 13 6 4 4 4 3 5 15 9 10 7 5 7 21 36 12 10 4 4 8 9 9 13 10 20 27 23 29 20 21 12 11 15 11 6 6 31 21 18 12 4 6 8 7 10 6 11 56 38 71 24 42 100 6 2 5 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 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 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 3 3 4 5 8 4 3 5 5 7 8 4 4 10 7 9 8 22 6 7 70 26 9 7 4 3 3 3 3 3 4 2 7 4 2 3 3 2 2 3 2 2 3 7 35 54 13 12 6 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 5H | 52 51 d 1H J 81 | 52 51 s 2H | 44 43 q 1H J 74 | 38 38 m 2H | 35 34 m 4H | 34 33 dt 2H J 49 115 | 18 16 m 2H | 15 14 m 1H | 14 14 s 8H | 9 9 d 3H J 64 | 9 8 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2CN1CCOc1ccc(CO)cc1
ir: 7 8 4 3 3 3 8 7 5 12 3 3 7 3 1 10 2 7 9 9 5 6 6 8 9 8 45 20 9 5 5 6 9 7 4 14 10 12 49 56 14 5 5 19 9 1 3 12 9 18 4 16 17 15 23 7 4 3 4 4 3 3 6 5 9 5 4 12 15 9 8 6 6 2 2 5 5 3 6 8 7 36 33 21 60 63 90 73 36 17 6 19 7 6 8 3 13 12 8 3 5 2 6 4 1 2 2 2 1 3 8 5 3 8 3 2 5 3 8 17 12 11 23 33 11 13 10 7 7 6 1 5 19 25 14 8 4 23 83 5 3 1 0 3 3 3 5 13 47 35 5 18 28 21 10 74 10 1 9 7 2 5 5 1 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 9 5 3 2 3 6 7 3 6 11 27 60 100 95 26 15 9 5 10 13 14 19 5 4 2 1 1 2 2 1 2 1 3 1 1 2 1 3 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 16 82 | 77 76 ddd 1H J 18 73 83 | 76 75 m 1H | 74 74 ddt 1H J 8 17 81 | 72 72 dt 2H J 9 88 | 69 68 m 2H | 46 45 dt 2H J 9 57 | 43 43 m 4H | 38 38 t 2H J 59 | 25 25 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(-n2c(=S)[nH]c(=O)c3[nH]cnc32)c1
ir: 1 2 3 3 3 22 41 15 6 5 4 2 2 2 2 3 3 5 3 1 1 1 1 1 4 2 1 2 1 1 2 3 1 2 2 5 9 12 12 1 1 1 1 1 1 1 1 4 7 19 3 1 2 3 2 0 2 2 1 0 1 3 3 1 1 3 1 0 10 4 2 4 7 2 3 2 2 8 3 4 3 17 2 1 1 1 1 3 1 1 4 9 1 3 7 1 2 2 6 29 6 16 6 2 1 1 1 1 1 1 17 7 22 4 0 2 4 7 3 2 2 2 5 6 3 3 6 13 5 1 1 1 1 1 1 3 4 1 1 2 15 2 1 2 3 2 1 1 1 1 1 100 27 2 12 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 2 1 1 2 1 0 2 3 8 49 27 77 6 2 1 1 2 2 2 4 16 24 14 1 1 1 1 2 4 6 4 1 3 19 17 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 t 1H J 20 | 80 80 d 1H J 70 | 76 76 dt 1H J 21 55 | 75 75 dd 1H J 23 50 | 75 75 s 1H | 75 75 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[N@@+]1([O-])C[C@H]2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)[C@H]2C1
ir: 9 7 1 3 3 5 1 3 5 4 1 6 6 3 4 7 26 26 12 9 4 2 1 2 2 1 1 2 2 1 2 2 3 1 1 4 3 1 1 4 4 5 2 3 3 2 2 3 4 8 5 1 5 16 100 22 6 6 3 4 10 5 6 5 3 0 3 11 10 4 9 10 3 7 5 4 2 2 3 3 1 1 3 3 6 8 8 6 6 4 4 5 2 4 4 4 1 1 3 2 2 5 4 4 9 3 5 3 1 2 4 4 3 2 4 2 1 3 3 4 4 6 6 3 1 5 19 11 4 3 3 1 1 2 2 1 1 20 4 1 1 3 6 17 4 25 23 4 4 5 3 1 12 7 3 2 2 2 2 2 12 11 4 2 1 6 2 1 1 2 1 0 2 3 2 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 2 3 3 3 2 4 5 5 3 3 4 10 2 31 35 23 21 17 9 6 3 3 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 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 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 77 m 2H | 77 76 m 2H | 75 75 dd 1H J 17 65 | 75 75 dd 1H J 66 84 | 73 73 m 2H | 69 69 dd 1H J 16 84 | 68 68 m 2H | 41 41 m 1H | 38 37 m 1H | 36 34 m 4H | 34 33 dd 1H J 64 136 | 31 30 s 2H | 25 24 m 1H | 20 19 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc2c(c1)NC(=C(C(=O)c1ccccc1)C(=O)c1cc(F)cc(F)c1)N2
ir: 13 16 17 19 56 43 29 27 15 13 14 20 9 7 13 6 7 45 10 27 10 8 11 3 3 2 2 1 3 4 13 21 11 6 7 9 10 4 18 96 4 13 8 55 19 11 5 8 84 72 18 7 8 31 30 5 5 1 6 4 7 3 10 9 10 44 41 36 15 11 16 10 5 2 2 3 2 3 3 2 1 6 4 2 2 0 4 2 2 1 2 2 3 4 4 6 5 2 4 3 0 4 21 81 43 6 4 27 2 3 8 32 10 4 2 4 4 16 13 9 4 9 5 11 21 11 19 6 2 3 3 2 5 4 3 18 2 5 5 2 9 37 9 5 21 5 4 14 28 8 6 19 2 15 10 5 4 3 3 11 13 7 6 39 13 9 3 2 1 2 1 1 1 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 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 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 9 6 16 28 94 56 10 6 6 2 2 2 3 1 1 2 2 1 1 2 2 2 5 5 3 2 2 11 38 100 91 37 11 7 4 3 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 93 s 1H | 90 90 s 1H | 79 78 m 2H | 77 77 m 2H | 76 75 ddt 1H J 15 68 80 | 75 74 m 2H | 73 72 d 1H J 80 | 72 71 tt 1H J 21 121 | 71 70 d 1H J 21 | 60 60 dd 1H J 22 81 | 54 54 q 1H J 48 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(-c2ccncc2)c2snc(-c3ccccc3)c2c1O
ir: 11 37 17 21 26 18 10 9 9 5 2 5 5 2 1 3 5 2 2 6 8 2 1 3 7 11 2 10 19 8 7 10 16 9 3 5 4 1 4 11 8 33 20 6 4 4 3 4 3 1 2 3 4 1 2 3 2 1 10 3 2 4 5 3 3 2 6 3 7 5 2 5 8 34 32 5 9 2 6 4 2 3 5 8 7 21 21 45 20 10 3 5 3 3 3 5 4 7 3 4 1 3 7 3 1 2 3 2 1 17 5 8 1 3 4 2 3 5 7 9 2 4 6 12 4 16 15 4 1 12 20 11 2 9 14 17 5 6 4 1 3 10 21 9 4 5 6 5 5 4 3 5 5 5 4 6 4 3 2 1 5 6 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 8 5 8 11 30 24 7 5 5 3 3 100 18 4 4 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 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 1 2 2 1 1 2 1 1; 1HNMR: 87 86 m 2H | 79 79 m 2H | 77 76 m 2H | 75 74 m 2H | 74 74 m 1H | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO
ir: 2 7 5 4 16 19 3 2 8 3 2 1 1 2 1 1 1 1 1 1 2 1 4 2 1 0 1 1 1 1 1 1 1 2 2 4 1 0 1 1 1 1 3 40 3 1 2 1 1 1 1 1 1 1 0 1 0 0 1 1 1 0 1 5 1 11 9 19 3 2 1 1 1 1 0 1 2 1 0 1 0 1 0 1 1 2 23 11 5 39 5 4 2 1 1 1 2 1 1 2 3 1 1 1 0 1 1 2 2 2 1 2 1 2 3 2 2 2 2 1 1 1 1 1 1 1 2 2 1 15 2 4 2 2 2 1 1 1 2 13 3 12 73 3 4 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 2 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 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 2 4 8 8 4 2 3 2 4 6 100 14 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 7 22 | 75 75 d 1H J 26 | 74 74 dt 1H J 9 20 | 74 73 d 1H J 22 | 42 41 m 1H | 40 39 m 2H | 40 39 s 3H | 38 37 m 1H | 37 36 m 1H | 35 35 m 1H | 34 34 t 1H J 57 | 31 30 m 1H | 27 27 qd 2H J 9 73 | 22 22 s 3H | 21 20 m 2H | 17 14 m 9H | 13 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCCn1cnc(-c2ccccc2)c1)c1ccc(Br)cc1
ir: 5 4 9 6 3 5 8 4 8 7 11 10 11 17 23 17 26 7 15 4 6 2 0 2 2 2 2 2 2 4 8 17 13 7 5 6 17 57 25 26 27 56 9 7 4 1 2 4 2 0 7 7 9 7 38 55 11 7 3 0 2 1 1 4 7 5 4 16 9 14 5 1 2 2 3 2 3 7 5 21 9 2 2 2 1 7 15 15 6 3 1 3 2 4 1 3 5 10 11 27 8 11 9 15 6 8 6 21 20 9 10 25 44 11 5 7 17 24 39 29 11 12 27 11 5 6 5 9 7 5 8 5 24 12 3 17 8 9 7 9 16 44 34 26 9 20 16 10 6 9 22 9 6 2 2 1 1 1 1 1 1 0 1 6 1 0 2 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 6 11 10 9 6 8 4 1 6 11 9 2 45 21 67 100 37 41 18 13 4 2 5 4 3 1 2 2 2 0 2 2 4 4 2 4 5 8 11 11 24 25 13 7 2 2 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 78 78 m 2H | 77 76 m 3H | 76 75 dt 1H J 8 17 | 75 74 m 2H | 74 74 m 2H | 41 40 tt 2H J 9 64 | 33 32 td 2H J 42 52 | 20 19 tt 2H J 51 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@H](C)NC(=O)Cn2nnc3cc(OC)ccc3c2=O)cc1
ir: 5 2 0 2 4 2 1 3 5 4 4 4 7 4 3 7 5 3 2 4 5 4 3 4 5 2 1 4 6 5 5 5 5 15 7 7 4 10 6 6 6 8 7 6 7 6 12 27 25 2 3 7 5 1 9 18 9 9 6 6 10 1 8 10 4 2 7 18 7 4 5 5 4 3 3 4 2 1 3 4 6 2 3 3 2 2 4 4 10 10 4 4 1 2 3 4 2 6 6 3 1 2 4 2 3 3 12 3 1 5 9 4 2 6 8 13 3 6 8 5 5 7 10 4 2 6 5 3 5 10 9 3 2 4 4 1 1 4 5 4 5 14 56 33 40 13 6 15 6 10 8 7 5 7 5 2 4 100 68 0 2 4 4 7 5 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 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 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 2 3 3 2 1 2 3 4 3 3 3 3 3 6 8 10 10 27 13 14 10 6 7 3 1 3 5 2 1 3 4 2 1 3 3 2 2 4 5 4 4 10 27 40 8 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 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: 84 83 d 1H J 83 | 73 72 m 3H | 72 71 d 1H J 21 | 71 70 dd 1H J 22 82 | 69 68 m 2H | 51 50 m 1H | 48 47 m 2H | 38 38 d 6H J 62 | 16 15 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCCC(C)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
ir: 15 7 4 11 7 10 7 13 13 6 4 28 21 26 45 21 19 20 29 12 5 8 7 7 7 4 7 8 8 17 43 8 14 9 4 5 4 5 7 10 13 5 5 4 5 6 8 49 10 10 8 7 36 57 30 9 7 6 5 5 4 5 5 9 8 7 15 13 15 9 11 10 11 10 7 5 4 4 6 6 5 12 18 15 20 21 9 13 13 8 15 18 17 7 5 11 6 32 53 21 6 7 5 5 9 9 8 8 11 7 6 9 4 12 12 13 13 13 17 16 16 9 11 13 11 6 17 5 8 6 5 7 10 10 7 11 7 11 13 12 31 23 18 28 78 22 7 5 3 8 25 54 54 5 13 6 6 7 7 0 91 13 100 16 5 3 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 6 4 3 5 7 8 5 4 6 4 9 9 11 14 16 10 23 15 53 27 11 18 15 7 5 8 6 4 3 3 4 3 4 5 4 5 5 5 6 15 28 38 69 37 15 11 4 5 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 88 d 1H J 75 | 87 86 s 1H | 76 75 t 1H J 22 | 75 75 ddd 1H J 14 21 75 | 74 74 t 1H J 78 | 74 73 ddd 1H J 13 20 79 | 66 65 d 1H J 73 | 61 61 d 1H J 77 | 43 42 dh 1H J 52 77 | 29 29 q 4H J 69 | 25 24 m 2H | 18 15 m 2H | 15 14 m 2H | 12 11 d 3H J 55 | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccnc1C(=O)OC
