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Cc1c(CN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)cnn1-c1ccccc1
ir: 4 5 3 2 2 6 5 1 2 3 5 4 4 2 4 2 3 5 4 2 1 3 5 3 4 5 5 2 2 14 8 19 19 11 8 13 33 26 35 17 15 30 77 7 10 12 17 21 7 5 5 2 2 3 3 5 1 2 2 1 1 3 4 8 5 6 5 13 10 16 8 3 3 2 2 3 3 3 4 6 4 16 31 7 5 4 3 4 12 12 8 6 5 4 5 5 2 4 3 6 7 6 10 5 4 7 39 11 5 5 2 4 4 2 0 2 2 3 3 4 2 5 2 6 4 3 4 10 21 20 6 3 2 5 11 19 3 4 1 3 3 16 8 24 39 91 86 17 6 5 4 12 8 32 8 6 14 4 2 3 3 4 22 8 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 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 1 1 1 1 1 2 1 2 1 1 2 1 2 3 4 4 3 4 8 8 9 21 12 17 100 18 12 8 6 3 2 3 4 4 1 2 1 2 2 2 2 4 2 3 7 7 12 31 53 27 9 5 2 4 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 76 76 d 1H J 9 | 75 74 m 8H | 72 72 t 1H J 78 | 70 69 ddt 1H J 8 21 77 | 38 37 d 2H J 9 | 28 27 ddd 2H J 53 81 121 | 27 25 m 5H | 24 24 s 2H | 21 20 m 2H | 19 18 ddt 2H J 54 81 132 | 12 11 d 5H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(CNCc2ccccc2)c(O)c2cncnc2n1OCc1ccccc1
ir: 1 1 1 1 0 1 1 3 4 2 0 1 1 1 1 0 1 1 35 2 3 1 1 2 1 2 1 1 3 5 3 21 17 10 4 2 9 29 32 59 43 14 8 17 50 44 4 7 10 4 13 10 18 11 8 5 6 6 2 9 3 3 6 11 13 6 3 6 7 8 2 5 5 9 17 9 29 8 6 3 1 2 1 2 1 2 0 1 3 9 2 2 5 6 1 2 4 31 100 5 3 6 3 2 2 2 4 4 43 57 8 32 6 18 3 2 2 1 1 2 4 3 1 4 2 1 0 2 2 3 16 5 3 4 9 15 2 2 3 8 3 3 12 38 2 3 2 1 0 0 20 10 2 5 11 8 9 15 1 2 2 18 44 3 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 4 2 2 6 13 11 26 35 20 35 79 23 19 7 4 2 1 1 1 0 0 1 1 1 1 4 20 60 8 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 74 72 m 11H | 51 50 t 2H J 9 | 46 45 p 1H J 60 | 40 39 d 2H J 61 | 38 37 d 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2c(Br)nn(CC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
ir: 1 17 5 5 4 5 7 7 8 6 4 6 3 2 5 3 5 2 3 2 1 3 2 2 3 2 3 2 4 4 2 4 9 5 11 5 3 6 5 1 6 2 5 13 4 2 3 2 4 3 2 2 5 6 6 3 9 8 9 9 6 14 22 5 4 2 2 2 2 2 1 1 1 2 1 3 2 9 4 1 2 2 1 2 2 19 7 2 1 1 2 2 8 3 2 3 16 11 5 11 6 3 7 13 16 10 25 39 38 65 63 41 47 13 24 29 32 47 33 28 28 12 12 11 12 4 14 11 14 23 19 13 5 4 2 9 6 4 4 8 5 5 19 100 28 44 24 12 3 1 1 1 1 1 1 1 2 1 3 2 1 1 1 2 1 2 2 14 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 3 3 4 4 3 2 3 3 4 17 8 21 15 11 12 16 16 28 22 20 14 46 72 82 24 22 30 3 2 3 2 2 1 2 3 2 2 1 1 2 1 2 2 2 1 2 2 6 5 59 12 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 45 45 d 1H J 70 | 44 43 d 2H J 51 | 35 35 dp 1H J 50 70 | 26 26 s 2H | 20 19 tt 1H J 52 65 | 18 17 m 4H | 15 14 m 4H | 14 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(CCC#Cc2cccc(CF)n2)nc2cccc(Cl)c21
ir: 1 1 1 2 3 2 5 1 3 3 1 1 0 1 1 2 1 2 2 1 2 1 1 3 2 1 2 2 8 1 3 4 1 2 1 0 1 4 1 1 1 3 8 3 4 8 30 100 17 3 2 3 7 2 4 2 1 0 0 1 0 0 1 3 4 3 3 5 1 1 1 1 2 3 1 1 2 2 3 8 2 7 1 1 1 0 0 0 0 0 1 3 1 1 1 1 0 1 1 1 0 1 2 1 1 4 4 1 0 1 3 1 1 1 1 1 1 1 2 3 1 2 4 7 7 1 3 10 5 4 4 3 1 1 1 2 4 30 56 10 7 2 3 7 6 4 2 1 1 1 1 1 1 6 26 34 27 2 1 14 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 2 3 1 2 1 1 2 1 2 7 11 4 13 52 32 9 9 2 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 74 73 dd 1H J 12 67 | 73 72 m 2H | 72 72 ddq 1H J 10 20 76 | 55 55 d 1H J 7 | 54 54 d 1H J 7 | 37 37 s 2H | 30 30 t 2H J 52 | 29 28 t 2H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)OCc2cc(N)cc(F)c21
ir: 22 11 5 4 5 3 2 2 7 3 0 2 3 3 1 2 3 2 1 2 2 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 2 2 2 2 2 1 2 1 2 3 19 8 4 2 2 1 1 1 2 1 2 2 3 15 5 4 11 1 0 2 2 0 1 2 2 0 1 2 2 1 6 2 1 0 1 3 3 1 2 2 1 0 1 2 1 0 3 3 1 0 2 3 3 3 7 10 7 8 6 4 1 1 2 2 1 2 5 3 1 1 2 4 1 1 2 1 1 1 2 1 1 4 6 15 16 1 2 4 17 48 11 2 1 1 2 2 100 5 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 2 3 3 3 2 9 17 8 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 30 14 2 1 1 2 1 1 1 2 2 2 85 76 6 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 68 67 m 1H | 66 65 dd 1H J 21 122 | 51 51 d 2H J 7 | 46 45 s 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2nc3c(=O)[nH]ccc3cc2-c2ccccc2)cc1
ir: 1 5 9 5 3 9 8 9 3 6 10 6 11 47 15 7 2 6 8 3 4 6 9 7 5 8 8 7 5 8 8 16 23 7 100 32 11 10 7 4 4 27 11 6 10 10 17 6 50 14 7 2 6 11 68 6 6 10 6 4 5 9 5 3 6 9 9 14 12 13 13 2 8 9 31 5 12 9 8 2 7 13 4 3 7 8 7 16 7 7 3 6 9 8 6 6 8 7 5 16 17 12 4 5 20 6 5 11 14 7 2 8 32 6 4 6 8 6 4 16 12 6 9 16 13 7 11 35 37 9 5 7 10 5 7 15 12 5 8 13 10 13 26 47 66 22 66 9 7 7 25 16 29 1 7 9 6 0 12 37 16 5 6 12 5 2 4 8 5 2 4 8 5 2 5 8 5 2 5 7 4 2 5 7 4 2 5 7 4 3 6 7 4 3 7 7 3 3 6 6 3 3 7 6 3 3 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 8 5 2 5 8 5 2 5 8 4 2 5 8 4 2 5 7 4 2 6 7 4 3 5 7 4 3 6 7 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 2 4 7 10 2 4 8 5 2 4 10 6 1 5 10 6 0 7 26 68 65 44 32 15 8 12 7 6 4 6 6 5 4 5 6 5 4 7 5 5 6 6 7 20 50 26 46 5 4 7 10 4 4 7 6 3 4 7 5 3 4 7 5 4 5 6 5 3 4 7 5 2 5 7 5 2 5 7 5 3 5 7 4 3 5 7 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 4 6 6 4 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 4 7 5 3 5 7; 1HNMR: 100 100 s 1H | 83 83 s 1H | 80 79 m 2H | 78 78 m 2H | 76 76 m 2H | 74 73 m 4H | 72 72 t 1H J 72 | 69 69 d 1H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCCn2c3c(c(=O)c(O)c21)C(=O)N(Cc1ccc(F)cc1)CC3
ir: 10 14 14 10 12 7 5 9 8 7 6 8 9 7 9 8 10 5 6 7 9 10 9 22 15 48 44 27 10 5 5 13 8 5 5 8 12 5 8 15 9 7 6 7 8 8 6 8 6 5 5 8 9 11 34 26 14 13 8 9 9 9 8 7 7 6 8 9 6 9 6 11 8 7 7 6 6 5 7 12 8 6 7 7 9 33 37 19 6 5 12 12 7 10 11 13 15 10 16 9 8 11 17 11 7 6 7 6 6 8 12 7 7 7 9 8 8 7 10 8 9 8 12 9 10 17 7 6 6 7 8 6 5 7 8 8 6 12 11 7 6 7 7 5 6 7 9 13 16 14 10 14 12 7 6 4 5 7 6 3 5 11 100 8 6 7 6 4 5 7 5 5 6 7 5 4 6 7 5 4 6 7 5 4 6 6 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 6 4 5 6 6 4 5 7 6 4 6 7 6 5 6 7 6 4 5 7 5 4 6 7 5 4 6 6 5 4 6 6 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 7 6 4 5 7 6 5 6 7 7 4 5 10 9 4 6 8 6 4 8 11 11 8 12 39 18 6 7 11 5 0 95 96 13 10 6 5 6 6 5 5 5 5 5 5 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5; 1HNMR: 74 73 ddt 2H J 9 35 81 | 71 70 m 3H | 46 46 d 2H J 9 | 39 38 m 2H | 36 35 m 2H | 31 30 h 1H J 73 | 28 27 m 2H | 18 16 m 4H | 16 15 m 2H | 11 11 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)ccc1-c1ncnc(Nc2cc(F)cc(CSC)c2)n1