ir: 9 42 13 29 7 8 7 4 3 3 7 11 8 4 51 26 5 4 4 5 10 45 11 5 2 2 3 2 2 34 6 2 2 3 2 2 5 9 14 55 34 8 4 3 1 3 2 2 2 2 3 2 2 2 2 1 2 5 4 5 10 13 20 28 12 2 2 2 2 3 4 3 7 8 6 11 5 5 2 8 100 46 2 3 3 21 24 10 5 2 2 2 4 5 3 3 4 6 3 2 2 2 2 2 3 2 6 16 12 6 9 12 29 6 9 5 2 4 6 6 3 3 3 2 2 5 44 32 33 37 10 5 4 2 1 3 3 2 32 40 6 0 0 30 35 12 8 4 2 5 4 1 2 13 16 23 10 13 7 5 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 3 4 5 7 4 18 17 14 28 48 40 83 6 2 2 2 2 2 2 2 2 2 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 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 2 2 2 1 2 2; 1HNMR: 86 85 dd 1H J 23 41 | 73 73 m 2H | 43 42 q 2H J 63 | 39 39 s 2H | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1C(C)Oc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)CCC2(C)C
ir: 0 3 2 1 1 1 1 1 1 1 2 1 1 3 5 4 3 2 2 0 0 1 1 2 1 1 1 0 2 1 1 0 0 3 1 1 0 1 1 1 3 10 3 4 4 5 2 0 2 9 82 57 6 2 11 10 16 1 2 2 2 2 2 6 2 4 5 1 6 13 2 3 8 3 1 1 1 2 3 2 2 1 1 1 1 1 2 2 3 3 2 1 1 2 1 1 2 1 3 4 5 2 4 22 11 13 6 2 1 1 1 1 3 4 2 2 3 2 14 11 5 3 1 2 3 4 2 19 7 1 2 3 3 1 1 1 1 1 1 1 1 1 1 5 19 61 12 1 2 7 4 7 12 4 9 40 10 6 7 52 69 13 2 3 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 3 8 14 16 48 38 10 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 3 13 71 100 9 2 1 1 1 1 0 1 1 2 7 6 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 88 88 s 1H | 78 78 s 1H | 77 76 m 2H | 72 72 m 2H | 72 71 d 1H J 8 | 70 70 s 1H | 55 55 m 1H | 23 23 s 3H | 19 19 m 4H | 17 16 d 3H J 57 | 13 13 dd 13H J 12 18
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCOc2cc(OCC(F)(F)F)ccc21
ir: 6 8 3 5 5 4 3 4 6 8 13 9 6 6 7 8 16 9 8 8 11 14 19 9 5 4 4 7 8 5 4 5 6 5 6 6 5 8 16 49 30 11 5 6 5 4 4 5 17 65 15 6 5 4 24 12 27 3 4 5 4 4 5 4 4 9 7 20 31 26 61 48 9 3 5 6 3 3 5 6 3 3 5 5 3 3 5 7 4 29 22 35 14 8 6 6 9 6 5 9 12 18 47 29 23 15 14 14 7 11 11 24 17 8 9 6 8 6 10 16 37 45 20 10 5 8 9 21 62 12 8 4 4 5 6 7 25 29 6 4 4 4 4 4 3 4 4 7 8 11 7 12 34 80 92 12 4 7 5 3 3 19 29 0 4 7 4 2 3 6 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 6 6 10 15 14 11 6 5 6 6 7 6 11 42 33 32 100 81 13 8 7 5 3 5 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3; 1HNMR: 78 78 d 1H J 88 | 68 67 dd 1H J 24 88 | 66 65 d 1H J 23 | 48 47 d 1H J 130 | 47 47 d 1H J 130 | 43 42 m 2H | 31 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(Cl)cc(Nc2ccc(C3CCN(C4COC4)CC3)cn2)c1=O
ir: 26 1 2 2 9 4 2 2 1 1 1 3 2 5 3 2 2 4 7 10 24 6 4 2 2 1 4 9 9 13 22 20 7 5 3 3 4 100 9 9 7 0 3 3 2 1 5 2 5 4 14 30 2 1 10 44 15 3 4 2 2 1 2 2 1 1 3 4 2 4 17 4 5 4 2 9 10 4 2 2 2 3 2 2 4 11 5 4 8 6 14 7 1 2 2 3 3 20 9 4 4 3 3 3 5 8 2 1 2 2 3 4 3 11 6 3 28 11 3 3 1 2 5 4 5 5 14 17 6 6 4 3 2 3 4 5 2 43 71 10 1 2 1 1 1 2 2 25 6 2 7 18 23 7 8 25 3 3 2 0 3 36 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 2 3 2 3 2 2 4 3 6 26 13 25 6 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 9 25 57 32 15 12 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 80 80 dd 1H J 7 19 | 75 74 m 1H | 74 74 s 1H | 71 71 d 1H J 82 | 39 39 dd 2H J 40 92 | 37 37 s 2H | 37 36 dd 2H J 40 92 | 35 34 p 1H J 40 | 30 29 m 1H | 29 28 ddd 2H J 58 84 128 | 27 26 ddd 2H J 58 84 126 | 22 21 ddt 2H J 60 86 128 | 19 18 ddt 2H J 60 84 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(F)c(F)c(COCCCCCCCCO)c(F)c1F
ir: 0 1 1 1 1 1 1 1 0 3 1 1 0 1 2 1 1 1 1 1 2 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 2 1 1 3 1 1 0 0 1 1 1 0 1 1 3 2 1 1 1 1 1 2 1 1 1 3 6 2 1 3 6 8 5 2 8 2 3 2 2 1 1 1 2 2 3 4 3 3 7 19 12 2 14 100 5 9 3 1 2 3 1 0 1 2 1 1 2 4 2 4 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 1 1 1 1 1 1 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 3 2 3 2 1 2 1 2 1 3 5 7 4 1 1 1 3 1 1 5 3 4 18 27 3 5 6 1 1 2 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 48 47 t 2H J 49 | 40 39 s 2H | 36 35 q 2H J 59 | 35 35 t 2H J 60 | 27 27 t 1H J 59 | 16 15 m 4H | 14 12 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCn2c(cc(OCc3ccc(Oc4ccc(F)c(C(F)(F)F)c4)cc3)nc2=O)N1C
ir: 2 5 4 5 11 7 9 17 10 3 7 5 14 10 5 5 2 3 4 2 4 7 5 1 2 1 2 1 2 1 1 1 1 5 4 3 2 5 16 8 5 13 28 26 26 18 59 10 11 0 2 10 7 45 18 27 31 19 6 4 4 2 2 6 19 5 4 13 45 33 34 28 85 41 25 8 7 4 1 3 5 20 7 2 2 5 6 13 18 13 3 13 7 11 11 6 6 28 21 37 28 9 4 1 3 100 6 5 2 2 1 3 12 2 8 20 6 9 4 11 9 39 6 10 15 11 17 10 4 3 5 5 3 2 1 4 9 4 3 10 59 9 91 4 2 3 5 9 40 72 7 5 12 9 94 6 4 2 3 1 8 35 61 7 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 8 3 3 3 3 2 3 3 5 14 25 9 62 80 63 41 21 12 8 6 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 3H | 72 72 ddq 1H J 9 18 29 | 70 70 m 2H | 70 69 ddd 1H J 22 37 77 | 54 53 t 2H J 9 | 53 53 s 1H | 41 40 ddd 1H J 51 78 112 | 40 39 ddd 1H J 51 77 112 | 37 36 tddd 1H J 35 60 66 80 | 29 29 d 3H J 16 | 20 19 dddd 1H J 40 51 77 118 | 18 17 dddd 1H J 51 68 77 119 | 12 12 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(Nc3ccc(CC(=O)O)cc3Cl)sc2c1
ir: 2 4 3 5 4 10 3 2 4 6 3 11 5 5 19 10 5 5 9 41 55 30 20 13 12 11 17 4 10 3 2 1 1 4 2 4 16 4 8 3 2 2 1 4 4 3 3 5 3 3 3 6 6 6 9 3 6 8 6 2 1 1 1 0 1 2 7 4 8 2 1 2 2 2 2 4 31 21 34 43 7 12 9 5 5 9 5 3 5 3 2 2 2 1 4 10 6 3 3 3 10 4 7 3 2 1 2 2 1 1 0 1 1 1 2 2 3 1 0 10 6 5 3 6 6 3 4 2 3 3 3 5 4 13 3 10 14 5 2 1 1 9 17 36 31 8 2 3 2 8 16 27 17 14 44 6 1 0 0 2 3 1 7 4 1 0 2 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 1 1 2 2 2 0 1 2 2 2 3 15 20 20 16 9 4 3 2 2 1 0 20 14 40 5 2 1 2 2 3 2 2 1 3 4 100 18 88 11 7 5 6 5 4 2 1 0 1 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 76 75 d 1H J 74 | 74 74 m 1H | 73 73 m 2H | 71 71 m 2H | 36 36 t 2H J 8 | 24 24 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCc3c[nH]c4ccccc34)CC21
ir: 6 7 2 5 8 4 4 3 1 1 2 5 3 2 1 2 2 2 1 1 2 3 1 2 2 5 6 4 3 4 4 1 3 4 11 5 3 5 5 9 5 10 82 11 6 4 1 2 1 2 5 3 5 1 3 1 2 3 5 8 1 0 2 3 4 1 2 4 5 11 7 3 1 1 6 3 2 4 13 1 2 3 2 1 1 3 9 14 10 6 4 9 3 8 16 2 0 5 6 10 21 4 7 16 18 11 8 2 5 5 1 1 1 2 1 2 6 6 6 5 10 17 16 7 3 3 2 4 3 4 2 1 6 2 1 1 1 4 2 1 6 14 8 5 6 1 1 1 1 1 1 13 6 8 2 2 3 1 1 0 1 6 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 3 5 11 6 6 29 35 30 6 4 4 3 1 1 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 4 2 60 100 19 3 3 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 d 1H J 71 | 76 75 m 1H | 74 73 dd 1H J 12 78 | 74 73 s 1H | 73 72 m 1H | 72 71 m 4H | 70 70 m 2H | 31 30 m 2H | 31 30 m 1H | 30 29 m 1H | 30 29 m 2H | 29 29 s 3H | 27 27 m 2H | 22 21 dt 2H J 14 29 | 15 14 t 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cncc1C(Cl)c1ccc(F)cc1
ir: 1 0 1 1 3 1 1 2 3 1 1 1 1 5 2 1 2 1 0 1 1 2 4 4 1 1 2 7 4 2 1 1 3 6 2 3 12 8 1 1 1 1 1 1 1 0 1 2 12 1 4 15 11 16 100 28 12 3 4 15 6 2 1 0 1 2 9 15 3 10 2 1 1 1 1 2 3 3 3 1 0 1 1 3 6 6 2 2 2 1 9 1 3 14 6 4 4 4 6 7 2 3 5 1 1 1 3 7 14 2 4 4 1 1 2 1 2 11 2 1 1 3 2 2 7 2 17 9 2 2 1 1 0 0 1 1 0 0 0 0 0 2 1 1 1 1 1 9 12 18 6 4 4 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 3 1 1 1 2 2 4 12 5 4 2 4 11 16 64 27 91 17 6 3 4 2 4 3 2 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 q 1H J 9 | 75 75 m 1H | 74 74 m 2H | 71 71 m 2H | 62 62 s 1H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2c(Br)cc(C#N)cc2c1O
ir: 8 9 8 8 13 8 7 7 7 5 5 6 6 5 6 7 7 6 5 6 6 9 6 10 16 9 10 23 24 9 14 18 22 88 100 28 15 12 8 9 6 6 6 10 6 5 6 6 6 5 7 23 30 13 12 9 12 6 5 6 5 6 7 6 5 5 7 9 9 8 7 7 6 6 7 15 7 6 7 7 7 7 12 16 7 6 8 26 22 8 6 9 47 16 8 6 6 6 11 9 7 7 9 17 18 23 11 9 7 7 8 9 9 9 7 6 6 6 9 17 10 7 7 6 5 7 11 5 6 7 7 5 5 5 6 5 5 6 6 5 5 7 14 6 15 8 7 25 16 18 66 20 7 8 7 7 9 8 6 0 63 59 5 8 10 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 10 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 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 6 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 6 5 6 5 6 5 5 6 6 6 5 6 6 6 5 6 8 9 8 21 22 14 12 19 98 98 59 9 6 7 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 91 91 s 1H | 85 84 d 1H J 22 | 81 81 d 1H J 22 | 43 42 q 2H J 64 | 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.
COc1cc2nncc(-c3cnc(F)c(C)c3)c2cc1OCc1ccccc1
ir: 1 2 4 3 1 5 8 4 3 5 6 5 1 3 4 1 0 3 5 4 3 4 7 2 3 9 10 1 2 10 7 3 2 10 23 79 36 12 12 59 58 20 8 2 3 5 5 2 3 4 6 1 3 5 3 2 7 4 2 1 4 6 3 2 4 10 15 8 25 55 17 14 10 7 3 1 4 5 2 2 4 8 3 5 8 4 13 15 12 8 3 2 4 3 1 3 10 16 5 3 6 9 1 4 10 6 0 2 4 2 0 2 5 3 0 2 5 3 1 5 15 8 15 6 8 3 5 100 14 5 14 17 5 4 3 16 10 2 1 3 5 9 14 54 8 20 7 5 4 8 5 12 14 22 7 34 4 2 2 5 3 1 6 4 3 1 4 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 5 4 1 2 3 3 1 3 4 3 1 3 5 4 8 17 14 39 82 35 12 6 4 4 6 3 2 3 4 2 2 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 92 91 s 1H | 87 86 dd 1H J 17 37 | 79 79 m 1H | 78 77 s 1H | 75 74 s 1H | 74 74 dq 2H J 12 67 | 74 73 m 2H | 73 73 m 1H | 51 51 t 2H J 9 | 39 39 s 3H | 23 23 d 3H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(C(=O)N(C)C)oc2cc1N
ir: 2 4 11 9 13 19 16 11 32 15 13 8 11 6 3 6 8 2 2 3 1 3 1 2 0 3 3 1 2 2 2 3 4 8 6 9 14 10 10 4 8 3 2 2 3 3 3 0 1 2 4 2 2 2 1 1 1 2 2 1 2 2 5 4 3 6 10 17 10 4 2 0 2 2 2 2 2 6 9 3 2 2 1 1 1 1 1 8 3 1 0 2 3 2 1 2 6 7 2 2 5 5 3 1 1 1 1 5 2 1 1 0 1 5 3 2 1 3 1 2 2 7 11 3 7 8 4 3 2 1 2 2 2 3 5 7 1 1 1 1 2 2 3 2 3 5 10 17 8 14 3 1 11 11 28 29 9 5 61 9 1 2 1 2 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 0 1 2 2 1 1 2 1 1 2 1 4 17 8 4 8 5 3 2 1 1 1 1 1 0 1 1 1 2 2 21 100 3 2 1 1 1 1 0 1 2 2 15 58 5 2 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 d 1H J 22 | 72 72 s 1H | 71 71 d 1H J 22 | 39 39 s 3H | 32 32 s 6H | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1nc(Cl)ns1
ir: 1 5 3 5 2 1 1 5 2 5 3 7 4 14 5 13 4 8 2 4 4 39 9 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 14 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 2 2 1 4 5 3 7 2 1 1 1 2 2 2 2 2 2 17 17 5 2 2 2 1 5 2 18 7 2 4 1 1 1 1 1 1 2 6 5 6 4 4 7 3 3 6 10 4 2 0 5 0 6 2 2 1 1 1 1 3 2 2 2 2 4 5 3 2 2 2 1 1 100 1 3 3 7 2 11 7 2 4 2 3 19 2 1 1 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 3 2 4 4 5 7 7 3 1 1 1 2 1 0 10 20 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 13 79 | 78 77 dp 1H J 13 106 | 76 76 ddd 1H J 14 65 106 | 75 75 ddd 1H J 14 66 79 | 48 47 dddd 1H J 9 19 55 73 | 45 45 dd 1H J 52 134 | 43 43 ddd 1H J 18 71 133 | 42 41 ddddd 1H J 7 51 61 71 80 | 27 26 ddd 1H J 55 82 135 | 25 24 ddd 1H J 65 75 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(Cl)n(C)c2cc(OC)ccc12
ir: 2 6 5 2 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 2 3 2 7 26 8 3 3 1 1 2 2 1 1 2 4 3 1 2 1 1 1 2 1 2 2 15 19 1 1 2 1 1 2 2 9 32 18 4 2 1 2 3 1 1 2 4 8 13 5 3 2 2 3 2 1 1 2 3 2 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 3 6 1 2 1 0 1 2 1 1 1 3 1 1 1 2 1 1 1 3 5 4 3 4 2 1 3 2 1 1 3 2 7 3 2 6 5 1 3 2 0 0 3 17 100 6 2 33 1 3 11 1 4 47 8 20 12 2 1 1 1 1 10 3 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 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 6 21 7 3 2 5 2 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 5 23 39 18 14 11 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 82 | 71 71 d 1H J 21 | 71 70 q 1H J 49 | 68 68 dd 1H J 22 81 | 38 38 s 3H | 38 37 s 3H | 29 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCNC(=O)n1ccnc1)C1CCCCC1
ir: 8 8 13 12 23 12 32 15 12 11 12 7 11 4 5 5 4 3 2 2 2 3 2 2 5 8 8 8 4 2 2 1 3 4 6 25 19 11 17 6 8 7 20 16 15 9 8 11 9 7 5 3 6 11 5 15 9 6 6 10 3 4 9 6 5 3 3 4 3 4 3 5 5 3 5 5 7 1 3 6 5 15 18 10 4 5 5 4 3 8 4 12 21 11 11 8 5 25 25 11 6 14 11 10 11 10 37 23 20 15 24 59 54 48 68 21 47 17 26 16 34 41 19 24 10 16 12 9 10 15 18 17 30 13 7 4 7 5 8 7 7 18 18 8 11 10 5 3 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 2 2 1 3 3 3 4 3 4 5 14 12 21 22 8 12 16 14 7 15 84 100 42 32 55 86 31 25 13 6 2 2 2 2 1 2 2 2 1 1 2 2 1 3 3 3 7 23 26 24 11 4 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 82 82 t 1H J 16 | 78 77 dd 1H J 17 41 | 72 72 dd 1H J 16 40 | 64 63 t 1H J 49 | 34 33 q 2H J 44 | 31 29 hept 1H J 70 | 28 28 t 2H J 43 | 28 27 p 1H J 53 | 18 17 ddt 2H J 56 80 121 | 16 13 m 9H | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(CO)c(C)c1OCC(F)(F)C(F)(F)F
ir: 14 24 18 35 19 14 9 7 15 12 7 15 5 9 7 4 5 7 7 9 18 7 6 6 7 5 6 8 6 4 5 6 8 17 20 13 5 8 5 20 9 6 5 4 5 6 5 4 5 5 7 5 8 11 7 8 20 7 6 4 28 25 5 6 6 5 6 5 6 5 5 6 6 5 6 6 6 9 10 8 8 6 7 7 7 5 15 47 80 36 41 12 17 11 6 6 8 11 8 14 11 9 10 19 28 6 4 4 5 5 4 9 5 4 4 5 5 4 4 5 6 6 5 5 6 4 9 9 9 10 9 13 8 5 4 6 5 4 4 4 5 4 4 4 4 3 4 6 7 4 14 8 4 4 4 4 4 0 36 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 6 4 5 5 6 5 7 6 5 5 5 4 7 13 14 10 6 6 4 4 5 7 7 12 58 100 23 11 3 2 5 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 81 80 s 1H | 48 48 d 2H J 55 | 46 45 tq 2H J 23 130 | 35 34 t 1H J 55 | 22 22 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CCc3ncnc(NC(C)c4ccc5nccnc5c4)c3C2)c(C#N)c1
ir: 2 4 2 6 3 6 2 1 2 1 2 4 3 2 2 5 4 3 7 7 2 2 2 2 1 1 1 3 4 3 3 2 4 5 5 12 21 18 11 4 3 6 8 5 2 1 2 6 2 2 2 1 11 14 12 5 11 2 3 5 2 1 3 2 1 1 4 6 8 6 2 3 1 0 7 5 1 0 1 1 1 5 1 1 2 4 2 12 4 3 6 16 10 4 5 3 3 7 10 6 3 1 2 1 2 2 2 1 2 3 2 2 2 5 2 3 2 2 4 4 6 6 1 3 2 3 3 4 4 4 3 2 6 2 5 2 2 2 4 22 8 5 1 2 3 2 2 3 11 45 9 13 27 0 3 10 11 100 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 2 1 1 1 2 1 0 1 1 1 0 2 8 4 3 8 24 12 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 2 2 1 2 3 9 12 22 28 9 3 2 3 3 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 d 1H J 35 | 88 88 d 1H J 33 | 83 83 s 1H | 80 79 d 1H J 89 | 79 79 m 1H | 76 75 m 1H | 73 73 m 1H | 72 72 m 1H | 69 68 d 1H J 77 | 64 64 d 1H J 75 | 48 47 m 3H | 37 36 m 2H | 28 27 m 2H | 24 24 d 3H J 8 | 17 16 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1C
ir: 1 2 2 2 2 3 2 1 2 2 1 1 1 2 1 1 1 1 2 2 2 2 2 4 1 2 1 3 4 3 2 1 4 7 6 39 29 34 35 11 6 9 9 2 3 11 9 9 9 3 2 0 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 6 4 3 2 2 1 1 1 1 2 4 1 1 2 1 2 2 1 1 1 1 1 1 3 3 4 7 1 2 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 3 2 2 3 3 7 19 100 33 12 12 12 28 6 18 25 7 4 2 6 1 2 3 7 2 2 4 2 5 1 4 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 5 5 12 15 53 26 6 7 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 4 11 71 11 9 12 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 94 d 1H J 64 | 79 78 m 2H | 76 76 dd 1H J 14 78 | 75 75 m 3H | 72 72 t 1H J 80 | 72 71 ddt 1H J 9 20 82 | 24 24 s 3H | 23 22 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)Nc1cnc2c(c1)cc(C(O)CC1CCOCC1)n2S(=O)(=O)c1ccccc1
ir: 3 5 7 4 3 3 4 5 5 7 9 7 4 8 6 34 12 13 9 4 7 5 2 3 10 8 3 2 5 5 63 17 21 44 9 5 19 24 41 26 22 6 2 4 2 3 4 4 2 2 1 0 2 2 2 1 2 4 2 2 4 8 4 4 4 7 38 4 8 3 2 2 8 5 7 1 5 8 5 4 5 3 2 5 100 12 4 3 9 5 7 15 34 21 35 8 10 4 5 13 5 3 2 6 22 6 8 3 5 3 6 7 2 3 2 2 2 3 4 4 20 10 3 4 5 12 4 5 5 7 5 4 3 1 11 5 6 7 2 3 3 3 10 12 11 35 7 4 54 3 10 3 3 5 1 3 4 4 1 2 2 0 1 5 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 1 2 1 1 1 1 1 1 2 2 2 1 1 2 3 1 2 3 2 1 3 5 3 3 18 17 9 17 19 23 6 14 6 19 15 15 4 2 2 1 1 1 1 1 1 2 2 1 2 2 3 12 24 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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: 87 86 m 2H | 80 79 s 1H | 78 77 m 2H | 77 76 ddt 1H J 15 72 88 | 75 74 m 2H | 72 72 m 1H | 48 47 m 1H | 41 41 d 1H J 53 | 37 36 ddd 2H J 30 58 110 | 35 34 ddd 2H J 30 57 110 | 23 22 dt 1H J 71 133 | 21 20 dt 1H J 70 134 | 19 17 m 3H | 16 15 dtd 2H J 30 59 134 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)OCC)cc2)n1
ir: 3 6 3 4 10 7 2 8 7 5 2 2 3 2 3 4 4 1 2 3 3 2 7 9 3 7 4 8 3 3 4 2 3 3 3 7 5 26 18 40 75 51 14 3 5 5 7 58 19 7 2 6 5 3 10 17 9 2 4 3 4 0 3 3 4 1 4 5 2 13 6 3 3 1 4 8 4 2 6 9 19 14 23 4 2 2 2 2 3 1 2 3 14 3 4 7 2 2 3 6 3 1 3 2 2 4 4 7 9 5 4 8 2 5 15 6 4 9 10 6 5 8 7 6 5 4 5 3 3 5 1 35 6 17 10 4 10 7 40 4 3 4 5 5 14 21 27 100 90 68 8 51 16 9 7 17 26 45 5 2 4 5 3 2 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 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 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 2 2 2 2 2 2 3 3 3 1 5 4 3 5 11 10 23 19 19 68 46 13 8 7 5 2 3 3 1 1 1 2 1 1 2 3 5 5 5 3 10 13 31 15 8 7 13 18 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 m 2H | 77 76 m 4H | 73 73 dd 1H J 16 68 | 69 68 dd 1H J 9 128 | 66 65 t 1H J 49 | 61 60 d 1H J 128 | 42 41 q 2H J 62 | 34 33 s 2H | 32 32 td 2H J 48 59 | 16 15 tt 2H J 57 73 | 14 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.
COc1ccc2c(-c3cnn(C)c3)nc(Nc3cc[nH]n3)cc2c1
ir: 14 7 7 5 8 6 2 3 8 8 6 10 8 4 4 3 4 2 1 2 4 8 2 3 4 1 1 3 2 1 2 4 3 1 2 2 3 2 2 4 3 1 2 4 2 1 2 4 3 4 3 4 4 33 26 16 20 4 30 13 9 7 15 13 13 12 13 14 8 2 3 6 14 31 13 8 6 3 6 11 9 2 2 2 2 1 2 2 1 2 3 4 7 5 20 17 5 7 4 12 2 4 6 7 19 4 8 7 9 4 10 5 11 10 13 8 5 5 12 12 8 9 14 8 5 19 6 8 5 8 14 5 2 2 6 19 3 3 2 2 3 4 4 2 3 15 17 23 14 8 13 5 4 10 9 6 2 4 5 3 2 3 2 1 3 9 12 30 5 4 2 0 2 21 3 2 5 3 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 5 5 3 2 2 2 3 3 4 3 6 4 5 10 7 22 16 100 67 35 13 18 13 4 2 3 3 1 1 2 3 1 1 2 2 1 1 3 3 2 4 12 13 12 44 29 12 4 3 3 3 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 0; 1HNMR: 92 92 s 1H | 82 82 d 1H J 33 | 82 81 d 1H J 87 | 81 81 s 1H | 76 76 s 1H | 76 76 dd 1H J 16 31 | 73 73 t 1H J 23 | 70 70 dd 1H J 24 90 | 68 67 d 1H J 22 | 64 64 d 1H J 14 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(Sc2cc(Br)cc(OC3CCCC3)c2)cc1C
ir: 4 6 4 3 8 6 5 4 6 5 10 10 14 9 3 5 3 5 3 10 1 2 2 3 4 7 4 9 13 7 19 3 2 5 4 2 1 1 2 2 2 2 2 2 3 4 2 2 2 4 3 2 10 23 60 19 12 18 11 6 6 8 18 39 24 100 34 39 11 7 14 9 7 16 5 19 7 5 4 2 2 2 6 17 3 2 7 11 8 15 4 4 7 10 2 3 3 10 7 3 13 16 12 3 5 6 2 2 6 11 4 8 18 4 10 6 1 3 7 9 11 15 15 16 9 7 12 8 6 11 3 5 5 1 2 2 2 1 1 3 2 7 27 24 67 8 10 3 5 26 4 5 16 4 1 3 9 21 6 31 13 5 1 3 1 1 1 1 1 0 1 2 1 1 2 2 1 1 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 1 2 1 1 1 2 1 1 2 3 3 3 3 6 5 7 8 12 4 2 6 10 9 8 40 23 45 59 69 23 23 7 5 3 3 2 1 2 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 3H | 69 69 t 1H J 22 | 69 68 d 1H J 78 | 68 68 t 1H J 21 | 48 47 p 1H J 38 | 47 46 s 2H | 43 42 q 2H J 66 | 22 22 s 3H | 20 18 m 4H | 18 17 m 2H | 17 16 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nccc(C2CCC2)n1
ir: 1 2 3 2 1 5 6 2 2 5 3 2 2 5 3 3 1 2 2 2 1 2 5 3 2 2 3 3 11 2 3 1 8 5 16 37 41 26 3 4 2 1 2 4 12 28 3 3 2 3 2 2 2 2 2 1 2 18 4 2 3 2 3 15 7 15 2 2 2 4 3 10 17 46 6 2 5 4 2 2 3 3 1 1 1 2 1 2 6 2 2 3 2 1 1 1 2 3 2 10 5 15 10 53 8 3 1 3 2 2 0 3 4 7 38 5 7 2 2 2 3 2 1 2 3 2 3 6 19 12 23 58 13 39 16 16 9 43 26 7 16 5 31 10 5 2 6 16 100 0 6 7 3 1 2 9 76 11 2 2 3 2 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 1 4 3 6 2 3 7 7 4 8 29 31 34 30 10 4 3 4 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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; 1HNMR: 85 84 d 1H J 48 | 71 71 m 1H | 33 32 m 1H | 22 21 m 2H | 20 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
ir: 5 7 21 22 6 7 5 6 7 18 11 15 6 5 7 3 2 3 3 3 3 6 2 10 17 6 3 5 3 4 4 4 3 2 2 7 2 3 2 2 3 3 6 3 2 3 3 3 3 5 7 7 4 10 33 10 13 6 5 2 3 4 3 2 6 11 45 29 4 4 3 10 24 10 27 21 8 6 6 9 11 24 22 9 5 7 4 3 2 3 4 5 10 8 7 5 5 6 7 3 3 4 8 3 4 3 4 7 5 11 37 9 10 6 9 7 4 7 24 21 10 7 5 8 6 9 28 13 13 13 6 14 40 23 5 3 3 3 3 3 25 7 6 19 7 5 35 27 17 14 7 3 12 7 6 3 42 0 3 5 3 2 2 3 2 2 3 8 3 2 2 3 3 2 3 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 4 4 3 4 4 6 5 6 7 6 6 9 14 24 19 41 50 100 22 75 31 12 3 4 4 3 2 2 3 3 3 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 d 1H J 166 | 73 72 m 2H | 72 71 dd 1H J 21 78 | 65 64 d 1H J 165 | 61 60 s 1H | 56 55 d 2H J 9 | 51 50 hept 1H J 61 | 42 41 q 2H J 62 | 14 13 d 6H J 60 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)COC(=O)c1ccccc1S