ir: 4 4 3 4 3 6 6 4 3 4 4 5 4 5 6 7 6 6 4 5 8 5 6 9 6 11 9 7 19 28 25 14 11 14 9 8 17 6 6 13 9 6 4 3 4 3 4 3 4 6 11 2 100 11 10 13 10 0 6 7 7 3 4 8 8 6 20 14 16 9 5 4 4 4 4 3 3 4 4 3 3 3 3 3 3 3 4 5 4 4 11 6 6 9 5 5 5 4 5 8 27 9 5 4 5 8 11 9 5 7 6 5 6 5 4 4 5 4 4 4 5 5 9 6 5 11 14 6 18 9 4 4 4 3 3 4 4 3 4 9 8 6 12 6 8 12 37 34 56 12 23 7 10 16 8 23 5 7 5 4 11 8 50 33 4 5 4 3 4 4 3 3 3 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 3 4 3 4 4 4 4 4 4 5 7 11 7 24 39 19 12 5 6 4 4 5 4 4 3 4 4 4 4 5 4 4 3 4 5 4 4 6 9 25 69 15 7 6 5 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 89 88 s 1H | 86 85 s 1H | 79 78 dd 1H J 50 92 | 72 71 dt 1H J 22 121 | 71 70 ddd 1H J 22 93 103 | 70 69 dq 1H J 11 22 | 68 67 m 2H | 39 39 m 5H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CCNc2ccc3c(c2)OCC3)cc1
ir: 34 41 5 7 4 27 7 5 12 5 5 4 2 5 3 3 2 1 1 2 2 3 4 9 2 2 2 1 2 2 2 4 3 2 7 8 5 3 1 2 1 1 1 1 1 1 1 2 4 1 2 3 4 23 21 37 12 2 2 3 2 3 2 1 2 6 12 100 5 3 2 2 2 2 8 2 1 1 1 1 1 1 1 1 1 1 23 2 1 2 3 3 3 3 12 1 6 22 2 2 3 7 1 2 7 3 2 2 0 9 45 4 4 10 5 2 3 2 2 3 4 5 5 5 5 24 2 2 2 1 3 3 2 1 2 1 1 2 2 1 4 5 3 6 38 3 24 12 14 9 6 13 8 7 14 1 3 3 1 1 1 3 13 21 3 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 2 1 1 2 1 1 2 2 2 1 4 3 2 3 2 2 2 14 10 17 52 58 23 13 11 10 3 7 3 2 2 1 2 1 1 2 2 2 2 3 2 5 3 19 79 79 97 21 15 8 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 72 71 m 3H | 71 70 m 2H | 65 64 dd 1H J 21 80 | 62 61 d 1H J 22 | 59 59 t 1H J 46 | 45 44 t 2H J 42 | 35 35 q 2H J 51 | 31 31 td 2H J 9 42 | 30 29 tt 2H J 9 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCN(c2c(C)nn(CCN)c2C)CC1
ir: 3 2 1 1 1 2 1 1 1 1 0 1 1 0 0 1 1 2 1 1 2 1 2 6 4 1 3 0 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 4 6 2 1 1 3 5 3 2 0 2 1 2 5 4 4 7 6 4 24 6 5 8 1 0 1 1 3 1 3 1 1 1 3 2 2 1 1 2 1 1 2 3 2 1 0 1 1 1 0 1 1 2 1 3 2 1 1 1 2 1 1 2 1 2 3 3 3 4 4 5 3 2 2 5 6 3 4 18 5 8 16 4 7 2 1 1 1 1 0 1 2 18 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 2 1 1 0 0 1 1 0 0 1 1 1 0 1 4 6 7 14 5 5 3 8 6 2 100 15 3 12 3 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 41 41 t 2H J 27 | 36 35 m 4H | 34 33 m 4H | 32 31 tt 2H J 27 67 | 22 22 s 3H | 22 22 s 3H | 21 21 s 3H | 20 20 t 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H]2OCc3c(C4CC4)cccc3[C@@H]2C1
ir: 4 2 3 3 17 9 7 4 3 8 12 10 4 3 2 2 2 2 1 2 2 2 2 2 4 3 1 2 1 1 1 1 2 1 2 2 3 5 15 9 3 3 3 3 2 1 10 18 4 4 6 2 2 0 2 2 2 0 1 3 3 4 4 3 1 1 2 2 1 1 2 4 1 1 2 4 5 1 2 2 2 1 4 2 1 4 3 4 2 2 9 4 6 5 3 2 2 2 4 4 1 2 2 5 3 6 3 2 1 4 2 2 1 4 33 6 3 5 3 5 5 3 5 2 6 3 3 2 3 8 3 8 4 19 4 1 2 4 2 13 1 3 3 2 9 3 3 0 1 5 5 100 6 1 1 2 5 3 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 4 4 1 2 2 5 8 8 7 18 8 6 21 10 2 6 6 3 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 72 71 m 2H | 71 70 m 1H | 51 51 d 1H J 145 | 50 49 d 1H J 143 | 42 42 m 1H | 41 40 dt 1H J 21 115 | 40 39 m 1H | 39 38 dd 1H J 42 115 | 38 37 dd 1H J 26 117 | 34 33 m 1H | 27 26 m 1H | 15 14 s 8H | 11 10 m 2H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(CBr)cc(OC)c(I)c1OC
ir: 14 13 21 9 20 22 39 32 67 17 8 5 3 5 6 12 21 8 4 3 3 1 1 7 5 6 2 11 7 15 10 6 9 24 15 14 6 4 5 4 4 4 5 4 6 3 2 2 1 1 1 3 3 1 5 4 16 6 7 8 5 6 4 13 2 6 18 70 19 9 29 8 16 12 14 8 4 4 7 2 1 4 20 14 3 1 4 8 4 2 3 1 2 1 2 3 1 3 10 24 7 13 12 10 3 5 18 26 11 51 23 41 28 13 25 14 6 15 12 6 3 4 7 5 4 6 7 13 26 10 3 4 5 7 12 32 8 6 2 3 2 9 53 11 7 6 11 13 27 19 17 35 3 4 3 2 1 3 3 3 100 23 6 2 2 2 1 0 1 1 1 0 1 1 1 1 1 2 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 2 0 0 2 1 1 1 2 3 4 9 5 4 2 4 8 6 2 5 5 2 6 4 26 53 19 11 50 28 5 5 6 2 2 1 2 1 1 1 1 1 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 67 67 t 1H J 9 | 50 50 d 2H J 7 | 44 44 q 2H J 64 | 39 39 s 3H | 39 38 s 3H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ncnc(Cl)c1OC
ir: 18 19 16 16 16 16 15 16 17 16 16 17 22 19 19 21 20 23 22 41 30 22 18 18 17 17 17 19 25 21 25 19 20 16 16 19 18 20 41 62 59 35 23 30 24 18 18 16 17 18 18 17 16 17 23 18 17 16 16 16 18 16 17 16 17 20 100 31 18 18 17 19 18 22 22 50 31 17 17 19 16 16 17 17 16 16 16 16 16 16 16 16 16 17 14 18 70 19 19 19 21 25 25 17 16 16 17 16 15 18 18 20 32 29 36 24 18 20 22 21 16 17 18 16 20 19 18 21 20 25 20 16 15 17 17 15 15 17 17 15 14 18 18 13 16 35 53 0 33 66 14 20 18 14 16 26 20 14 16 17 16 15 16 17 16 15 16 17 16 15 16 16 16 15 16 16 16 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 16 16 16 16 16 16 16 16 17 17 16 17 25 34 17 17 17 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16; 1HNMR: 84 83 s 1H | 44 43 q 2H J 67 | 40 40 s 3H | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(C)(C)NC2(C)C
ir: 3 4 3 2 2 2 2 1 1 1 4 4 7 4 5 2 2 1 2 1 0 1 1 1 1 1 1 1 2 5 4 5 3 3 2 2 2 3 4 3 4 6 3 3 8 7 2 5 2 2 1 3 6 22 19 6 2 2 2 2 2 3 3 3 7 11 8 11 5 4 2 1 2 1 1 1 1 1 1 0 1 1 1 1 3 3 6 2 4 8 5 3 1 2 4 3 2 2 3 11 5 2 1 1 1 1 4 4 2 2 3 9 9 16 14 27 27 26 0 3 5 2 1 2 3 2 3 13 19 35 31 4 1 3 2 1 0 1 1 1 1 10 6 1 0 1 2 1 1 9 4 5 2 4 1 1 0 1 0 0 1 3 7 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 0 0 1 1 1 1 3 3 1 15 13 12 20 21 3 5 2 1 1 1 1 1 1 1 1 2 3 2 2 4 20 38 100 7 2 2 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 d 1H J 73 | 69 69 d 1H J 21 | 68 68 dd 1H J 22 73 | 38 38 s 2H | 37 37 s 1H | 17 17 d 13H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CN(C(=O)OC(C)(C)C)CC(OCc2ccc3ccccc3c2)C1c1ccc(Cl)cc1
ir: 2 5 7 4 2 10 9 6 2 12 27 28 7 7 3 4 8 9 3 2 1 1 2 1 1 1 1 0 1 1 1 1 2 1 2 1 3 0 3 5 3 4 19 2 1 1 4 3 3 2 3 11 13 81 15 12 6 4 3 1 6 4 2 1 1 3 7 3 5 4 5 1 3 6 6 3 6 2 2 2 1 1 1 6 1 1 1 4 3 1 1 3 3 14 18 13 3 10 7 5 6 4 3 14 17 5 6 5 5 7 3 6 2 6 6 4 6 3 7 21 14 7 21 29 6 8 5 16 9 6 12 13 5 1 5 6 6 3 3 3 3 4 4 5 3 3 12 15 28 6 12 100 8 9 1 5 3 40 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 2 3 2 3 5 4 2 3 6 4 4 7 19 39 16 39 90 27 14 5 2 3 2 2 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; 1HNMR: 80 79 m 1H | 78 78 ddd 1H J 13 21 79 | 77 76 m 2H | 76 75 ddd 1H J 14 69 85 | 75 74 ddt 1H J 9 70 78 | 74 73 ddt 1H J 8 17 74 | 73 72 m 2H | 72 72 m 2H | 47 46 dt 1H J 9 115 | 46 45 dt 1H J 9 115 | 43 42 dt 1H J 36 60 | 39 39 dd 1H J 37 119 | 37 36 m 2H | 34 34 dd 1H J 46 114 | 29 29 m 1H | 25 24 dtt 1H J 47 68 80 | 17 16 m 1H | 15 14 s 7H | 15 13 m 2H | 13 12 m 1H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCc1ccc(Oc2ccccc2)cc1)=NO
ir: 3 12 8 8 4 13 10 9 7 4 12 14 11 7 9 4 2 1 0 3 2 0 1 1 2 0 1 1 1 1 5 1 2 2 3 3 5 4 6 5 11 42 13 5 5 3 3 3 1 2 1 8 12 5 4 46 31 7 6 8 4 2 1 1 1 1 2 2 13 8 4 2 4 5 3 4 19 13 5 1 1 1 1 1 1 2 5 3 1 3 6 14 9 12 4 3 6 5 3 2 1 1 2 3 6 9 1 0 0 0 1 3 1 1 3 2 1 1 0 1 0 1 1 1 1 4 1 1 1 1 0 1 1 5 2 7 1 0 1 1 0 2 4 10 24 4 2 6 25 4 6 12 3 3 1 0 0 0 1 4 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 1 0 1 0 1 1 2 2 1 0 1 2 3 2 5 7 21 100 17 6 3 3 2 1 2 15 4 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; 1HNMR: 91 91 s 1H | 74 73 m 2H | 72 71 m 3H | 70 70 m 2H | 69 68 m 2H | 29 29 ddt 2H J 9 77 87 | 27 26 t 2H J 78 | 20 19 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(S(=O)(=O)N2CCc3ccc(CC#N)cc32)c(C)c1
ir: 9 5 3 7 5 2 1 6 9 24 43 24 5 8 3 4 5 10 13 10 5 3 1 4 6 5 7 7 8 5 3 8 3 2 1 4 4 5 3 4 3 1 2 4 3 1 2 6 6 3 5 9 25 33 9 4 5 6 3 4 4 9 8 7 41 17 6 10 18 5 34 45 17 8 4 5 2 2 3 16 22 7 6 17 17 100 17 5 3 4 11 10 4 11 19 5 2 4 6 6 4 3 10 3 1 2 4 4 1 3 5 3 6 3 6 3 0 4 10 5 4 6 6 5 2 5 5 5 5 9 10 5 2 3 4 1 1 3 3 1 2 5 5 18 1 4 9 2 1 4 13 7 2 8 10 4 47 8 4 3 4 84 8 16 3 4 2 0 2 4 2 1 2 4 2 1 2 4 3 2 4 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 4 6 3 2 5 5 5 2 4 5 4 2 5 24 18 14 71 57 28 14 8 4 3 4 3 3 3 2 3 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 73 dt 1H J 8 18 | 71 70 dt 1H J 8 81 | 70 70 ddt 1H J 8 18 82 | 69 68 s 2H | 43 42 t 2H J 48 | 39 38 s 2H | 38 38 t 2H J 9 | 31 30 m 2H | 26 26 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(/C=C/c1cc(C(F)(F)F)ccc1Cl)(CF)CF
ir: 7 9 3 5 8 11 10 10 9 3 3 9 9 4 2 5 5 7 2 2 6 3 21 5 5 3 4 2 4 3 2 2 4 2 7 5 3 2 2 2 2 1 1 2 3 2 2 2 2 2 2 2 2 11 17 15 6 2 3 6 2 1 2 3 3 16 14 19 17 7 2 6 17 6 22 100 49 36 44 15 4 3 4 6 8 6 11 11 4 15 23 18 5 4 3 24 6 8 14 26 30 31 16 15 6 7 7 7 1 2 4 8 7 26 20 5 3 6 6 2 2 6 5 4 5 11 8 21 12 8 8 6 8 10 6 5 3 2 2 2 13 23 8 2 1 3 2 5 13 11 2 1 1 13 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 4 4 2 2 5 2 4 9 17 19 34 35 37 33 5 4 4 2 2 10 33 16 5 3 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 1 0; 1HNMR: 78 78 d 1H J 19 | 76 75 m 2H | 64 63 d 1H J 126 | 59 58 dtt 1H J 9 42 126 | 46 45 ddd 1H J 8 35 95 | 45 44 ddd 1H J 9 35 97 | 43 43 ddd 1H J 9 36 97 | 42 42 ddd 1H J 9 36 97 | 39 38 t 1H J 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(C)(C)C(N)c1ccccc1
ir: 2 2 9 6 2 2 13 4 1 2 2 3 4 2 2 1 1 1 1 2 4 2 2 1 1 2 2 1 1 2 3 6 3 2 2 3 2 2 2 1 1 4 41 21 3 1 1 2 2 1 1 2 2 2 1 4 2 2 1 2 2 2 4 2 7 4 7 5 5 27 5 2 3 1 3 8 34 58 11 4 12 17 4 3 3 2 4 12 3 2 4 5 12 12 2 2 2 2 5 7 3 2 2 5 3 2 3 4 5 5 3 2 2 1 2 2 6 8 4 3 3 2 6 8 5 2 5 12 11 13 12 13 12 10 8 13 9 2 2 2 2 3 3 7 5 4 3 2 2 1 1 2 3 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 2 2 2 2 2 3 5 5 7 8 69 8 5 3 2 2 2 2 3 2 4 3 4 6 10 11 14 8 14 17 9 3 100 45 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 6H | 40 39 ddddd 1H J 8 15 22 55 72 | 23 23 s 5H | 20 20 d 2H J 66 | 13 13 d 3H J 16 | 12 12 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=Cc1ccccc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
ir: 3 2 0 1 2 3 5 4 3 4 5 7 4 10 8 5 12 5 9 5 13 41 59 12 16 17 31 11 34 7 2 5 4 8 2 4 2 2 1 5 8 21 100 43 3 3 3 2 4 1 13 19 19 5 4 4 3 1 2 2 2 1 2 2 2 2 3 7 7 2 2 2 1 1 3 6 4 16 10 36 4 4 4 3 1 3 5 3 4 5 3 6 1 1 2 4 22 6 2 4 5 1 1 3 6 17 19 4 17 4 3 3 2 2 4 2 1 2 4 3 5 8 21 9 5 8 3 3 1 1 1 2 2 2 2 3 8 6 3 2 2 10 5 10 14 9 42 12 20 6 3 9 15 16 3 2 1 8 1 0 1 10 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 0 2 2 4 2 1 4 5 11 25 34 22 6 11 2 3 2 2 1 10 7 2 1 1 1 1 1 1 1 2 2 2 3 11 53 15 85 16 4 3 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 90 90 d 1H J 68 | 84 84 d 1H J 91 | 83 83 s 1H | 76 76 m 2H | 75 74 m 4H | 74 73 dd 1H J 15 77 | 72 71 m 2H | 71 70 m 1H | 65 64 d 1H J 167 | 47 46 dt 1H J 64 92 | 33 33 m 1H | 31 30 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2nn(-c3cc(Cl)ccc3O)nc12
ir: 2 8 5 9 8 5 7 9 13 4 6 10 2 3 2 1 1 1 1 2 1 2 1 2 1 1 1 1 2 3 1 1 1 1 1 1 2 2 2 3 4 3 1 1 1 1 2 4 3 1 1 1 3 0 9 4 3 1 3 1 1 1 1 1 1 2 2 3 3 1 1 1 1 1 1 1 2 1 2 2 7 2 2 2 3 10 15 26 4 3 2 1 1 3 6 20 10 2 2 1 1 1 4 3 3 2 2 1 1 1 1 2 6 2 1 2 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 6 2 1 1 1 2 4 8 7 2 5 7 3 2 2 2 5 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 9 23 20 4 3 4 2 4 100 21 4 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 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; 1HNMR: 98 98 s 1H | 79 79 dd 1H J 12 74 | 76 76 d 1H J 21 | 76 75 ddd 1H J 8 14 92 | 75 74 dd 1H J 73 90 | 72 72 dd 1H J 22 70 | 69 69 d 1H J 69 | 25 25 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)(O)c1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