ir: 4 7 2 4 3 3 13 3 4 4 2 4 4 8 9 2 2 1 2 1 1 2 1 1 1 1 1 1 1 2 2 6 2 1 2 2 8 2 2 3 2 3 9 8 2 2 2 2 1 1 2 3 3 2 2 14 18 13 3 3 2 3 2 2 1 2 1 1 6 7 5 1 2 2 2 2 2 5 3 3 2 1 1 1 1 2 5 5 2 1 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 2 8 7 37 18 5 5 4 2 2 3 7 12 5 4 2 2 1 1 2 3 2 2 1 2 1 1 2 2 2 8 18 4 2 2 1 3 3 4 27 100 7 5 3 7 31 6 2 0 1 3 2 0 1 2 4 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 2 1 3 4 3 9 14 9 7 50 13 8 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 16 75 | 75 75 dd 1H J 14 67 | 74 73 td 1H J 15 74 | 73 72 td 1H J 16 71 | 61 60 s 1H | 44 43 dd 1H J 61 112 | 41 41 dd 1H J 62 113 | 17 16 dqt 1H J 15 65 80 | 16 14 m 2H | 14 12 m 7H | 9 8 ddt 6H J 15 58 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C(=O)O)nn1C
ir: 2 3 2 2 1 2 6 4 2 1 0 2 2 0 0 2 7 3 0 2 4 1 12 100 9 35 4 2 1 5 4 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 9 1 0 1 1 3 1 1 1 1 1 1 1 1 0 1 1 2 2 2 2 1 1 3 4 4 3 17 14 1 1 1 1 1 1 1 3 13 5 7 2 1 1 1 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 5 5 4 3 3 4 5 2 1 1 1 0 1 1 1 12 4 1 1 0 1 1 7 17 1 1 1 1 1 1 5 11 2 1 0 1 2 39 2 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 3 2 1 1 2 10 3 1 1 1 1 1 3 35 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 s 1H | 41 41 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC)c(Nc2ncnc3ccsc23)c1
ir: 0 1 1 1 0 2 1 1 1 2 1 3 1 3 1 1 1 1 2 1 1 1 1 2 1 1 2 8 9 7 5 2 1 1 1 1 3 7 5 41 33 5 29 18 2 2 1 1 1 1 0 0 1 2 4 2 1 1 1 1 0 2 1 1 3 2 4 5 4 3 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 3 1 2 2 1 6 1 1 0 3 11 1 1 1 0 0 1 1 1 1 1 3 1 0 3 12 2 1 0 0 0 1 1 1 1 4 2 2 0 2 0 0 0 1 3 2 2 17 4 1 1 1 5 6 1 1 0 1 1 0 2 12 2 4 5 30 5 4 4 13 100 12 0 0 0 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 2 10 17 9 4 6 1 1 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 9 16 31 13 2 6 9 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 85 85 s 1H | 76 76 d 1H J 53 | 74 74 d 1H J 55 | 69 68 d 1H J 83 | 67 67 m 1H | 67 67 s 1H | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC2(CCN(C(=O)Nc3cnc(-c4cccc(O)c4)cn3)CC2)c2ccccc21
ir: 5 4 5 11 8 7 10 24 15 10 9 10 13 7 8 4 7 6 3 8 16 9 3 5 8 3 3 8 8 8 14 6 5 7 11 8 12 11 6 4 16 100 87 43 13 6 4 29 7 3 3 10 5 0 3 10 6 4 8 7 3 1 4 8 3 2 4 18 14 9 31 5 4 3 8 26 8 13 12 8 9 7 15 18 76 15 6 9 3 3 6 7 12 22 5 7 2 3 6 6 5 3 7 5 2 3 5 6 3 13 8 8 6 11 11 6 4 12 13 8 25 9 13 11 5 7 10 6 9 6 6 4 4 4 10 7 3 14 31 7 2 4 23 21 3 6 6 5 7 36 47 15 72 5 7 12 9 7 5 10 3 5 4 25 3 5 3 1 3 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 4 2 2 4 3 2 3 4 4 2 2 4 3 1 3 6 5 4 3 9 6 3 4 6 4 2 4 6 13 7 18 47 34 10 7 8 4 2 8 49 19 7 4 4 3 2 3 4 4 3 7 5 8 5 8 14 28 22 34 11 4 3 4 4 3 3 4 3 2 2 4 3 2 2 3 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1; 1HNMR: 92 91 s 1H | 88 88 s 1H | 88 88 s 1H | 79 78 dd 1H J 15 70 | 76 76 ddd 1H J 12 21 84 | 76 75 m 2H | 74 73 m 3H | 72 72 s 1H | 69 69 ddd 1H J 11 21 82 | 39 38 ddd 2H J 43 70 132 | 36 35 ddd 2H J 42 70 132 | 27 26 ddd 2H J 43 70 137 | 24 23 ddd 2H J 43 71 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2)cn1
ir: 1 3 3 6 5 2 2 2 2 1 2 1 2 1 3 3 4 3 2 6 9 8 12 4 2 2 2 7 4 2 9 7 13 45 33 13 9 4 5 45 19 17 6 5 3 1 1 2 3 0 2 6 9 20 25 7 6 1 1 2 3 3 4 5 7 4 11 6 8 3 5 1 3 3 5 2 3 2 7 17 21 63 8 5 3 3 1 8 10 10 14 6 3 2 1 1 1 2 1 2 20 9 1 2 2 3 5 3 3 1 23 6 5 1 0 2 3 1 4 2 5 6 1 7 6 4 6 8 17 8 8 6 6 4 11 11 19 18 12 4 4 4 9 70 36 15 20 18 7 36 17 7 3 5 3 3 3 1 5 1 1 0 3 1 1 1 2 26 2 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 0 1 1 2 4 2 2 7 5 17 9 42 100 45 6 7 4 2 2 2 3 1 1 2 1 0 1 1 1 0 1 1 2 4 5 14 26 15 5 4 1 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 21 | 79 78 m 1H | 77 76 d 1H J 166 | 74 73 m 6H | 70 69 d 1H J 80 | 68 68 d 1H J 83 | 67 66 m 3H | 66 65 ddt 1H J 9 18 84 | 52 51 t 2H J 9 | 40 39 s 2H | 39 38 s 2H | 35 34 q 2H J 53 | 28 27 tt 2H J 9 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(S(C)(=O)=O)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
ir: 1 1 1 1 1 1 1 2 2 4 2 1 2 2 2 6 0 2 2 4 4 80 8 4 2 1 0 1 2 4 2 7 2 2 3 1 2 1 2 12 7 0 1 1 1 1 1 1 7 1 0 0 0 1 3 3 1 2 2 2 0 1 1 0 1 7 3 2 2 3 2 1 1 1 1 2 3 5 18 9 6 1 2 16 1 14 18 4 4 2 0 0 1 2 1 0 1 2 4 1 1 2 1 1 3 3 4 3 0 3 2 1 0 0 1 0 8 1 4 1 3 1 2 1 5 2 2 2 1 0 0 1 1 3 3 2 2 0 0 1 1 4 1 1 3 4 16 6 1 1 1 3 5 3 1 1 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 3 0 0 0 0 0 0 1 0 1 1 1 2 3 4 8 13 29 8 7 9 2 0 1 5 1 3 100 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 22 | 79 79 t 1H J 21 | 79 78 dt 1H J 19 71 | 78 77 dd 1H J 21 93 | 76 75 m 2H | 74 73 m 4H | 73 73 m 1H | 71 71 d 1H J 92 | 67 67 d 1H J 68 | 66 65 dq 1H J 9 71 | 51 51 t 2H J 9 | 32 31 s 2H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2ccc(C(N)=O)cc2[nH]1
ir: 8 7 4 3 3 1 2 3 1 2 5 2 2 4 15 22 34 67 41 3 6 7 2 1 0 2 3 1 1 2 12 11 2 3 8 15 19 7 22 20 13 2 1 2 2 1 1 2 3 4 2 1 1 1 3 5 3 1 1 1 1 2 1 1 1 1 1 2 9 6 2 2 5 5 4 3 1 1 1 1 1 1 7 1 1 1 1 0 1 1 1 1 1 1 0 1 2 3 1 1 4 23 38 2 2 5 0 1 2 1 1 2 11 6 4 3 15 9 4 1 1 1 0 2 7 5 2 9 4 8 1 1 1 0 0 1 2 4 32 26 10 2 4 21 14 8 3 3 3 1 6 21 3 3 2 4 13 4 28 9 9 2 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 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 0 1 1 1 1 2 2 1 1 1 2 1 2 5 4 6 13 21 16 7 1 1 1 1 0 1 1 1 1 1 1 0 0 10 25 2 2 2 2 2 2 12 11 6 5 7 64 100 6 1 0 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 99 98 s 1H | 83 82 dd 1H J 21 81 | 79 79 dd 1H J 20 81 | 78 77 d 1H J 24 | 73 73 m 3H | 44 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=O)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1
ir: 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 3 3 6 3 3 2 2 5 3 3 2 2 1 2 2 2 1 1 4 5 2 2 3 2 0 2 7 29 68 32 0 16 11 5 3 3 3 2 1 2 6 3 3 4 3 3 3 4 4 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 3 3 2 2 3 2 2 2 2 2 3 3 4 11 2 2 2 2 3 2 2 3 3 2 3 2 2 3 2 2 2 2 2 3 7 5 3 2 2 2 3 3 2 2 2 2 2 1 2 2 5 11 4 4 23 4 3 2 6 2 3 3 9 44 6 4 5 3 3 3 37 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 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 5 4 6 22 4 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 3 3 3 4 6 2 6 47 100 22 5 3 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H | 94 94 s 1H | 92 92 s 1H | 75 75 t 1H J 23 | 74 73 t 1H J 21 | 68 68 t 1H J 21 | 31 30 p 1H J 67 | 24 23 s 3H | 12 11 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCn1nc(C)c2c(O)cc(CN(C(=O)OC(C)(C)C)C3CC3)cc21
ir: 0 2 6 5 1 1 1 2 1 2 5 8 1 2 0 2 7 5 3 2 1 0 1 0 1 1 1 1 1 1 2 1 1 1 1 3 3 1 3 4 2 1 1 2 2 0 0 0 1 0 0 1 0 1 1 0 1 1 0 0 0 1 3 2 1 1 2 6 18 4 1 1 1 1 2 1 0 1 0 0 2 5 13 8 3 1 2 1 2 0 1 1 2 6 3 1 1 1 2 0 0 1 3 1 1 1 1 0 1 1 2 1 1 2 4 1 0 1 4 4 5 3 2 10 3 2 3 3 6 12 2 2 5 3 1 1 1 1 7 2 0 1 0 0 1 2 3 3 1 3 5 5 11 1 0 1 0 5 1 0 0 2 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 4 2 4 10 6 10 6 6 4 2 1 1 3 7 100 10 1 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 70 70 dt 1H J 9 20 | 67 67 dt 1H J 9 20 | 44 44 d 2H J 9 | 42 41 t 2H J 57 | 35 34 t 2H J 62 | 33 33 s 3H | 32 32 p 1H J 59 | 26 26 s 3H | 21 20 p 2H J 59 | 15 14 s 8H | 9 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cnc2c(c1)CC1(CN3CCC1CC3)O2
ir: 1 2 5 7 9 11 8 2 2 2 3 1 1 3 3 1 0 5 2 3 2 3 4 1 2 3 5 1 13 18 37 96 39 3 6 18 36 100 56 15 5 2 3 3 3 2 22 18 24 33 9 4 3 9 4 6 4 3 3 1 6 3 5 2 1 3 6 20 19 8 9 5 23 3 2 2 2 3 8 18 15 43 11 12 20 15 39 21 4 6 4 5 3 3 2 2 11 7 17 7 5 6 6 10 7 5 4 3 13 15 19 6 8 15 6 8 6 4 2 6 18 7 6 16 20 32 14 11 9 5 4 8 36 24 20 15 21 20 54 23 15 3 2 3 3 25 68 4 3 3 2 3 7 8 4 12 7 2 1 3 2 1 2 15 6 3 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 6 8 6 14 4 3 13 7 6 23 21 13 11 27 25 8 13 6 13 17 5 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 82 82 d 1H J 18 | 76 75 q 1H J 10 | 70 69 dd 1H J 114 167 | 57 57 dd 1H J 27 167 | 56 55 dd 1H J 27 113 | 34 33 m 2H | 31 30 m 2H | 29 28 ddd 2H J 44 70 115 | 28 27 m 2H | 21 21 p 1H J 46 | 20 19 ddt 2H J 44 70 125 | 17 16 ddt 2H J 45 70 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc(-c2cc(C)c(C=O)c(F)c2F)cc1
ir: 2 3 2 2 5 3 4 6 3 3 4 4 4 12 14 6 3 3 1 1 1 1 1 2 2 4 3 1 2 0 4 2 2 2 2 5 3 1 3 10 20 4 8 4 3 1 2 5 1 4 2 6 5 9 25 49 39 38 14 31 11 8 2 2 3 11 3 0 16 11 5 10 14 1 4 9 3 2 1 1 1 1 1 4 6 1 2 4 2 2 4 17 11 2 1 6 4 8 19 5 4 4 3 5 14 45 14 16 99 100 7 8 6 4 4 5 3 7 8 9 39 9 9 6 8 10 9 2 3 3 4 6 3 2 2 5 25 3 2 2 1 2 3 1 1 6 9 36 82 11 7 12 12 3 6 20 4 1 2 2 43 6 2 13 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 8 3 3 4 6 5 2 1 5 6 8 4 6 26 30 40 53 91 37 28 8 6 4 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 dq 2H J 17 86 | 74 74 d 1H J 45 | 72 72 dp 2H J 9 79 | 27 26 tt 2H J 8 76 | 25 25 s 3H | 15 14 m 2H | 14 13 m 4H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COC[C@](c2ccccc2F)(C(F)F)N1
ir: 2 8 7 3 2 3 15 8 0 6 12 14 9 4 4 4 1 4 6 2 1 7 5 3 3 10 8 5 9 11 46 19 18 38 61 22 12 14 45 72 24 14 35 33 6 4 6 11 6 4 8 9 5 5 4 3 6 5 4 2 4 17 4 3 2 4 5 2 4 3 2 2 10 8 9 15 14 8 2 2 3 5 7 4 16 23 3 3 3 4 2 2 6 8 4 2 3 2 1 2 3 3 2 3 3 4 1 5 5 3 0 3 6 4 11 9 9 10 8 10 15 16 1 4 6 6 3 12 9 3 0 4 12 34 21 9 23 59 2 5 5 2 3 9 6 2 1 8 9 12 12 25 42 60 100 15 4 5 4 2 5 3 3 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 3 1 2 3 5 7 3 5 3 2 4 4 2 2 30 13 26 54 55 13 3 2 5 4 3 1 3 3 2 2 3 3 2 3 3 4 5 4 6 25 66 27 21 18 41 65 10 4 4 3 2 3 2 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 75 74 ddd 1H J 13 33 90 | 74 73 dddd 1H J 13 39 70 82 | 72 72 ddd 1H J 13 80 92 | 72 71 ddd 1H J 14 70 101 | 71 70 t 1H J 27 | 61 61 s 0H | 45 44 dtd 2H J 30 81 112 | 42 41 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
ir: 1 2 1 3 3 1 2 2 1 3 2 1 1 1 1 1 2 2 3 1 2 4 2 8 7 14 3 24 16 9 15 7 18 8 8 8 10 14 5 45 43 7 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 9 1 1 4 9 2 3 2 1 1 1 1 2 2 3 1 2 2 1 1 1 0 0 0 0 1 3 2 1 0 1 1 2 2 2 4 4 2 2 1 0 1 1 1 2 1 2 2 1 3 2 2 3 4 2 4 2 3 3 3 3 12 21 4 2 4 3 1 1 1 1 1 6 27 2 3 1 2 2 22 39 60 10 6 7 5 17 100 3 3 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 0 1 1 2 1 1 1 1 4 3 5 8 11 2 6 6 8 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 4 8 15 41 4 5 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 7H | 57 57 d 1H J 82 | 51 51 s 2H | 43 42 dt 1H J 67 82 | 40 38 m 2H | 37 37 s 2H | 17 15 m 2H | 14 13 m 1H | 9 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(C(=O)Cl)ccc1-c1ccccc1C
ir: 5 5 2 16 2 9 14 9 7 8 5 3 4 4 4 2 2 3 3 2 2 2 15 6 2 6 6 36 5 5 9 3 2 3 5 23 12 6 12 4 3 5 44 4 5 8 3 1 3 5 3 3 5 6 9 0 7 8 13 6 4 3 2 2 3 5 3 12 13 51 15 12 4 8 6 4 5 17 4 4 3 5 10 2 7 8 3 6 7 8 11 9 3 5 1 2 3 2 2 4 3 2 1 2 5 3 4 4 2 24 2 3 4 3 1 3 4 3 1 4 3 3 3 5 11 11 3 5 3 3 3 3 3 5 2 8 19 38 9 16 7 2 1 3 4 4 2 28 3 3 18 3 3 2 2 4 2 1 3 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 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 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 3 2 1 2 3 4 1 2 4 3 1 3 4 3 2 5 5 6 4 8 9 22 100 53 11 6 3 2 3 2 2 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 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 dt 1H J 9 19 | 80 79 dd 1H J 20 84 | 77 76 m 2H | 74 74 m 2H | 73 72 td 1H J 13 75 | 48 47 d 2H J 10 | 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.