ir: 8 6 1 7 8 6 1 5 6 6 3 3 5 3 1 5 5 2 2 15 10 4 2 4 4 3 3 4 14 7 11 15 18 9 15 10 9 7 8 35 23 15 6 13 12 100 45 15 15 4 6 7 7 20 24 7 8 2 5 4 4 5 17 12 10 6 11 5 11 5 10 2 6 4 4 18 10 14 25 22 30 17 7 11 8 9 4 4 8 15 7 6 7 3 7 5 4 7 9 7 6 14 16 8 40 7 4 3 0 3 7 2 4 40 19 17 6 4 6 4 3 3 9 5 5 5 9 7 3 6 11 11 4 8 11 11 1 14 8 2 4 4 6 19 6 27 34 29 8 10 30 15 15 21 41 14 5 5 4 1 4 7 2 3 3 4 2 0 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 2 3 1 0 1 3 1 0 2 3 2 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 2 2 2 2 2 2 2 3 2 4 9 17 17 28 80 65 28 9 9 4 2 5 6 3 1 2 3 2 1 2 3 2 2 3 4 3 3 6 10 22 29 23 10 4 5 4 4 2 1 3 2 0 1 2 2 0 1 3 2 0 1 2 1 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 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0; 1HNMR: 87 87 t 1H J 17 | 84 83 ddd 1H J 15 22 38 | 81 81 d 1H J 22 | 81 80 dt 1H J 19 77 | 78 77 dd 1H J 22 77 | 74 74 dq 2H J 10 74 | 74 73 m 5H | 71 70 d 1H J 77 | 51 50 t 2H J 9 | 42 42 s 1H | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)OC)c3c2)ncn1
ir: 2 4 2 3 2 3 4 2 1 3 3 2 10 9 1 2 3 4 2 6 2 1 3 5 2 2 4 2 2 2 4 15 5 4 12 10 30 100 8 18 4 10 13 5 19 8 5 4 5 3 2 5 5 10 10 19 9 4 1 2 1 2 3 2 3 20 30 20 18 15 8 3 4 3 5 7 1 2 1 2 4 5 18 3 4 3 6 8 2 7 9 7 2 4 3 7 6 7 8 8 3 4 4 8 8 68 2 3 9 8 1 3 12 6 11 8 7 3 9 7 9 5 7 5 3 5 4 4 5 4 16 15 3 12 10 5 2 3 13 29 12 82 17 2 85 7 8 23 37 11 13 8 10 1 1 6 83 5 2 2 20 89 26 3 3 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 0 1 2 2 2 4 1 1 1 2 3 4 14 15 12 11 17 24 5 7 8 2 2 1 2 1 3 1 1 1 1 1 1 1 2 6 2 4 8 13 20 19 31 51 3 2 1 2 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 d 1H J 14 | 80 79 d 1H J 23 | 76 76 dd 1H J 22 77 | 75 74 d 1H J 77 | 72 72 d 1H J 16 | 37 36 s 3H | 33 32 d 2H J 55 | 32 32 t 2H J 66 | 31 30 m 2H | 30 29 m 2H | 17 16 qt 2H J 67 78 | 11 10 tt 1H J 54 62 | 9 8 t 3H J 78 | 6 5 m 2H | 3 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2cc(Br)c(=O)n(Cc3c(F)cccc3C3CC3)c2n1
ir: 13 10 6 5 7 2 3 6 9 4 5 4 6 2 3 2 3 7 7 7 2 2 2 3 3 5 6 14 3 1 2 4 4 6 3 4 3 12 14 24 12 18 16 16 15 9 30 50 17 5 12 15 5 2 2 4 3 6 7 12 6 11 16 6 4 1 2 4 2 1 2 2 1 2 5 8 2 1 2 3 5 12 17 15 6 10 5 29 1 4 12 36 10 12 5 13 9 6 4 5 1 3 5 32 3 6 11 9 14 41 11 23 43 19 26 30 5 20 20 14 7 7 11 4 3 5 5 4 5 3 3 1 1 4 6 6 4 6 19 27 17 11 16 40 51 4 3 1 8 29 10 4 6 4 3 2 28 11 7 53 12 4 5 1 1 4 23 8 2 2 2 0 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 3 3 3 3 4 4 3 1 3 5 11 8 7 14 4 9 7 34 21 22 23 19 50 52 33 100 43 8 29 18 18 4 7 6 4 2 3 3 2 2 4 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1; 1HNMR: 90 90 s 1H | 83 83 s 1H | 73 72 td 1H J 52 79 | 71 70 m 2H | 56 55 d 2H J 46 | 28 27 m 1H | 26 25 s 2H | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2cc3c(N[C@@H]4CN(C(=O)C5(C#N)CC5)C[C@@H]4C)c(C(N)=O)cnn3c2)c1
ir: 3 2 2 1 5 3 4 4 1 3 2 3 8 19 9 4 4 1 5 18 12 3 3 7 1 4 4 1 3 2 5 2 2 2 2 8 3 2 1 1 1 1 1 2 10 25 5 2 3 4 4 9 15 10 12 4 4 12 6 3 4 6 3 0 5 9 4 3 8 2 2 2 3 1 1 5 9 3 2 6 5 2 1 8 2 2 2 1 3 5 1 3 11 4 2 1 3 7 0 7 4 2 9 1 2 1 3 8 3 1 0 1 1 2 0 2 4 6 7 2 1 4 3 3 3 2 4 3 4 4 12 2 4 2 3 6 13 5 2 1 3 1 2 2 1 1 3 16 5 2 7 4 6 2 1 2 2 8 6 8 45 5 1 12 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 9 2 2 2 2 2 1 2 3 9 14 6 1 1 1 1 1 1 1 1 1 1 1 4 8 1 1 1 2 3 12 19 14 5 7 3 3 100 3 2 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H | 83 83 d 1H J 73 | 78 78 d 1H J 7 | 76 76 m 2H | 74 74 s 2H | 72 71 d 1H J 18 | 43 42 ddddd 1H J 9 18 28 40 70 | 39 38 m 1H | 38 37 m 1H | 37 36 dd 1H J 29 115 | 35 34 dd 1H J 32 117 | 24 24 s 3H | 21 20 m 1H | 17 17 m 2H | 15 14 m 2H | 10 10 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O
ir: 0 2 3 1 1 1 2 1 2 1 4 9 3 1 2 3 2 2 0 1 1 1 3 2 2 2 3 7 2 2 2 2 0 1 7 5 4 2 1 4 1 0 1 1 0 3 1 1 2 3 6 4 4 16 19 3 3 2 4 2 4 1 1 1 0 1 0 1 2 3 3 1 1 1 1 1 4 8 3 1 3 1 2 1 3 5 6 8 9 6 11 5 15 8 3 10 9 3 4 6 6 3 7 5 2 2 9 5 2 1 3 1 3 1 2 2 2 1 0 4 9 7 6 4 1 1 1 1 1 1 1 0 0 1 2 3 1 0 0 0 0 0 0 1 2 2 8 2 1 1 1 1 3 0 0 1 5 0 0 0 1 7 0 1 1 0 0 0 0 0 0 1 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 3 2 1 2 7 2 0 1 3 8 2 5 6 15 10 9 14 7 32 6 2 3 3 9 100 13 5 3 1 2 1 1 1 3 2 5 42 4 1 0 1 1 2 1 0 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 7 | 83 83 s 1H | 82 82 t 1H J 59 | 75 74 m 2H | 73 72 dt 2H J 9 80 | 60 60 ddt 1H J 8 16 62 | 54 54 d 1H J 60 | 54 53 t 1H J 45 | 52 52 d 1H J 46 | 48 47 dt 2H J 8 57 | 47 46 tdd 1H J 8 48 60 | 43 42 ddtt 1H J 8 18 37 57 | 40 40 qt 1H J 10 32 | 38 38 dddd 1H J 18 36 46 123 | 36 35 dddd 1H J 17 35 44 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCCNc2ccccc2N)CC1
ir: 10 35 24 48 44 16 6 6 31 8 33 61 21 23 3 6 6 9 5 3 2 3 5 5 3 5 8 28 5 3 4 2 2 1 1 2 2 1 2 1 9 16 50 11 7 4 6 4 3 1 2 2 6 0 1 2 2 5 2 5 3 2 7 3 7 11 1 8 4 2 4 4 4 16 8 6 6 7 6 44 8 13 3 5 31 4 2 5 2 2 3 1 1 1 2 2 6 10 5 5 10 2 4 5 5 2 5 2 1 1 1 3 5 3 4 3 3 4 4 17 15 5 6 2 2 1 1 5 3 1 1 1 9 10 6 10 5 13 7 8 3 1 1 3 1 9 27 23 11 6 9 25 5 21 10 6 14 55 63 5 5 19 3 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 2 7 11 9 16 29 5 3 2 1 1 1 1 1 1 2 2 2 2 1 5 5 14 19 6 5 5 21 53 43 25 15 10 9 33 100 5 3 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 ddd 1H J 15 71 79 | 68 67 m 3H | 51 51 t 1H J 54 | 39 38 s 2H | 33 32 q 2H J 58 | 26 25 m 6H | 24 23 m 7H | 20 19 p 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(OC)C(=O)CCc1ccc(Cl)cc1
ir: 2 3 8 3 8 7 3 2 1 2 3 5 8 19 50 15 2 3 2 0 1 1 1 0 0 1 1 5 1 1 1 1 1 1 2 1 8 13 6 4 13 37 13 8 29 26 4 5 7 6 3 4 5 65 70 21 4 3 2 1 1 2 1 1 6 2 9 100 5 87 13 8 23 89 4 6 3 25 19 7 30 15 5 5 3 10 9 0 1 1 1 0 2 22 88 6 1 1 4 4 1 1 0 0 1 0 1 1 2 1 4 6 19 9 3 2 6 6 3 4 9 5 9 9 7 4 1 2 2 2 2 2 3 4 2 5 3 21 7 2 1 2 1 2 3 12 37 16 2 2 4 2 4 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 3 2 1 1 4 5 4 3 4 2 2 2 1 4 19 33 30 30 14 12 12 17 1 2 1 1 1 1 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 dt 2H J 9 83 | 38 37 d 5H J 108 | 31 30 td 2H J 8 74 | 30 29 tq 2H J 8 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(F)c(OCc2ccccc2)c(F)c1Br
ir: 9 8 0 8 7 10 2 3 2 2 3 2 4 2 1 2 2 1 2 1 2 1 1 2 2 2 3 3 2 3 2 3 1 2 2 2 2 2 4 3 10 6 3 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 3 7 11 18 4 4 2 2 3 3 3 1 2 2 2 2 2 2 10 3 2 1 1 1 3 2 1 2 1 1 1 1 1 3 2 2 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 1 1 1 1 1 2 4 2 3 3 3 2 1 1 3 5 6 2 3 4 2 1 3 5 2 2 3 4 34 10 3 2 1 13 94 4 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 7 3 13 7 20 11 5 4 3 1 1 2 1 1 1 1 1 1 1 1 1 2 9 11 2 1 1 1 1 1 1 1 1 7 100 51 12 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: 74 73 m 5H | 65 65 d 1H J 121 | 51 51 d 2H J 9 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCN1CCOc1cncc(Br)c1
ir: 1 3 3 3 1 4 8 8 1 2 4 6 11 15 7 3 3 17 20 14 10 13 35 22 13 5 5 1 3 5 9 4 26 100 14 5 3 5 3 2 4 8 4 2 13 6 3 2 2 3 2 2 3 8 11 27 6 10 8 2 3 4 4 2 19 17 14 10 6 5 5 6 4 4 3 2 6 66 6 3 4 2 6 18 9 4 1 2 4 4 7 3 5 3 1 5 8 5 3 2 3 4 1 3 6 8 8 3 8 5 2 6 50 7 7 10 19 13 31 49 62 32 35 12 20 17 22 5 7 3 2 6 7 3 15 14 5 2 0 3 3 1 1 3 3 2 3 4 18 74 49 9 5 1 5 10 10 4 2 10 1 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 6 4 4 12 8 9 4 2 5 5 5 7 80 9 9 31 10 6 9 2 4 3 3 1 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 85 84 t 1H J 17 | 81 81 t 1H J 16 | 73 73 t 1H J 16 | 43 42 m 2H | 37 36 m 2H | 35 34 dd 2H J 39 49 | 25 24 t 2H J 57 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)c1nn(-c2ccc(Oc3ccnc(Cl)c3)c(C)n2)c(=O)[nH]1
ir: 5 4 4 10 9 4 20 9 7 3 3 7 13 7 2 3 6 5 3 5 5 2 2 8 7 14 48 9 10 5 35 18 16 13 12 9 12 28 54 100 20 8 8 15 12 13 6 7 4 0 3 7 9 6 28 14 13 0 4 5 3 0 4 4 18 12 45 12 7 2 5 9 4 9 9 8 2 2 5 4 2 2 4 5 3 5 9 16 8 9 12 7 1 2 5 4 2 3 6 16 2 3 5 10 6 3 5 3 0 3 6 5 2 4 11 10 3 7 17 9 3 6 8 6 9 6 14 7 11 7 11 10 10 16 6 4 8 10 9 12 44 12 4 1 3 20 8 39 52 20 15 20 11 9 6 1 2 10 10 26 65 37 6 3 3 4 3 2 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 6 4 4 1 3 5 3 2 3 6 4 3 5 13 16 5 19 21 25 5 5 5 3 2 4 4 2 1 3 5 2 1 3 4 2 1 5 9 7 7 46 29 29 6 3 4 3 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 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 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1; 1HNMR: 84 83 d 1H J 48 | 78 77 d 1H J 81 | 75 75 s 1H | 70 69 d 1H J 81 | 69 69 dd 1H J 20 48 | 68 68 d 1H J 22 | 24 24 s 3H | 17 16 q 2H J 77 | 12 12 s 5H | 9 8 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(O)S
ir: 2 3 5 3 1 3 3 2 1 2 2 1 1 2 2 2 3 3 4 1 0 1 2 1 1 1 2 1 1 5 4 5 1 2 2 1 1 2 2 1 3 4 9 10 9 7 1 1 1 2 1 1 2 2 1 0 2 3 1 1 3 4 6 1 3 3 1 0 1 2 3 2 4 3 3 1 1 2 2 1 6 11 96 62 100 34 21 16 3 2 1 1 2 2 1 1 1 1 1 1 2 2 0 3 6 6 6 5 8 8 9 16 6 3 1 2 1 2 2 4 3 3 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 12 7 14 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 4 2 2 2 1 2 4 3 4 6 1 2 1 1 1 1 1 1 1 2 29 20 8 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 44 44 dtd 1H J 38 48 56 | 36 36 d 1H J 37 | 21 20 d 1H J 57 | 18 17 m 1H | 16 15 m 2H | 15 13 m 1H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NC(=O)c2ccc(C)c(-c3ccc4c(C5CCNCC5)noc4c3)c2)c1
ir: 1 2 2 5 4 2 3 2 2 2 2 2 2 3 4 5 3 6 5 4 3 2 3 6 6 4 9 3 5 5 5 4 3 3 3 3 4 4 3 4 9 36 4 5 9 21 8 34 25 8 5 3 2 9 11 16 7 3 4 4 3 3 2 3 3 4 14 10 16 14 3 2 2 2 2 2 2 4 3 1 3 6 7 3 2 1 2 1 2 2 4 2 2 6 6 3 2 2 1 1 2 2 4 3 6 4 1 3 5 5 11 13 16 8 15 12 14 5 6 7 4 4 3 4 4 4 4 8 12 7 3 2 2 2 6 2 2 2 3 3 9 27 3 24 6 11 41 4 5 3 2 11 5 15 2 4 6 4 2 2 3 18 17 4 25 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 2 2 3 2 2 3 3 4 3 9 6 15 100 14 6 2 3 2 3 1 1 1 2 2 2 2 2 2 3 2 3 5 16 3 7 7 21 49 4 2 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 83 82 d 1H J 15 | 78 77 m 3H | 75 74 dd 1H J 22 84 | 74 73 m 2H | 72 72 t 1H J 79 | 72 71 t 1H J 21 | 71 70 ddd 1H J 12 22 79 | 38 38 s 2H | 33 32 p 1H J 59 | 32 31 dddd 2H J 30 38 59 134 | 29 29 dddd 2H J 31 38 58 135 | 25 24 d 3H J 10 | 23 22 p 1H J 38 | 22 21 dtd 2H J 31 59 148 | 19 18 dtd 2H J 30 57 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@]1(Cl)[C@H](c2ccccc2)[C@H]1c1ccc(Br)cc1
ir: 1 1 1 3 5 3 5 7 23 31 3 3 3 3 8 8 0 2 3 1 0 1 2 3 0 2 1 2 2 8 3 3 26 11 2 9 2 3 6 2 25 13 2 3 3 1 7 8 3 3 2 6 10 15 10 12 3 7 15 5 9 3 1 2 1 1 1 2 10 5 2 1 1 1 1 7 3 3 3 4 2 4 9 2 2 6 11 2 2 2 1 1 1 2 2 4 7 1 1 1 1 2 2 11 36 13 2 6 5 2 1 1 1 1 0 1 4 1 1 3 4 3 27 14 4 4 1 2 2 1 1 2 1 1 5 12 1 3 2 1 6 7 8 6 12 37 20 37 5 2 1 10 9 2 3 2 2 1 1 1 2 1 1 1 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 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 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 2 4 2 5 11 13 41 100 51 10 13 6 3 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 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 1 0 1 1; 1HNMR: 75 74 m 2H | 73 73 m 7H | 73 72 m 1H | 38 38 s 2H | 37 37 m 1H | 36 36 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cccc(C2CCNC2)n1
ir: 5 17 19 5 1 1 3 8 1 16 11 5 3 3 6 21 6 5 2 3 4 12 3 2 1 2 2 1 1 2 16 1 2 1 3 19 4 3 8 10 7 7 26 6 7 2 26 17 32 31 9 3 3 2 3 2 9 6 12 5 7 10 13 14 7 18 15 7 5 3 2 4 5 2 3 7 5 5 12 3 12 6 2 2 2 2 2 1 2 9 2 1 2 2 3 6 5 3 4 2 3 6 3 12 29 6 6 26 50 10 8 6 12 25 83 46 12 8 50 34 14 19 11 9 11 10 10 25 55 31 20 11 5 3 4 2 6 8 7 100 7 20 16 6 2 3 1 2 1 2 15 6 1 1 4 2 49 2 2 3 2 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 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 1 0 1 1 0 1 1 1 1 2 2 3 6 3 3 2 1 3 4 3 2 6 8 6 9 21 9 7 50 42 16 7 3 1 1 1 1 1 1 1 0 1 1 2 1 4 7 32 93 4 0 2 2 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 12 76 | 78 78 t 1H J 77 | 73 72 dt 1H J 9 79 | 34 34 m 1H | 33 32 m 1H | 32 31 ddt 1H J 27 46 135 | 31 30 m 2H | 27 27 tt 1H J 27 46 | 23 22 dtd 1H J 25 46 151 | 21 20 dtd 1H J 26 46 150 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(OC(=O)NN)CCCCC1