Nc1ccc(C(=O)N2CCCC(=O)c3sccc32)cc1
ir: 10 17 11 13 9 8 11 8 7 3 2 6 8 5 2 4 5 3 2 3 5 4 3 5 4 2 5 5 4 3 3 5 4 5 3 7 6 7 10 6 5 8 8 12 23 14 29 10 4 4 5 7 4 3 5 32 13 0 4 7 5 2 3 5 3 1 10 5 3 2 4 5 2 1 3 4 2 9 6 8 4 3 5 5 3 3 3 3 3 3 4 3 3 2 5 4 1 3 4 3 1 2 3 3 2 4 9 9 3 3 4 7 6 7 3 4 4 7 9 7 6 6 6 9 3 4 4 4 4 4 6 10 11 20 12 5 3 6 8 3 2 4 4 3 8 6 6 4 7 4 9 9 13 9 13 27 100 34 8 4 4 4 7 32 7 5 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 3 3 6 4 3 4 5 5 2 3 9 9 3 19 30 52 9 7 10 6 3 3 4 2 2 3 3 2 2 3 4 5 63 55 18 3 2 3 3 2 2 5 6 6 41 68 17 6 5 4 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 4 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 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1; 1HNMR: 76 76 d 1H J 62 | 76 75 m 2H | 74 74 d 1H J 62 | 67 66 m 2H | 45 45 s 2H | 39 39 t 2H J 66 | 29 28 t 2H J 85 | 21 20 tt 2H J 66 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(Oc2ncc(-c3nsc(C(C)O)n3)s2)cc1
ir: 4 3 4 3 4 3 9 6 6 5 5 4 3 8 9 3 5 1 1 2 2 2 2 1 1 1 1 1 1 0 0 1 1 1 0 1 3 6 2 4 3 11 3 2 1 1 2 5 2 3 3 3 11 18 18 19 8 6 13 16 6 1 1 2 1 0 4 12 3 13 4 11 2 3 7 4 3 20 12 10 12 17 4 20 8 5 17 98 100 9 4 5 2 2 1 1 1 1 1 1 1 1 3 1 1 1 3 4 2 2 5 1 0 1 3 2 3 5 5 4 2 3 4 3 3 2 4 9 10 12 8 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 3 7 23 3 11 6 8 3 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 2 1 2 3 1 3 1 1 1 1 0 1 1 1 1 2 5 4 4 17 14 11 43 28 5 6 4 3 3 4 17 20 9 3 2 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 3 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 s 1H | 72 71 m 2H | 69 68 m 2H | 54 53 qd 1H J 50 64 | 47 46 p 1H J 57 | 40 40 d 1H J 51 | 17 16 d 3H J 62 | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC=CC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O
ir: 2 4 1 13 9 13 10 8 47 18 5 5 4 3 1 3 4 4 5 7 6 3 4 8 5 4 8 6 10 7 10 36 36 72 77 72 25 86 15 12 11 11 6 3 3 2 3 3 12 18 6 6 3 7 8 14 7 2 8 3 2 2 8 9 7 11 9 6 2 2 3 2 3 6 2 2 5 3 4 2 1 7 8 4 2 1 1 2 17 1 2 2 9 9 2 3 4 2 2 2 2 4 8 5 3 5 7 8 22 24 14 12 9 6 8 4 4 31 19 28 53 16 55 12 45 23 51 36 17 29 9 13 11 17 21 25 100 35 15 16 18 18 12 3 0 8 95 6 3 3 3 16 65 69 10 1 0 6 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 3 3 2 6 6 4 3 6 12 7 8 3 5 9 13 9 38 54 30 30 13 4 3 4 3 2 2 2 3 2 6 8 3 3 7 5 18 41 66 19 13 21 50 14 2 6 3 1 2 2 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 m 1H | 56 55 m 1H | 47 46 p 1H J 62 | 36 35 dtdt 1H J 9 19 57 77 | 29 28 ddd 1H J 8 57 139 | 26 25 ddd 1H J 8 57 140 | 21 19 m 4H | 18 17 dd 2H J 63 129 | 17 16 s 1H | 14 13 m 2H | 13 12 m 5H | 13 13 s 8H | 12 11 s 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN(S(C)(=O)=O)Cc2ccc(O)cc21
ir: 3 4 4 7 2 55 9 5 1 4 12 8 3 4 4 2 4 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 5 2 3 3 2 5 6 3 2 2 3 2 1 3 5 3 2 4 10 8 3 3 9 8 3 2 4 3 2 3 3 3 2 14 13 4 2 3 4 2 2 4 15 14 72 18 18 7 6 15 10 8 9 13 100 35 9 11 12 7 3 2 2 3 3 2 6 8 15 21 6 3 3 3 4 2 2 3 2 2 2 3 3 4 4 4 9 4 5 3 3 14 5 5 3 3 3 3 4 2 3 3 2 2 2 3 2 2 3 3 2 2 2 2 2 8 5 3 5 3 3 3 2 2 3 2 2 4 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 3 3 3 2 2 2 2 2 3 3 2 3 3 3 5 16 7 12 8 31 18 2 4 3 2 0 9 55 25 6 2 1 3 3 2 1 3 3 2 1 2 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 73 s 1H | 69 69 dt 1H J 9 84 | 68 68 d 1H J 22 | 66 66 dd 1H J 21 83 | 43 42 d 2H J 9 | 36 36 s 2H | 28 28 s 3H | 14 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)N1CCC(N2CCc3c(c(N)c(C(N)=O)n3-c3ccc(Oc4ccccc4)cc3)C2)C1
ir: 2 4 4 2 1 1 1 3 7 3 2 5 2 7 3 10 16 19 14 8 14 6 10 4 6 5 4 2 2 3 2 2 1 3 3 1 1 4 1 4 12 10 5 12 13 66 15 15 17 5 11 1 4 5 4 6 5 5 10 5 1 1 3 2 2 3 3 2 8 4 2 1 5 4 2 3 3 3 4 2 3 6 3 8 5 4 8 4 10 7 11 2 7 3 3 3 3 3 3 4 2 2 1 1 1 1 1 1 1 2 3 3 5 2 4 5 2 2 2 1 1 1 3 1 3 3 5 1 2 2 2 2 2 6 4 8 8 2 4 4 1 2 5 12 5 2 8 10 13 15 9 6 6 5 23 3 3 14 15 36 6 1 2 6 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 3 2 3 4 11 5 12 26 22 8 5 5 3 2 5 2 2 2 1 1 1 1 1 2 2 100 5 2 1 1 1 1 1 1 1 3 3 18 83 5 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 m 2H | 74 73 m 2H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 69 m 2H | 64 64 s 2H | 64 63 m 1H | 63 62 s 2H | 59 58 dd 1H J 23 169 | 58 57 dd 1H J 24 115 | 40 39 d 1H J 143 | 38 37 m 1H | 37 36 m 2H | 36 35 ddd 1H J 44 62 116 | 35 34 m 1H | 33 32 tt 1H J 37 44 | 31 31 ddd 1H J 38 56 112 | 29 29 ddd 1H J 37 58 114 | 28 27 m 2H | 21 20 m 1H | 18 17 ddt 1H J 43 61 109
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1OCC(C)O1
ir: 5 5 7 4 18 7 7 17 12 15 3 25 7 12 21 10 20 4 2 2 2 2 5 2 5 3 2 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 1 3 2 3 2 4 6 7 7 7 7 14 19 4 6 4 6 5 4 6 12 7 18 19 22 22 13 10 6 12 20 12 8 74 69 45 100 81 76 5 2 3 2 3 4 5 5 4 2 2 1 2 2 1 1 1 1 1 1 2 3 4 4 5 2 3 2 2 2 4 7 0 3 6 4 10 9 5 3 4 4 7 4 5 4 4 6 2 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 2 1 1 2 3 2 5 3 2 3 2 2 3 3 7 10 6 9 23 12 10 13 8 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 0 0 0 0 0 0 0 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: 51 50 t 1H J 17 | 41 40 dtd 1H J 25 53 77 | 38 38 dd 1H J 24 112 | 37 36 dd 1H J 17 120 | 36 35 dd 1H J 25 113 | 34 34 dd 1H J 18 121 | 34 34 s 3H | 13 12 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1nc(NCCCN2CCOCC2)nc2cc3c(cc21)CCO3
ir: 2 3 4 2 3 4 2 2 3 2 1 3 1 1 1 2 1 1 1 2 7 16 6 7 5 3 3 4 3 7 4 2 1 2 1 1 2 2 3 1 2 2 2 7 7 3 2 2 1 2 2 2 2 1 3 2 2 2 2 2 1 1 1 2 2 2 2 3 7 7 2 2 3 5 2 1 1 1 1 1 6 5 1 2 2 3 4 2 1 2 4 2 2 2 1 3 2 2 2 2 3 2 4 1 2 1 1 1 2 2 3 2 2 2 3 2 1 1 1 2 2 2 3 3 7 3 1 1 1 1 1 2 1 1 2 1 1 1 1 2 3 4 15 29 6 3 12 16 2 1 1 2 2 1 4 6 4 100 8 3 1 2 1 0 2 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 2 10 15 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 41 41 s 1H | 38 37 t 2H J 37 | 37 37 m 5H | 32 31 td 2H J 37 65 | 28 27 m 4H | 24 24 t 2H J 57 | 22 22 m 2H | 21 21 t 1H J 38 | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2ccc(S(C)(=O)=O)cc2C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1
ir: 3 6 4 5 2 4 3 4 4 13 5 4 4 3 3 3 5 5 6 4 3 3 2 7 4 2 2 3 3 2 4 4 5 4 2 3 9 11 7 7 8 3 3 16 4 4 2 3 3 3 2 3 5 6 14 9 6 7 6 4 3 4 6 5 3 0 9 11 11 5 4 2 4 6 3 2 2 3 2 2 3 4 4 8 15 13 5 26 8 4 4 4 4 4 5 6 11 16 7 3 5 5 4 5 24 22 12 6 2 2 2 3 8 7 3 4 4 4 5 8 10 8 8 7 9 19 7 6 6 4 5 3 2 2 3 4 3 3 2 3 3 3 5 14 5 9 8 13 6 18 7 3 3 5 3 2 4 2 2 2 3 2 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 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 3 3 3 2 2 3 3 3 2 3 2 3 2 15 13 14 18 20 100 15 9 12 23 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 m 2H | 80 79 dd 1H J 22 92 | 77 77 d 1H J 9 | 76 76 d 1H J 9 | 76 75 dd 1H J 22 88 | 73 73 dd 1H J 21 121 | 70 69 dd 1H J 48 88 | 37 36 m 4H | 34 33 m 4H | 32 32 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc2[nH]ccc2c1
ir: 6 5 1 9 10 3 2 2 2 3 2 3 4 4 3 3 3 6 5 13 22 41 66 25 4 5 3 2 2 3 3 3 3 2 2 2 2 3 3 3 4 3 2 2 2 2 3 7 5 7 6 16 16 21 22 14 3 2 2 3 4 8 11 5 4 5 10 14 15 4 2 3 2 2 2 2 1 2 14 22 2 2 2 2 2 2 2 3 4 4 34 6 6 4 3 2 3 5 16 8 6 28 16 25 23 3 4 3 3 3 5 2 2 3 5 3 2 3 4 3 0 6 10 44 53 18 4 5 6 3 1 3 2 2 2 3 6 7 7 7 16 51 70 41 51 17 26 7 13 10 3 3 7 11 58 21 41 12 4 2 2 2 2 4 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 2 2 2 3 3 3 4 4 5 7 5 4 8 10 8 12 34 59 51 23 30 36 12 7 2 4 3 3 4 2 2 2 2 2 2 2 3 4 10 12 7 32 56 100 15 2 2 3 2 2 2 2 4 3 4 5 7 7 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 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 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1; 1HNMR: 83 83 d 1H J 66 | 75 75 t 1H J 23 | 73 73 d 1H J 76 | 72 72 dd 1H J 31 67 | 71 70 dd 1H J 25 74 | 65 65 dd 1H J 22 32 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1C(F)(F)F
ir: 2 2 2 2 4 2 3 2 1 1 4 4 12 5 1 1 1 3 1 1 1 1 1 0 2 9 3 3 2 2 4 2 6 4 3 3 6 5 4 3 2 7 3 1 1 1 1 1 1 2 3 2 3 5 14 17 10 6 2 1 1 1 0 1 0 1 9 15 3 2 1 1 0 2 2 1 1 1 1 0 1 0 1 0 0 1 3 6 1 1 2 5 7 2 1 1 1 2 13 100 4 2 1 4 17 5 3 2 2 5 1 0 1 1 0 1 1 1 0 1 3 2 3 3 1 2 3 3 2 1 0 1 1 0 0 1 1 0 0 1 2 6 9 5 11 5 27 24 13 5 12 8 5 2 3 7 6 1 1 1 1 1 1 9 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 8 14 29 13 6 5 3 2 1 1 1 1 1 1 1 2 1 0 1 1 2 1 1 5 2 4 33 23 8 3 1 2 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 83 83 dq 1H J 9 20 | 82 81 d 1H J 80 | 76 75 dd 1H J 22 81 | 75 75 m 2H | 74 73 dt 2H J 9 83 | 37 37 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2c(Cc3ccccc3C(F)(F)F)n[nH]c2c2cccnc2n1-c1cccc(C(F)(F)F)c1