ir: 3 3 4 4 3 2 2 1 4 4 2 4 4 3 1 1 0 1 1 0 0 1 1 1 1 2 2 1 4 5 3 2 31 55 59 8 4 1 1 2 3 1 1 2 1 1 2 1 1 1 1 1 2 1 3 5 6 5 2 1 4 11 18 13 19 18 20 14 5 2 1 1 1 1 1 1 1 1 1 0 1 1 4 21 12 3 3 3 3 8 4 4 3 2 2 1 0 1 1 1 1 1 2 2 1 3 1 1 1 2 4 5 3 2 5 4 2 2 4 3 2 2 4 3 2 4 2 2 2 4 3 6 11 100 38 7 4 2 1 2 1 2 1 1 1 1 1 2 13 34 10 2 1 2 1 1 2 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 0 2 2 1 1 2 2 4 1 2 1 1 1 4 4 6 8 2 3 4 1 1 1 1 1 1 1 1 1 2 1 3 11 32 17 2 2 2 3 2 71 73 38 71 33 5 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 64 63 t 1H J 40 | 38 38 d 2H J 40 | 19 18 m 2H | 17 16 m 4H | 16 15 m 1H | 15 14 m 3H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(C(=O)O)cc(N2C(=O)C=CC2=O)c1
ir: 2 1 2 5 3 5 2 1 2 3 2 2 4 2 2 3 8 13 6 3 3 52 100 22 13 1 0 4 6 2 1 4 3 0 1 5 3 1 1 2 2 1 1 3 2 0 1 2 3 2 2 5 14 20 3 4 2 1 2 2 1 0 1 2 3 1 5 5 6 3 3 2 2 2 2 2 5 10 34 5 1 1 2 3 1 2 6 4 7 1 3 4 1 1 2 2 0 1 2 2 1 3 5 2 1 1 2 1 0 2 2 3 1 3 8 3 1 2 3 2 0 1 2 1 1 2 4 4 3 2 3 1 1 4 5 1 1 2 2 1 1 2 2 1 2 7 13 2 1 2 2 1 1 3 3 2 5 5 20 4 4 3 2 5 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 3 2 2 3 6 13 13 3 4 1 0 2 5 18 60 11 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 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 d 2H J 22 | 83 82 t 1H J 22 | 72 71 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2cc(C(O)CO)ccc2ccc2ncc(Cl)cc12
ir: 27 31 0 16 11 8 9 20 8 3 4 6 8 6 5 4 5 5 5 4 4 2 4 3 2 3 6 5 6 6 4 5 5 8 7 7 3 1 4 9 24 30 36 6 5 3 3 3 2 3 3 4 7 16 11 3 3 2 5 12 4 1 3 5 4 5 10 11 12 8 3 3 3 2 2 3 2 3 4 5 1 9 11 52 18 32 28 8 29 35 40 12 11 24 6 3 4 4 19 21 6 3 5 2 2 2 1 1 3 7 7 3 2 2 1 2 2 2 6 9 6 10 9 2 4 12 4 4 3 2 2 2 2 2 15 3 4 5 12 6 3 1 2 1 3 7 3 8 100 4 3 12 10 25 22 31 6 2 1 2 4 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 1 4 3 6 3 8 5 6 70 37 11 14 7 8 13 48 37 27 13 6 2 2 2 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 1 1 1 1 1 1 1 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 16 | 81 81 t 2H J 23 | 78 77 d 1H J 108 | 77 76 m 2H | 76 75 ddd 1H J 7 22 88 | 51 50 m 1H | 42 41 ddd 1H J 48 60 123 | 41 40 d 1H J 57 | 39 38 t 1H J 60 | 38 37 ddd 1H J 48 60 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCC1c2ccccc2-c2ccccc21
ir: 1 1 5 3 1 1 3 3 3 2 4 7 2 4 4 6 3 7 14 30 46 28 34 33 17 3 6 2 2 1 1 2 3 4 2 4 3 5 2 3 4 7 28 9 7 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 3 3 4 5 8 15 8 17 12 20 10 7 8 6 5 8 7 3 4 6 2 2 1 2 2 1 3 1 2 2 6 2 2 1 2 1 3 0 7 2 2 2 2 2 2 1 2 4 4 9 3 3 1 2 2 2 1 1 2 2 1 1 2 4 16 17 22 8 4 6 11 13 19 23 10 11 2 2 14 4 4 1 1 1 1 1 0 1 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 2 2 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 2 4 2 2 2 2 3 3 2 5 3 8 22 27 21 7 4 2 2 4 5 10 72 100 34 18 3 5 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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; 1HNMR: 78 78 m 2H | 75 75 m 2H | 75 74 m 4H | 38 37 m 1H | 24 24 t 2H J 88 | 21 20 td 2H J 59 83 | 18 17 p 2H J 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N)cc1Nc1nccc(-c2ccc(N(C)C)nc2)n1
ir: 12 8 11 17 8 6 6 9 10 5 6 6 3 4 7 5 10 5 6 6 4 4 4 6 5 8 5 5 5 4 4 7 4 5 9 26 5 10 4 3 3 3 3 3 3 4 3 4 5 3 4 8 5 100 44 2 7 5 4 3 4 3 3 6 4 9 25 30 12 3 4 4 5 6 4 3 3 3 3 6 11 3 3 3 4 5 4 4 4 3 3 3 3 3 3 5 10 5 3 23 6 3 3 3 3 3 2 3 5 6 3 4 3 3 2 3 4 4 3 6 7 4 6 6 5 4 3 3 3 4 6 5 4 3 3 4 15 7 7 8 13 28 5 5 7 11 6 19 22 8 8 9 23 23 9 29 50 36 19 7 6 0 11 17 24 10 5 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 3 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 4 5 20 17 12 4 3 3 3 3 3 3 3 3 2 3 3 3 4 5 12 12 6 6 4 4 10 16 14 16 8 7 14 41 4 3 3 3 3 3 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 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; 1HNMR: 90 89 d 1H J 20 | 87 86 s 1H | 85 85 d 1H J 48 | 82 82 dd 1H J 19 80 | 74 74 d 1H J 48 | 71 71 d 1H J 22 | 71 70 dq 1H J 10 79 | 68 67 d 1H J 79 | 64 63 dd 1H J 20 79 | 41 41 s 2H | 32 31 s 5H | 24 23 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(CCc1nc(-c2cccnc2)n[nH]1)C(=O)OC(C)(C)C
ir: 4 4 5 3 2 2 2 2 2 3 2 8 3 1 3 4 2 1 1 1 1 1 2 2 2 1 1 0 1 1 0 0 1 1 1 2 1 1 3 1 1 1 3 2 2 1 2 1 1 1 1 1 4 52 27 5 2 3 4 21 23 25 17 12 6 30 5 1 1 1 1 2 4 7 2 1 1 3 2 8 12 15 17 9 1 1 2 1 5 22 9 5 3 3 7 4 3 6 7 2 3 2 6 6 2 2 5 6 2 1 4 2 4 21 13 7 9 9 25 37 25 20 18 31 14 8 6 11 16 20 28 32 9 14 5 4 2 4 3 2 1 4 10 10 10 4 5 8 22 2 1 5 1 0 0 1 0 0 0 1 1 1 0 1 0 1 0 0 2 0 2 1 1 1 1 1 0 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 3 5 8 10 4 2 8 4 4 2 2 9 8 3 10 99 100 56 20 55 9 4 4 2 2 2 1 1 3 15 19 5 4 3 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 d 1H J 20 | 87 87 dd 1H J 18 48 | 84 83 dt 1H J 18 93 | 75 74 dd 1H J 48 94 | 46 45 t 2H J 56 | 32 31 t 2H J 55 | 15 15 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c(O)c2cccn21
ir: 18 15 16 19 18 7 5 6 5 4 16 53 7 10 15 5 1 5 6 3 2 7 11 5 7 30 4 3 4 6 3 2 3 3 3 6 7 14 6 4 3 11 30 51 33 99 5 7 14 14 10 5 7 11 51 63 16 9 16 30 32 11 8 37 20 57 36 27 18 23 15 5 6 13 11 15 53 16 6 2 7 7 4 4 27 37 12 10 61 7 4 6 7 4 5 1 6 8 5 5 13 9 28 10 17 11 8 9 11 20 15 25 7 30 6 17 19 5 4 17 14 7 5 2 10 8 1 7 7 7 4 5 7 20 6 3 4 2 2 3 4 1 2 5 19 1 15 70 4 0 1 6 17 7 15 22 7 1 2 3 2 2 100 5 4 1 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 0 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 0 2 3 1 0 3 3 1 1 2 2 1 1 3 3 1 1 3 2 1 1 3 3 2 3 3 5 4 4 7 5 2 4 6 5 3 9 7 18 39 15 29 31 51 51 50 30 11 12 5 3 5 3 4 4 1 3 5 2 1 3 3 2 1 3 3 8 10 36 15 4 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 0 2 3 2 0 1 3 2 0 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3; 1HNMR: 78 77 m 2H | 72 71 dd 1H J 22 82 | 70 70 dd 1H J 18 46 | 70 69 dd 1H J 18 75 | 69 69 dd 1H J 46 75 | 40 39 t 2H J 82 | 35 34 s 3H | 29 29 s 3H | 17 16 m 4H | 10 9 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)C(=O)c1cc(C(=O)OC)cc(-c2nccn2COCC)c1