ir: 1 1 2 1 1 1 2 2 3 1 2 1 2 2 3 2 7 2 2 2 1 1 2 1 1 1 1 1 1 2 2 8 2 2 3 1 1 4 9 4 32 6 6 10 1 2 8 12 3 4 15 9 28 4 6 1 2 2 2 1 1 2 2 1 2 3 8 13 3 1 2 0 1 2 2 1 3 2 1 3 4 2 1 1 1 2 1 3 2 2 2 4 2 9 7 2 5 3 3 16 15 11 2 3 3 6 2 3 11 4 2 3 43 2 1 1 1 7 1 3 6 4 3 3 1 3 1 2 15 3 2 2 1 31 5 3 4 10 17 3 6 6 1 5 2 8 2 1 2 7 4 5 14 5 3 2 2 6 100 5 3 3 26 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 2 2 2 1 1 2 2 1 5 8 8 29 19 10 5 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 9 8 8 6 4 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 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 22 46 | 86 86 t 1H J 22 | 83 82 dd 1H J 20 79 | 82 81 ddd 1H J 12 23 108 | 78 77 dd 1H J 69 106 | 76 76 m 2H | 74 73 m 2H | 73 72 m 2H | 42 42 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(Cc2c(-c3ccccc3)nn3ccccc23)n1
ir: 10 16 12 5 4 3 3 2 3 2 2 2 3 3 6 4 2 3 6 7 6 2 1 5 9 6 3 3 3 6 3 6 10 7 16 3 4 4 4 3 2 3 21 25 19 100 34 29 24 1 4 5 5 1 2 3 2 0 11 9 2 2 3 4 3 1 6 3 4 5 2 3 3 5 4 7 3 2 18 10 2 2 3 8 3 2 2 3 1 2 3 2 1 3 7 2 1 1 3 2 1 2 8 5 1 1 3 2 0 2 3 2 1 3 3 2 2 5 11 5 4 3 5 4 1 6 15 10 8 6 4 3 5 19 13 24 62 33 62 20 2 20 8 4 40 17 12 10 5 5 5 2 2 3 5 46 63 19 4 2 4 4 3 0 2 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 3 1 4 8 6 6 34 39 25 25 28 14 4 3 3 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 89 89 dd 1H J 16 70 | 80 80 dd 1H J 11 79 | 78 78 m 2H | 76 75 dtd 2H J 20 30 80 | 75 74 m 6H | 72 71 m 1H | 44 43 d 2H J 7 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc4ocnc4cc3C[C@H]21
ir: 2 7 18 11 5 2 5 8 12 5 8 3 5 10 1 11 71 8 2 2 3 3 7 3 2 2 2 3 3 10 3 3 4 3 3 3 14 6 29 24 5 6 6 3 8 2 2 8 15 1 3 4 5 1 18 17 4 2 2 2 4 4 4 3 2 1 10 8 3 7 41 13 5 3 2 3 4 6 15 3 22 1 3 3 3 2 3 3 2 54 8 4 1 2 4 4 6 11 11 17 4 13 5 3 4 4 42 24 2 15 5 4 5 4 10 3 2 3 10 3 3 6 8 26 6 4 6 41 5 3 4 3 3 3 4 5 4 8 7 11 38 6 6 3 8 2 3 64 12 9 11 2 16 4 15 2 2 3 2 1 2 3 3 0 10 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 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 4 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 1 2 3 3 2 6 4 5 5 6 4 4 5 4 4 7 6 16 29 20 11 8 10 3 2 3 4 2 2 2 3 2 1 2 2 2 2 2 3 2 2 3 10 3 100 10 11 2 2 3 2 2 2 2 3 3 2 3 2 2 2 2 2 1 2 2 2 2 2 3 2 1 2 3 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 3 3 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: 89 88 d 1H J 60 | 83 82 s 1H | 80 80 d 1H J 21 | 78 78 d 1H J 81 | 77 77 dd 1H J 22 81 | 76 76 q 1H J 7 | 74 73 d 1H J 60 | 71 71 d 1H J 8 | 42 42 dt 1H J 42 62 | 38 37 dtdd 1H J 7 18 41 60 | 37 36 m 1H | 36 35 m 1H | 32 31 dddd 1H J 8 18 42 136 | 28 28 ddd 1H J 7 61 135 | 23 22 m 1H | 20 19 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Cc2nc(CCc3ccccn3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
ir: 7 10 6 5 2 3 4 4 4 8 9 4 12 4 6 7 3 4 4 4 7 15 5 3 5 3 3 3 4 5 3 4 3 3 2 3 3 3 3 11 8 3 5 3 4 4 7 5 3 3 3 3 3 2 4 11 11 2 5 8 23 67 13 3 3 4 4 5 14 9 4 7 7 5 3 8 20 13 9 4 5 7 7 5 6 7 9 31 29 22 50 21 9 6 3 4 6 6 10 5 8 9 6 4 3 3 2 2 3 3 3 4 4 5 4 4 5 9 5 8 4 5 3 4 12 6 5 5 5 2 2 3 4 3 2 3 3 2 3 4 18 4 11 7 3 3 3 6 6 5 5 3 4 3 7 4 3 2 2 3 3 5 5 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 5 6 5 5 4 6 5 3 8 7 8 11 36 23 24 5 4 3 3 3 2 2 3 3 3 3 2 3 3 9 10 3 5 5 1 0 100 0 5 4 1 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 84 84 dd 1H J 17 41 | 80 79 dd 1H J 21 86 | 79 78 dd 1H J 47 86 | 78 78 dd 1H J 22 121 | 77 77 td 1H J 16 74 | 72 72 m 1H | 72 71 m 2H | 71 70 m 3H | 62 62 s 2H | 42 42 t 2H J 9 | 31 30 m 4H | 23 23 t 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCCCCCNc1cc(OC)c(F)c2c(C)ccnc12
ir: 3 3 2 3 2 2 3 2 7 3 4 2 7 8 8 7 13 13 36 8 29 19 16 40 18 9 20 31 8 8 25 19 2 7 10 8 15 18 12 5 6 4 6 6 7 4 3 2 1 4 2 2 4 4 8 4 7 3 4 1 6 5 10 8 9 37 30 13 20 11 14 7 7 20 30 3 2 1 1 3 2 4 8 6 6 3 10 8 6 3 3 1 3 5 8 7 10 6 2 5 2 3 2 9 5 2 3 4 1 24 34 21 7 5 7 8 19 17 22 23 4 38 7 10 5 11 1 8 3 4 5 4 4 3 7 7 3 16 45 10 3 2 0 6 12 7 14 10 23 16 20 1 3 0 1 3 24 100 17 2 2 2 1 1 2 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 4 2 1 4 3 2 2 2 2 1 4 2 9 12 16 2 9 49 24 13 3 1 1 2 1 1 2 2 1 0 1 3 2 1 3 2 1 2 6 9 5 54 93 54 25 13 12 6 3 3 1 0 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 49 | 72 71 dq 1H J 8 48 | 68 68 t 1H J 52 | 67 67 d 1H J 44 | 39 39 s 2H | 34 33 q 2H J 54 | 29 29 q 4H J 69 | 27 27 d 3H J 7 | 25 24 t 2H J 62 | 17 16 tt 2H J 53 73 | 15 14 m 2H | 14 12 m 4H | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)N(c1ccccc1)c1ncnc2[nH]c(-c3cccc(CCl)c3)cc12
ir: 1 2 1 2 2 1 2 2 2 2 1 2 2 3 6 3 18 6 3 4 2 1 1 1 1 1 7 3 2 7 9 14 13 83 9 6 4 2 3 29 58 43 27 37 5 19 4 9 4 4 2 1 2 1 2 0 1 2 1 0 2 6 2 0 1 5 1 8 10 12 7 2 4 12 3 4 6 3 7 7 10 2 2 13 10 6 3 7 5 5 3 9 7 2 5 2 3 5 36 13 5 1 2 4 8 4 4 3 2 2 2 2 1 4 2 5 2 1 4 6 6 2 2 3 3 2 3 2 9 7 4 10 10 8 5 28 8 2 11 19 12 16 13 19 24 9 12 26 6 3 2 4 9 15 28 100 27 10 23 12 3 25 5 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 3 2 1 4 12 8 7 21 93 52 18 21 7 4 2 1 2 2 2 1 1 1 1 1 0 1 0 1 1 1 2 2 1 7 16 9 7 9 2 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 80 80 s 1H | 76 76 tq 1H J 8 17 | 74 73 m 3H | 74 72 m 4H | 73 73 s 4H | 71 70 m 1H | 70 70 m 2H | 48 47 q 1H J 74 | 46 46 t 2H J 8 | 16 16 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C(C(=O)N(c2ccccc2)c2ccccc2)=CC=C(S(C)(=O)=O)C1=NO
ir: 22 16 30 9 10 21 4 40 21 6 5 3 6 4 4 4 4 4 2 3 4 3 2 2 4 1 4 5 7 4 11 9 14 19 43 35 8 10 7 6 24 61 30 3 18 8 8 4 1 4 2 1 0 2 2 0 2 6 1 2 8 2 2 2 13 16 8 3 5 10 5 2 10 21 5 2 24 16 15 10 5 4 6 29 10 11 13 7 2 2 0 0 4 4 3 4 3 14 8 88 17 9 20 8 3 13 17 5 3 1 6 8 7 3 4 10 2 2 6 6 6 7 4 2 1 2 2 2 14 4 3 8 3 8 3 15 3 1 1 1 1 2 4 14 22 14 20 98 11 4 4 6 8 2 1 2 2 1 1 2 7 2 4 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 1 1 1 3 1 1 1 1 1 1 2 2 1 2 3 4 8 7 20 26 100 24 17 6 4 1 1 1 3 3 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 18 88 | 77 76 dd 1H J 9 88 | 75 74 m 7H | 74 73 m 4H | 38 37 qdd 1H J 11 18 64 | 35 35 s 3H | 13 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)nc2cccc(OCC(C)(C)NC(=O)CC3CCOCC3)c2c1N
ir: 8 8 7 8 6 5 3 8 11 12 8 11 12 10 7 12 5 13 11 18 9 11 7 18 14 6 5 6 7 4 10 10 9 40 17 12 4 10 8 5 7 6 12 7 9 8 10 4 4 4 4 5 5 3 9 45 10 6 5 2 4 5 5 4 4 6 4 5 7 9 5 3 8 7 13 5 6 6 5 19 8 12 13 9 7 4 3 5 7 5 3 4 4 3 4 3 4 3 3 3 4 5 3 5 4 4 9 5 7 7 4 4 5 4 3 4 4 5 6 7 5 6 7 3 4 3 3 3 7 6 14 6 4 3 4 10 4 3 4 5 5 11 6 5 12 100 73 16 9 9 23 10 9 20 12 27 16 16 5 0 14 40 4 93 6 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 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 3 3 3 3 3 3 3 4 5 3 4 3 3 4 4 3 3 4 5 7 9 16 16 5 26 16 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 5 35 9 4 27 21 19 5 7 5 5 5 5 55 58 12 7 1 3 5 4 2 2 4 3 2 2 3 3 2 3 3 3 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 3 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 75 dd 1H J 13 75 | 74 73 dd 1H J 75 82 | 69 69 s 2H | 68 68 dd 1H J 11 84 | 66 65 s 1H | 43 42 q 2H J 64 | 41 41 s 2H | 37 37 ddd 2H J 33 60 110 | 35 34 ddd 2H J 32 59 110 | 27 27 s 2H | 24 23 d 2H J 64 | 21 20 hept 1H J 64 | 19 18 dtd 2H J 33 62 137 | 16 15 dtd 3H J 31 61 137 | 14 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(C(=O)OC2=CC(=O)CCC2)cc2ccc(C(F)(F)F)nc21
ir: 6 4 5 5 5 4 4 4 15 8 6 6 5 4 4 4 7 20 7 4 4 3 3 3 3 3 4 5 5 3 3 4 3 3 5 4 7 3 10 33 4 8 6 4 5 7 52 27 8 10 5 0 40 8 6 6 20 14 4 9 4 4 4 5 8 7 6 3 4 3 3 3 3 5 12 4 8 15 17 13 9 4 4 4 3 3 4 4 3 4 4 5 3 3 6 22 5 8 34 43 4 6 20 7 12 8 6 6 9 14 6 6 4 5 6 6 10 6 12 13 64 5 8 20 6 6 5 8 3 4 6 5 11 9 8 5 7 6 26 32 15 7 6 2 7 100 3 5 15 6 16 6 27 19 11 7 6 23 16 51 54 11 5 6 29 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 6 6 8 7 5 4 4 4 5 17 21 12 12 53 26 24 9 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 85 84 s 1H | 81 80 d 1H J 113 | 77 76 dq 1H J 21 114 | 59 59 p 1H J 9 | 37 36 s 2H | 29 28 m 2H | 25 24 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(NS(=O)(=O)c2ccc(O)c(F)c2)cc1
ir: 67 31 25 6 26 20 5 8 16 5 6 4 6 17 9 6 11 17 10 11 45 30 67 50 9 14 7 5 15 10 11 16 20 13 4 22 9 20 17 10 3 4 3 3 4 6 3 3 3 1 3 7 3 1 8 46 14 47 43 3 5 2 3 6 12 14 4 1 8 2 7 2 1 2 6 13 3 24 47 18 10 4 67 17 15 28 83 17 13 7 4 33 9 7 13 40 6 5 4 36 35 39 9 6 2 1 0 1 1 1 1 2 1 2 6 48 18 13 7 4 3 3 11 47 20 3 1 5 13 7 1 3 2 1 0 1 1 1 1 2 3 17 26 48 6 3 2 3 4 12 20 9 15 7 10 4 2 1 1 2 2 0 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 3 4 15 40 81 17 7 5 3 4 5 4 100 36 26 3 0 2 1 1 1 2 1 1 1 2 1 1 1 7 22 92 58 11 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H | 77 76 dd 1H J 22 121 | 76 75 dd 1H J 22 108 | 75 74 s 1H | 73 72 m 2H | 70 70 dd 1H J 47 107 | 60 59 d 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)Cn1ccc(-c2c(C#N)c(N)nc(SCc3csc(-c4ccc(Cl)cc4)n3)c2C#N)n1
ir: 5 11 15 5 6 12 6 4 5 5 15 17 6 6 4 4 2 3 3 2 2 5 3 8 6 4 2 2 4 5 4 9 3 3 4 5 2 10 5 3 6 3 3 4 5 9 7 28 48 16 8 2 5 7 14 47 7 4 3 10 11 8 5 65 8 5 8 3 3 21 14 7 5 6 3 3 2 7 10 20 8 5 5 5 4 7 14 17 100 77 21 18 11 16 7 17 18 13 4 2 3 4 7 8 8 8 12 4 6 11 9 7 13 5 1 4 6 9 5 8 10 13 3 4 5 6 17 5 3 2 5 2 9 12 5 8 19 7 4 6 2 2 2 3 3 5 14 25 7 21 10 15 18 10 22 59 19 4 3 2 1 2 4 33 2 2 2 4 11 26 14 4 2 1 2 3 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 1 2 1 1 1 2 2 1 5 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 0 2 2 1 1 2 3 2 2 5 7 3 3 5 7 14 9 10 6 5 6 8 7 19 71 43 39 86 42 13 23 13 6 5 3 19 3 3 2 1 1 1 1 1 2 13 13 1 2 2 1 2 3 2 1 1 2 3 63 23 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 76 75 m 2H | 74 74 dt 1H J 9 37 | 71 71 d 1H J 9 | 67 66 d 1H J 37 | 45 45 d 2H J 7 | 43 42 ddd 1H J 9 43 125 | 41 40 dddd 1H J 25 54 66 110 | 40 39 ddd 1H J 7 42 123 | 30 30 s 2H | 30 29 d 1H J 55 | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12
ir: 10 9 13 7 8 5 7 18 8 6 9 7 6 14 8 10 17 18 6 14 15 23 8 8 12 10 4 4 7 10 19 8 3 3 2 3 2 3 2 1 2 1 2 3 21 4 4 2 19 96 53 10 8 11 47 25 4 3 2 3 4 3 3 8 4 20 18 15 7 5 2 1 2 2 2 2 3 5 6 17 2 9 10 6 52 32 5 3 49 5 2 2 12 3 19 5 3 4 4 8 30 5 4 5 3 3 1 3 4 2 3 3 5 8 9 7 4 3 91 2 5 7 23 7 6 14 35 18 14 3 7 3 3 15 10 7 100 21 6 6 4 3 3 46 7 4 2 2 5 4 9 12 4 2 1 1 2 2 2 2 50 5 3 13 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 3 6 44 44 19 3 3 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 3 2 3 7 21 53 42 66 28 6 11 4 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 21 | 82 81 dd 1H J 22 86 | 80 80 d 1H J 86 | 76 75 d 1H J 24 | 73 73 dd 1H J 26 86 | 70 70 m 2H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(C(N)=O)cc(C(F)(F)F)c1
ir: 4 2 3 1 0 1 2 2 1 2 3 2 1 4 9 11 11 3 1 3 34 22 5 2 1 4 3 1 0 2 2 0 2 5 3 1 6 30 54 40 5 3 3 3 3 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 9 3 3 1 1 2 3 8 1 2 3 2 1 2 1 1 1 1 1 1 2 3 2 2 3 4 2 1 1 1 1 5 15 7 2 0 1 1 1 0 1 1 1 1 2 11 44 8 5 4 5 1 3 4 1 4 2 1 2 3 5 8 5 3 3 2 1 1 1 1 1 0 1 1 1 1 1 1 31 1 3 2 0 1 3 7 12 4 4 4 53 100 5 5 1 4 4 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 2 3 2 2 2 4 3 3 2 5 11 20 16 5 1 1 1 2 1 0 1 1 1 1 1 1 1 0 9 6 1 1 1 1 1 1 2 1 1 1 2 9 25 4 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 t 1H J 22 | 77 76 dt 2H J 22 128 | 75 75 s 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Oc1cccc(Cl)c1)C(=O)NCc1ccccn1
ir: 1 6 1 11 18 5 0 3 3 3 7 5 3 2 1 1 1 2 1 7 11 6 7 7 2 5 8 13 8 19 47 21 9 33 26 9 3 19 100 44 17 14 18 11 12 26 35 64 32 8 6 11 5 20 42 19 17 1 5 5 2 5 27 14 14 11 12 22 8 16 12 8 1 12 5 4 4 13 6 14 17 10 4 3 2 1 1 4 13 33 2 1 1 1 5 8 6 3 2 1 1 1 2 1 2 3 2 2 5 6 13 3 3 1 2 2 3 5 19 6 6 7 28 15 11 5 2 3 3 1 2 3 24 22 30 28 18 8 4 12 28 19 13 17 38 31 41 21 11 6 6 16 5 4 14 42 61 70 6 4 18 3 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 2 2 3 3 2 5 2 3 1 2 2 11 4 9 15 10 28 80 78 21 13 7 3 7 3 1 2 2 1 2 1 1 1 2 3 2 3 9 4 10 24 63 76 55 18 5 2 2 2 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 17 41 | 77 76 td 1H J 16 74 | 73 73 t 1H J 55 | 72 72 ddd 1H J 13 40 73 | 72 71 m 2H | 71 70 ddd 1H J 12 22 78 | 70 69 t 1H J 22 | 69 69 ddd 1H J 13 22 84 | 48 47 tq 1H J 16 50 | 45 44 m 2H | 20 18 dqd 1H J 49 77 139 | 17 16 dqd 1H J 50 77 139 | 11 11 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2CC2CCCCN12
ir: 2 1 0 2 2 1 0 1 2 6 1 1 2 1 1 1 1 1 0 1 1 1 0 2 2 0 3 9 6 8 6 3 6 3 3 2 1 1 6 100 16 1 2 3 2 1 2 2 1 1 1 2 2 3 1 2 2 0 1 2 1 2 1 1 1 0 2 3 2 1 2 2 1 1 2 2 1 0 1 1 1 1 4 1 0 1 2 1 1 3 6 2 0 1 2 1 0 1 2 2 2 5 2 1 1 1 2 1 2 4 2 2 1 2 3 3 2 5 2 4 5 5 2 2 4 3 4 1 1 2 3 2 1 2 9 13 5 2 2 3 8 7 2 1 1 2 1 7 8 2 1 0 1 5 3 14 4 2 1 1 2 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 1 2 2 1 1 1 4 5 1 2 10 18 5 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 m 2H | 74 73 ddt 1H J 9 20 82 | 73 73 ddd 1H J 18 71 82 | 40 39 m 1H | 38 37 ddd 1H J 35 61 121 | 35 34 ddd 1H J 35 61 120 | 32 31 ddd 1H J 9 62 141 | 29 28 ddd 1H J 8 63 141 | 21 20 ddt 1H J 54 79 126 | 18 16 m 4H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N(C)Cc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
ir: 10 11 10 22 19 20 84 32 21 25 31 17 15 18 18 23 15 12 8 9 9 10 12 10 9 9 10 10 9 10 12 9 10 11 10 9 8 8 8 8 9 8 8 10 10 16 28 23 12 19 22 18 23 15 13 13 12 10 11 11 9 8 9 9 9 10 10 17 13 12 49 11 13 16 38 20 25 9 11 11 11 9 9 9 10 8 8 12 11 12 12 15 16 19 23 12 10 12 9 8 8 9 11 20 17 14 10 9 9 9 9 10 8 11 9 9 12 10 13 15 13 16 38 22 9 12 13 15 14 12 21 15 10 31 16 11 12 14 12 18 8 10 12 14 9 10 11 8 10 29 29 24 15 22 11 0 100 6 19 36 26 19 10 11 9 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 11 10 9 9 9 10 10 14 20 14 13 16 25 48 38 14 10 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 85 85 dt 2H J 9 51 | 74 73 dtt 1H J 9 47 79 | 69 68 m 2H | 62 62 q 1H J 13 | 53 53 dd 2H J 8 36 | 53 52 d 2H J 7 | 46 45 d 2H J 9 | 37 37 s 3H | 31 30 s 3H | 24 23 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1CCC(CC2CCCC3c4ccccc4N(C(=O)O)C23)CC1
ir: 1 2 3 1 1 1 1 1 1 1 1 1 2 4 2 1 1 1 0 1 1 1 1 5 24 6 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 1 13 5 1 1 1 1 2 1 1 7 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 1 1 2 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 3 1 1 0 1 1 1 0 1 1 3 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 1 1 1 0 1 2 3 100 4 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1; 1HNMR: 84 83 dd 1H J 14 83 | 73 73 m 2H | 71 70 m 1H | 46 46 t 1H J 71 | 32 31 m 1H | 28 27 ddd 2H J 58 84 120 | 27 26 ddd 2H J 58 85 120 | 24 24 t 2H J 65 | 23 22 dddd 1H J 51 64 90 132 | 21 20 qt 1H J 64 75 | 19 18 m 2H | 18 18 m 1H | 18 16 m 1H | 17 14 m 11H | 14 13 m 2H | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)O)cn1
ir: 1 1 2 2 1 2 1 1 1 2 2 4 2 2 2 4 3 6 2 3 8 11 100 9 8 2 2 1 4 2 1 1 2 1 5 24 1 4 7 0 0 1 1 1 1 1 2 35 9 3 1 0 4 4 29 3 3 1 1 0 0 1 1 2 1 1 2 5 5 3 11 2 2 2 1 3 4 8 2 49 11 5 2 0 1 1 0 1 2 4 5 2 1 0 1 1 0 1 1 0 1 1 1 0 1 1 0 1 1 3 9 1 1 1 1 10 1 1 3 1 1 1 2 2 5 3 3 1 1 0 1 1 3 10 1 2 2 40 3 3 17 2 3 12 3 3 2 0 21 1 1 9 2 4 17 13 2 1 0 1 1 19 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 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 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 1 0 0 0 1 0 0 0 1 2 0 0 1 1 0 1 1 1 1 1 1 1 5 3 3 6 30 18 5 2 2 1 1 1 1 36 5 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 19 | 81 80 dd 1H J 19 81 | 76 74 m 3H | 72 71 dddd 1H J 15 22 75 99 | 69 69 d 1H J 81 | 55 55 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(CS)C(=O)O
ir: 1 1 1 1 0 3 3 4 12 8 9 4 10 10 7 3 2 8 11 21 51 62 50 15 10 5 5 2 1 1 1 1 1 1 1 2 1 2 3 2 2 1 1 2 3 2 4 7 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 3 3 3 7 29 100 8 7 3 2 4 3 4 3 1 2 1 0 1 2 3 3 3 1 1 1 2 1 1 1 2 1 7 7 3 2 1 2 9 4 1 2 1 1 3 4 1 5 6 3 2 3 1 1 3 3 3 4 3 1 0 1 1 0 1 1 5 1 13 65 21 3 4 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 2 3 0 2 1 1 2 1 5 5 1 0 0 0 0 0 0 0 0 0 1 21 27 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 31 30 tt 1H J 62 86 | 30 29 ddd 1H J 61 69 121 | 28 27 m 1H | 27 26 ddd 1H J 61 69 121 | 25 24 dd 1H J 85 163 | 17 16 t 1H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(=O)n(-c3cnc4c(c3)OCC(N)C4)c2n1
ir: 4 1 1 1 3 3 0 1 6 16 19 3 4 2 5 4 1 4 1 12 3 16 10 3 1 2 6 3 1 1 2 5 3 2 8 10 4 2 1 5 1 1 4 3 52 8 13 5 3 3 2 7 10 2 25 24 4 12 3 4 4 12 100 13 20 17 27 13 9 5 2 2 5 6 8 31 5 2 4 2 3 5 23 4 2 1 1 6 3 4 3 2 6 28 7 4 3 3 11 1 1 0 0 1 1 1 1 1 3 4 4 2 11 3 1 2 0 12 12 4 4 2 8 11 6 5 11 7 3 11 5 6 19 56 65 40 25 9 7 12 41 21 4 3 2 1 3 8 2 2 16 31 1 2 5 1 3 1 1 32 0 15 3 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 1 1 2 1 2 1 1 2 2 3 2 3 4 8 3 4 29 23 3 2 4 2 1 1 2 1 1 5 21 12 8 22 41 16 5 1 1 2 30 32 3 4 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 d 1H J 16 | 82 82 d 1H J 16 | 82 81 s 1H | 74 74 d 1H J 81 | 68 67 d 1H J 81 | 44 43 dd 1H J 38 123 | 41 40 dd 1H J 38 123 | 40 39 s 2H | 35 34 m 1H | 31 31 dd 1H J 54 169 | 29 28 dd 1H J 55 170 | 21 21 d 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(S)cc(S)c1