ir: 33 20 16 24 6 22 18 16 8 9 13 9 3 8 9 6 4 8 14 8 53 12 10 11 11 9 14 3 5 9 12 11 39 18 47 5 7 10 12 38 48 26 10 22 30 26 40 2 7 15 8 3 5 9 6 0 9 19 6 5 6 11 11 0 7 12 7 13 75 68 23 2 20 31 14 44 14 9 5 2 7 9 3 11 15 21 14 15 8 8 6 6 14 24 10 20 10 7 4 5 9 7 3 13 12 9 7 8 11 17 2 9 14 14 10 46 88 25 44 10 10 20 29 29 77 41 64 38 61 19 2 7 9 15 23 23 19 27 19 60 24 5 5 10 28 62 38 59 45 9 9 10 20 13 6 11 7 1 4 9 6 2 7 13 6 1 5 9 5 1 5 9 5 2 6 9 5 1 5 9 4 2 6 8 4 2 6 8 4 2 6 7 4 2 6 7 3 3 7 7 3 3 7 7 3 3 7 6 2 4 7 6 2 4 8 6 2 4 8 5 2 5 8 5 1 5 8 5 1 5 9 5 1 5 8 4 2 6 8 4 2 6 7 4 2 6 7 4 3 6 7 4 3 6 7 4 4 7 7 3 4 7 6 3 4 7 7 3 4 8 12 4 5 10 9 9 7 8 6 7 8 11 11 14 50 23 28 100 36 34 18 27 22 13 6 3 7 10 4 2 7 8 4 2 6 8 4 3 7 7 3 3 7 7 3 3 7 6 3 3 7 6 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 6 7 3 3 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 4 7 5 2 5 7 5 2 5 8; 1HNMR: 85 85 t 1H J 22 | 84 83 t 1H J 22 | 83 83 t 1H J 21 | 73 72 d 1H J 40 | 72 71 dt 1H J 9 40 | 54 54 d 2H J 7 | 39 39 s 2H | 36 35 q 2H J 55 | 33 33 t 4H J 66 | 17 16 qt 4H J 66 78 | 12 12 t 3H J 56 | 9 8 t 6H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C[C@H](O)C(=O)OCC(=O)OCc1ccccc1
ir: 3 4 10 6 5 5 4 5 9 5 5 4 2 4 5 3 2 3 8 18 26 41 18 10 11 4 3 2 3 2 3 5 7 2 1 3 2 2 8 8 4 6 3 3 2 1 2 2 2 2 2 2 2 2 2 3 2 1 1 1 1 1 2 3 2 3 3 2 2 6 6 2 3 4 3 4 8 10 7 22 9 4 4 4 3 2 4 8 6 7 18 18 13 14 7 2 6 4 5 3 2 2 2 2 2 1 1 1 2 2 8 2 1 2 2 1 1 2 2 5 3 3 3 4 6 3 6 3 5 3 2 3 3 2 2 3 3 2 2 1 2 5 11 60 11 9 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 3 2 2 3 3 2 3 4 7 5 8 7 9 2 2 5 3 7 21 35 36 100 17 4 3 3 1 0 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 m 4H | 73 73 m 1H | 52 51 s 2H | 48 47 d 2H J 60 | 46 46 d 1H J 62 | 44 44 td 1H J 64 86 | 29 28 m 1H | 26 25 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc2n[nH]c(=O)n2c(C)n1
ir: 2 2 3 2 2 3 5 3 1 2 2 1 1 2 3 3 4 3 5 3 5 4 3 3 1 2 2 1 1 2 2 1 1 3 4 3 1 2 3 6 4 3 2 2 2 3 3 2 2 2 2 1 2 2 4 4 4 7 6 3 4 3 13 4 6 4 3 3 3 3 6 8 12 40 45 5 12 3 2 1 2 3 1 2 3 2 1 1 2 2 6 7 3 2 1 2 3 6 3 2 4 3 1 1 3 15 20 3 3 3 3 5 4 3 3 3 8 4 3 2 3 2 1 2 3 3 2 2 4 7 3 4 8 20 19 19 38 20 5 2 2 3 3 1 24 100 48 7 4 0 1 3 2 0 1 3 2 1 3 10 3 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 3 3 2 2 3 2 1 2 3 3 2 3 3 4 3 7 8 6 3 3 4 2 1 2 3 7 10 38 76 63 4 3 3 2 1 2 4 2 2 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 65 65 t 1H J 13 | 27 26 td 2H J 13 67 | 26 26 s 3H | 17 16 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNCC(O)COc1ccc(N)cc1
ir: 24 13 40 20 0 17 11 12 10 7 7 6 7 8 11 6 9 6 8 8 5 4 4 3 3 3 4 3 4 3 3 3 3 2 4 7 4 6 4 3 6 3 4 10 23 5 7 7 10 10 5 4 5 7 10 9 13 7 8 3 5 2 3 3 4 5 6 4 12 19 25 6 6 2 4 7 6 6 9 13 9 4 3 2 3 7 4 19 50 9 6 5 3 2 2 2 2 3 3 3 4 2 2 4 8 7 24 5 2 3 7 15 26 15 5 3 2 2 7 3 3 5 5 3 2 4 3 4 2 2 3 2 2 2 3 3 4 6 2 2 2 3 2 2 2 2 2 3 2 3 5 9 12 5 18 32 100 26 5 2 2 3 4 12 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 2 1 2 3 3 2 3 3 4 4 3 4 7 6 10 15 14 4 3 4 2 3 14 27 3 2 2 2 2 1 3 4 4 41 81 47 10 6 3 2 3 2 2 3 13 36 24 9 4 3 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 68 67 m 2H | 65 64 m 2H | 41 40 m 2H | 40 40 d 1H J 56 | 39 38 dd 1H J 53 125 | 37 37 s 2H | 32 32 p 1H J 59 | 31 30 ddd 1H J 53 61 132 | 29 28 ddd 1H J 52 60 130 | 27 26 m 2H | 17 16 dpd 1H J 19 67 114 | 9 9 dd 6H J 35 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1
ir: 6 5 4 8 11 27 21 22 8 6 5 6 3 6 7 5 3 6 12 12 5 3 2 2 2 5 3 0 3 8 13 7 7 13 23 2 2 3 1 1 1 2 1 0 1 7 4 0 1 2 3 0 1 1 1 1 1 5 4 7 14 11 4 4 11 9 7 16 8 6 5 5 4 5 6 3 5 3 4 5 6 4 4 3 4 10 5 7 10 11 5 4 6 3 2 3 4 8 8 4 5 4 4 4 5 4 3 4 4 2 3 7 7 9 3 7 7 18 11 20 21 13 9 8 3 4 4 7 15 17 8 15 9 23 6 3 4 3 4 28 13 12 7 3 2 2 2 8 20 19 100 72 4 5 3 2 1 1 1 2 3 4 33 9 2 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 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 1 1 1 0 1 2 3 3 1 3 4 2 3 3 2 1 2 3 3 8 15 12 11 23 8 10 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 d 1H J 57 | 78 77 dd 1H J 22 57 | 73 72 d 1H J 21 | 41 41 s 3H | 40 40 s 2H | 37 36 m 9H | 11 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1
ir: 3 10 7 4 4 3 3 2 2 2 3 3 2 9 4 5 2 9 2 2 2 2 4 1 2 3 1 8 5 4 9 5 16 6 7 5 2 11 8 25 7 16 5 2 4 9 10 9 4 5 3 0 2 2 1 0 1 3 3 1 2 1 4 7 6 3 4 32 14 8 1 4 2 3 2 3 5 2 4 2 5 9 22 34 18 5 3 2 9 4 1 1 3 3 2 1 5 7 33 100 16 14 19 10 3 2 4 4 3 20 54 7 32 25 8 11 5 10 5 6 6 5 2 2 2 11 5 12 17 23 9 5 5 7 3 28 4 6 2 3 4 3 11 35 51 17 8 27 16 6 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 3 5 3 2 2 2 2 3 2 2 9 15 17 39 28 4 3 1 2 2 2 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 t 1H J 22 | 78 78 d 2H J 22 | 73 73 m 2H | 73 72 m 1H | 72 72 m 2H | 41 40 tdd 1H J 35 62 88 | 38 37 ddd 1H J 38 65 115 | 37 37 s 2H | 37 36 ddd 1H J 38 64 113 | 34 33 m 2H | 31 30 dd 1H J 35 110 | 30 29 m 2H | 29 28 m 2H | 28 27 ddt 1H J 9 86 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)CCn1c2ccccc2c2ccccc21
ir: 6 3 3 4 1 3 3 2 1 1 2 1 1 2 4 3 1 5 3 1 2 2 1 1 2 5 3 8 7 8 3 1 2 2 2 1 1 2 2 6 3 16 100 38 13 8 3 3 3 1 1 1 3 5 1 0 1 2 4 2 1 1 1 1 1 2 1 2 4 3 2 2 3 19 9 4 2 2 1 1 2 2 2 26 4 2 4 9 2 2 1 1 1 1 1 2 2 2 2 2 3 1 2 1 2 1 1 1 2 1 2 2 2 4 6 2 4 8 3 4 2 4 4 4 13 7 8 2 2 2 2 4 3 2 7 4 16 24 19 11 4 16 10 2 2 4 7 16 10 4 9 4 1 3 2 1 1 1 2 6 4 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 2 5 2 3 2 2 3 2 2 6 15 12 9 37 99 54 11 4 5 3 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 dd 2H J 10 79 | 75 74 m 1H | 74 73 m 3H | 73 72 dddd 2H J 12 65 73 117 | 44 44 t 2H J 58 | 33 33 q 4H J 73 | 27 26 t 2H J 58 | 12 11 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(CF)cc(C(=O)N(C)Cc2nc(C)cs2)c1