ir: 3 3 4 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 2 3 3 4 6 3 2 2 2 2 2 3 2 2 2 2 5 19 3 9 3 3 4 3 3 3 2 3 4 7 3 3 2 3 3 9 3 2 1 8 0 25 7 5 2 3 3 3 2 3 3 3 3 3 4 7 8 19 26 61 17 11 6 8 8 6 4 3 3 3 3 3 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 6 4 4 6 11 3 4 3 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 6 8 3 4 2 2 3 3 3 3 3 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 3 3 3 2 3 6 5 9 3 3 3 4 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 5 7 4 5 4 5 4 11 13 13 6 5 3 5 9 25 100 42 4 4 4 3 2 3 3 2 2 3 3 3 3 4 6 4 3 3 3 3 3 3 3 2 3 3 2 2 2 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; 1HNMR: 72 71 t 1H J 21 | 71 70 dt 2H J 9 19 | 46 45 dt 2H J 8 55 | 34 34 s 2H | 29 28 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2ccc(F)cc2c(C#N)c1-c1ccccn1
ir: 3 3 3 3 5 8 9 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 10 5 3 2 6 3 2 2 3 3 5 5 4 4 3 2 9 9 8 2 2 2 2 2 2 2 2 2 3 4 5 6 15 6 17 30 10 1 4 5 2 3 5 4 4 2 9 8 5 3 2 2 2 2 8 3 3 3 2 2 4 3 2 2 2 3 2 2 2 6 2 2 2 2 3 6 2 2 6 2 3 4 2 2 1 2 2 3 3 4 3 2 3 4 3 2 2 2 4 2 3 3 3 3 3 2 2 2 2 2 4 16 9 6 7 2 2 2 2 2 1 12 16 5 5 4 6 21 35 2 6 25 5 5 23 100 41 0 2 3 2 2 2 3 4 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 3 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 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 3 3 2 2 3 2 2 7 7 2 18 55 13 11 5 2 3 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 88 87 dd 1H J 16 40 | 82 81 dd 1H J 25 121 | 80 79 dd 1H J 46 81 | 79 79 td 1H J 17 73 | 78 78 dd 1H J 14 73 | 75 74 ddd 1H J 15 40 71 | 74 73 m 1H | 29 28 q 2H J 72 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=NC(=O)c1ccccc1C(F)(F)F)c1c(F)cccc1Cl
ir: 6 4 8 3 2 4 4 5 2 2 4 5 3 6 11 3 2 5 5 4 3 3 4 2 7 4 6 7 16 10 8 5 11 3 4 1 3 4 3 3 5 9 6 28 4 7 15 100 13 3 3 2 3 3 2 1 2 3 2 1 2 2 2 2 3 9 2 2 2 3 4 2 7 6 7 7 3 6 2 2 2 4 6 2 5 3 1 1 3 2 1 7 3 3 1 0 5 11 0 59 24 4 6 3 4 4 13 17 17 24 13 7 7 11 20 13 5 2 7 4 12 6 7 6 4 2 2 3 6 3 6 14 15 3 4 11 18 12 21 12 10 33 12 34 22 41 37 13 5 5 6 8 4 2 2 5 15 3 3 3 3 6 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 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 3 2 1 2 2 2 3 2 2 1 2 3 5 4 11 7 24 69 43 7 4 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 dd 1H J 15 64 | 79 79 dp 1H J 13 106 | 78 77 ddd 1H J 16 68 106 | 76 75 td 1H J 13 66 | 74 74 td 1H J 51 79 | 74 73 dd 1H J 14 77 | 72 72 ddd 1H J 14 80 102 | 44 43 q 2H J 60 | 14 13 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(C(=O)c2cc(-c3cc(Br)cc(OC(F)(F)F)c3)n(-c3ccccn3)n2)CN1
ir: 2 1 2 11 4 7 11 3 1 4 2 2 6 2 2 7 13 19 6 7 30 32 7 4 1 4 3 4 1 2 1 1 8 12 3 3 8 2 1 2 2 3 51 4 4 0 8 3 2 2 1 1 1 4 11 2 2 2 1 3 12 3 1 1 5 3 10 13 8 5 8 2 2 2 2 7 5 3 2 8 2 4 3 1 1 1 0 0 2 10 4 3 3 2 1 9 22 11 7 15 15 8 5 3 1 1 1 2 3 1 13 3 2 2 1 15 3 5 6 2 1 2 8 7 9 10 18 9 12 20 15 7 3 2 6 3 7 5 1 6 3 1 0 2 5 1 1 2 13 2 4 10 15 52 100 4 30 8 41 7 2 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 0 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 1 1 1 0 1 0 0 0 1 1 0 1 1 2 3 3 2 2 1 1 1 5 3 11 15 16 27 36 13 16 3 3 2 1 2 2 2 1 0 1 1 1 0 2 1 0 0 2 2 25 24 5 6 3 1 2 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 87 86 dd 1H J 17 33 | 85 84 dd 1H J 14 71 | 82 81 td 1H J 18 70 | 77 76 ddd 1H J 13 33 66 | 76 75 m 2H | 74 74 t 1H J 22 | 74 74 s 1H | 73 73 t 1H J 21 | 49 49 d 2H J 14 | 41 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(C#N)cc1
ir: 2 3 6 11 13 10 5 8 8 8 10 4 1 2 2 2 2 3 3 5 16 7 3 1 2 5 6 11 2 2 2 5 8 6 1 3 4 5 2 1 7 10 2 0 1 2 1 0 1 2 2 0 3 4 28 40 13 10 8 2 2 4 2 4 2 5 4 3 6 7 4 7 3 2 3 1 1 1 1 1 1 1 0 1 1 2 2 2 2 4 4 3 13 8 2 2 4 3 1 2 2 1 4 2 1 2 1 2 1 1 1 1 1 2 7 4 5 18 13 6 9 3 2 9 12 9 21 13 5 10 5 6 5 1 2 1 1 1 3 7 100 12 4 39 22 16 16 16 13 4 9 11 7 4 2 3 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 3 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 3 4 2 2 1 0 1 2 2 1 3 6 5 13 17 29 81 60 53 21 8 5 4 2 2 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 79 79 m 2H | 77 77 m 2H | 76 76 m 2H | 76 75 d 1H J 80 | 24 24 s 3H | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(F)cc2c(c1I)OCC2=O
ir: 6 6 8 6 6 6 8 6 6 8 12 13 6 9 39 7 12 8 7 16 21 8 7 6 6 7 7 8 16 19 18 8 18 22 8 7 7 6 8 16 54 14 9 6 7 7 9 6 6 7 7 5 18 8 6 6 7 7 6 6 20 8 22 6 16 8 10 32 41 12 7 10 8 13 11 6 6 6 7 23 8 7 6 6 6 9 6 9 7 6 6 6 6 6 6 6 6 6 6 6 7 15 6 11 23 7 6 6 6 6 6 6 9 66 12 7 7 7 11 7 6 7 8 9 18 9 8 8 6 25 36 8 7 64 10 7 7 6 6 7 7 6 8 17 46 11 7 5 5 8 7 0 100 19 6 9 7 4 6 25 7 4 6 8 6 5 6 7 6 5 6 7 6 5 6 7 7 5 6 8 7 5 6 7 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 7 10 20 9 7 7 6 7 7 8 18 83 11 7 20 69 31 9 9 7 7 6 5 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6; 1HNMR: 74 73 d 1H J 121 | 51 50 s 2H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2c(c1)CCN(C(=O)c1ccccc1)C2)N1CCN(C2CCC2)CC1
ir: 1 4 5 4 3 2 4 3 2 3 2 1 1 1 1 0 0 2 1 1 2 3 2 2 1 1 3 4 1 4 4 6 5 8 11 23 10 4 6 47 15 5 10 17 2 8 2 2 3 5 5 2 1 3 2 1 21 8 2 2 1 2 3 15 5 1 3 2 9 16 5 3 1 1 0 9 2 3 1 1 1 12 6 1 2 7 3 6 3 2 1 5 4 10 8 3 4 5 3 2 3 4 5 7 4 4 1 1 2 1 1 1 3 5 7 5 3 6 22 23 19 16 12 18 13 5 3 2 2 2 3 3 3 7 13 33 12 8 4 1 4 5 7 26 5 6 22 65 13 3 2 2 5 2 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 4 1 2 4 5 1 2 4 3 5 10 5 32 100 29 3 4 0 2 2 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dt 1H J 9 18 | 77 76 dd 1H J 19 89 | 76 76 m 2H | 75 74 m 3H | 73 73 dt 1H J 9 89 | 47 46 d 2H J 10 | 38 38 m 2H | 37 37 ddd 2H J 45 55 114 | 34 34 ddd 2H J 45 55 115 | 30 29 m 2H | 29 28 m 5H | 18 17 dddd 4H J 21 43 75 86 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnn(-c2nc(F)c(C(F)(F)F)cc2Cl)c1N
ir: 5 3 3 3 2 7 30 4 26 24 5 7 26 43 14 14 10 4 4 5 1 3 1 2 1 1 3 2 2 1 2 1 4 5 9 17 27 7 3 3 4 4 5 11 22 2 3 3 3 2 3 2 2 2 1 1 2 2 1 1 1 1 1 4 3 4 9 8 2 1 2 2 1 2 4 12 2 0 1 1 1 0 1 1 1 1 1 1 10 10 1 1 4 31 10 8 2 2 0 25 14 3 2 0 0 0 2 2 0 16 1 0 0 0 1 0 0 1 2 1 1 0 1 0 1 1 1 15 8 3 2 0 0 1 1 1 9 10 23 12 2 2 1 7 8 2 5 36 30 39 2 1 1 1 1 1 4 72 18 5 4 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 6 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 15 12 4 3 1 1 0 0 0 1 1 0 0 1 1 1 0 1 7 40 5 0 0 1 1 0 1 1 2 4 70 100 7 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 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; 1HNMR: 87 87 dq 1H J 20 42 | 83 82 s 1H | 53 53 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(-c2ccnn2-c2cc(C#N)ccn2)cc1
ir: 3 8 30 17 10 3 3 9 8 1 3 9 22 12 11 14 6 2 2 3 8 13 1 3 3 1 0 2 3 2 1 8 12 13 3 8 25 9 12 5 36 8 2 1 2 2 4 8 6 2 1 3 10 9 4 21 17 11 3 3 6 6 4 8 12 20 11 11 58 28 5 5 5 3 7 6 1 0 3 3 2 4 15 14 60 23 36 19 54 6 4 11 16 17 5 4 5 6 7 7 5 2 4 3 6 20 16 11 5 7 4 2 2 1 5 3 0 4 6 12 5 16 39 32 39 6 2 4 6 11 16 5 2 2 3 1 1 2 3 2 5 5 3 6 2 96 28 47 31 8 5 3 21 8 22 5 3 2 10 32 4 6 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 0 1 2 2 1 1 3 2 0 1 2 2 3 7 4 2 1 4 3 3 1 2 4 3 1 13 27 10 19 51 100 69 71 13 12 4 2 3 4 3 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 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 85 85 d 1H J 37 | 85 84 d 1H J 22 | 80 79 m 2H | 78 78 m 3H | 76 76 dd 1H J 21 38 | 70 69 d 1H J 35 | 33 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1=Cc2cc(OCc3ccccc3)ccc2OC1
ir: 2 1 1 1 1 2 1 2 2 2 1 2 5 5 2 3 5 1 1 3 3 3 16 14 8 3 1 2 2 2 4 4 3 1 1 2 3 2 3 4 5 4 2 2 2 1 1 1 1 1 1 2 2 8 6 9 3 1 1 2 1 1 1 1 2 2 4 4 2 3 8 3 1 1 10 8 2 2 4 7 8 2 1 1 1 1 1 2 3 2 2 2 1 1 1 2 2 2 3 2 1 1 2 1 1 1 1 1 1 1 1 2 7 14 8 4 1 2 4 2 2 2 2 2 2 2 2 1 1 1 1 2 3 4 13 15 8 3 1 3 3 0 33 59 10 4 3 0 1 3 10 2 6 3 2 0 1 7 10 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 4 10 15 12 3 3 1 2 2 1 2 100 22 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 q 1H J 6 | 74 74 m 2H | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 70 70 d 1H J 27 | 69 68 m 2H | 51 50 t 2H J 8 | 50 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(S(=O)Cc3cc(N)c(Br)cn3)nc2c1
ir: 29 16 16 13 6 13 7 6 8 5 2 5 5 5 3 2 2 4 1 3 2 1 0 1 3 2 3 4 3 2 2 2 2 2 3 7 5 7 4 3 3 2 2 3 2 1 2 4 4 1 4 4 2 8 12 3 1 1 1 2 2 1 2 1 2 2 4 9 6 3 1 1 1 0 1 4 4 4 9 7 2 2 1 2 5 1 1 3 4 9 3 3 2 2 1 2 4 2 1 1 1 1 3 5 21 9 1 1 11 2 0 3 1 1 7 11 1 2 2 1 1 2 0 2 4 3 3 1 1 1 1 1 1 1 2 4 2 1 1 1 2 2 1 7 13 1 0 1 1 0 0 3 3 8 8 30 34 6 3 3 11 36 7 4 2 2 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 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 1 1 1 0 0 0 0 1 0 1 1 1 1 1 3 4 2 1 1 1 1 1 3 5 2 8 21 8 5 1 1 1 1 1 1 1 1 1 0 1 1 0 1 3 12 22 2 0 0 1 4 4 5 6 4 17 35 100 45 2 1 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 75 75 d 1H J 78 | 71 71 d 1H J 22 | 70 69 dd 1H J 22 77 | 69 69 t 1H J 10 | 45 45 d 2H J 9 | 41 41 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.