ir: 30 12 5 5 8 16 14 6 5 5 3 3 2 2 3 3 4 3 2 2 1 5 4 6 4 12 9 7 4 4 6 17 23 30 6 6 2 2 3 4 5 5 5 6 7 30 3 1 2 3 2 1 5 3 2 2 2 2 3 1 3 7 10 25 21 27 26 9 20 35 23 13 10 6 10 18 7 27 21 5 3 2 3 1 4 25 28 27 33 11 5 4 3 6 33 36 20 13 14 20 14 29 5 2 11 73 15 9 3 5 3 3 9 3 9 5 9 14 20 16 9 16 25 45 15 12 24 58 16 19 16 5 3 5 6 41 29 15 1 68 7 7 8 19 28 8 5 0 2 2 3 12 2 2 4 1 1 1 1 0 1 2 1 0 3 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 3 4 5 15 9 4 10 12 12 16 5 6 9 15 12 22 61 58 49 38 82 100 23 9 7 11 7 3 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 t 1H J 21 | 80 80 tt 1H J 11 21 | 79 78 tq 1H J 10 21 | 68 68 d 1H J 8 | 56 55 d 1H J 9 | 54 54 d 1H J 9 | 47 47 s 2H | 39 39 s 3H | 31 31 s 3H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(CN=[N+]=[N-])COS(=O)(=O)c1ccc(C)cc1
ir: 7 11 14 13 9 13 10 11 14 12 7 24 7 10 8 10 8 7 7 8 8 8 6 10 7 12 6 5 5 6 5 8 5 6 15 29 10 6 4 5 5 4 5 5 5 6 6 5 9 6 5 5 9 13 8 8 5 5 5 6 5 7 7 5 59 3 15 12 19 15 17 60 9 11 6 4 8 7 7 3 9 45 5 5 80 0 9 11 100 5 6 6 5 11 17 8 11 6 11 18 12 9 10 8 5 7 6 7 6 5 6 5 6 6 5 5 6 6 9 14 8 10 13 14 16 41 10 7 5 7 5 5 5 5 5 4 4 5 5 4 5 5 5 6 36 7 15 13 5 9 5 5 6 6 5 4 4 5 5 4 6 6 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 6 2 14 5 4 5 5 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 6 6 6 6 4 7 6 7 5 6 6 8 9 9 11 10 24 26 31 9 7 7 7 5 5 5 5 5 6 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4; 1HNMR: 76 76 m 2H | 75 74 dq 2H J 8 77 | 50 49 p 1H J 48 | 45 45 dd 1H J 48 126 | 43 43 dd 1H J 48 125 | 39 38 dd 1H J 48 112 | 37 36 dd 1H J 48 112 | 24 24 d 3H J 8 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2cccc(N[C@@H]3CC[C@@H](O)CC3)n2n1)c1cccnc1
ir: 3 3 4 6 4 4 3 4 1 5 3 3 1 1 1 2 2 1 2 4 5 5 4 4 2 12 3 13 7 3 8 6 9 6 26 9 3 12 11 5 5 3 14 4 4 2 2 1 2 3 3 4 5 14 8 27 7 38 23 4 3 1 3 1 3 1 2 3 2 8 4 1 2 1 2 3 4 10 6 7 3 5 5 3 30 7 10 11 21 15 10 5 3 3 2 5 7 2 2 1 1 1 1 2 2 3 5 4 4 6 7 10 6 68 5 4 4 3 3 2 4 7 25 3 1 3 4 2 1 3 3 7 18 8 1 6 6 14 100 14 9 5 11 2 1 9 19 23 6 3 3 2 26 40 3 17 8 3 2 2 9 11 1 3 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 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 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 2 2 3 4 2 5 2 2 5 3 2 4 5 6 11 7 14 19 8 6 4 2 4 6 5 3 1 1 2 3 1 1 1 4 2 3 8 28 8 20 78 69 19 3 6 2 2 2 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; 1HNMR: 92 91 t 1H J 17 | 87 87 ddd 1H J 16 26 45 | 83 82 dt 1H J 23 79 | 77 76 dd 1H J 13 86 | 75 74 dd 1H J 48 79 | 74 74 dd 1H J 80 87 | 68 68 dd 1H J 14 79 | 68 67 d 1H J 77 | 38 37 tdt 1H J 42 59 68 | 37 36 dtt 1H J 28 57 78 | 29 28 d 1H J 59 | 19 16 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C(c1ccc2nc(Br)sc2c1)n1ccnc1)N(C)CC
ir: 5 8 3 29 4 5 3 5 3 2 5 22 2 2 3 3 6 2 7 3 6 3 4 2 2 2 4 2 2 6 6 2 37 3 4 5 4 5 5 5 9 6 27 10 25 17 6 5 4 4 5 2 6 49 16 12 4 17 9 4 4 4 9 0 13 6 40 9 9 6 16 10 6 4 5 7 15 5 7 5 7 9 8 20 24 3 5 5 10 26 8 4 3 3 2 29 10 9 29 5 3 3 5 15 35 19 8 7 3 4 6 6 19 17 4 7 7 25 26 14 17 15 9 8 18 14 10 7 5 5 4 3 3 7 13 5 7 5 6 4 4 41 5 2 2 3 3 2 3 4 11 7 7 6 3 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 8 6 4 7 7 9 6 5 8 8 9 14 10 35 51 26 38 59 60 100 24 17 6 2 9 5 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 2 2 2 2 2 2; 1HNMR: 78 77 dd 1H J 11 19 | 77 77 m 2H | 73 72 m 1H | 72 72 m 1H | 71 70 dd 1H J 17 42 | 54 53 dt 1H J 9 59 | 32 31 dddp 1H J 15 45 59 73 | 27 26 dq 1H J 77 123 | 26 25 dq 1H J 76 123 | 23 23 d 3H J 15 | 17 16 dqd 1H J 58 68 112 | 15 14 dqd 1H J 58 68 112 | 11 11 t 3H J 76 | 9 9 td 3H J 15 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CN1CC(=O)N(CN2CCOCC2)C(=O)C1)N1CC(=O)N(CN2CCOCC2)C(=O)C1
ir: 5 5 6 5 17 11 8 19 7 8 6 11 14 8 10 9 9 12 6 5 6 9 7 9 26 18 6 8 6 5 8 46 12 21 9 5 5 4 5 7 9 17 10 10 22 12 10 3 4 5 8 6 16 20 10 14 18 36 11 9 5 5 5 6 9 6 5 6 11 16 7 8 14 25 6 7 7 6 10 10 100 32 11 17 18 18 31 53 17 10 8 5 9 8 5 9 5 11 11 22 14 15 9 6 7 5 7 8 8 5 6 10 8 12 8 6 9 6 5 9 9 10 13 14 17 19 7 7 9 8 12 8 6 7 15 8 10 5 4 4 4 4 5 5 4 6 8 0 70 5 4 15 19 77 13 7 5 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 3 4 4 4 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 3 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 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 5 4 4 4 5 9 12 8 7 6 5 5 5 7 14 34 14 6 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 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 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 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 44 44 s 3H | 37 36 d 2H J 130 | 36 35 m 11H | 35 34 d 2H J 130 | 34 33 d 2H J 130 | 32 31 dd 1H J 55 111 | 31 30 qt 1H J 55 75 | 28 27 dd 1H J 55 110 | 25 24 m 8H | 11 11 d 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc2ccc(I)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1
ir: 2 3 3 4 4 4 14 8 6 9 9 3 3 5 7 3 4 4 5 7 7 7 14 3 3 3 15 8 5 10 3 2 3 4 5 10 2 3 3 4 15 8 10 5 3 5 6 8 11 18 12 5 9 7 27 40 83 20 14 15 11 7 3 0 3 6 8 3 13 53 4 8 14 5 3 2 4 6 5 1 4 5 11 9 6 6 8 3 9 4 3 3 6 25 7 10 7 4 5 6 6 3 2 2 3 11 4 5 22 5 1 5 5 17 3 4 5 5 6 6 6 6 2 3 7 11 20 7 5 5 7 11 5 3 2 4 4 2 1 4 4 3 4 13 10 20 11 29 87 41 10 7 36 100 10 2 27 2 2 4 3 4 2 3 3 19 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 3 3 2 2 3 3 3 4 3 3 4 4 4 6 5 14 20 51 85 62 41 8 7 5 5 4 3 6 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 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 91 91 d 1H J 16 | 83 83 dd 1H J 7 18 | 82 81 d 1H J 16 | 78 78 m 2H | 76 75 m 2H | 73 73 dt 2H J 9 81 | 40 39 d 5H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc2c1C(=O)N(CCN1CCN(c3ccncc3)CC1)C2=O)c1ccc(Cl)s1
ir: 9 2 2 6 4 3 1 2 4 3 2 4 4 3 2 3 4 3 1 2 2 1 0 2 2 3 2 3 6 1 2 4 9 6 5 4 4 5 9 5 13 24 17 13 6 6 45 19 20 3 60 17 4 7 3 0 2 4 9 6 12 22 3 2 8 2 4 3 6 2 6 14 11 4 4 4 2 2 6 3 30 13 5 2 3 10 3 2 3 2 3 2 2 2 2 2 4 6 9 4 2 5 3 2 1 2 2 7 16 2 2 13 5 3 9 8 1 3 3 4 10 32 2 2 2 2 1 1 2 7 16 4 2 5 5 10 2 3 3 2 2 4 10 26 16 2 4 19 12 9 6 6 15 5 100 4 6 3 23 5 13 22 4 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 2 2 2 2 1 2 3 7 6 13 21 46 25 36 2 3 5 2 2 2 2 2 1 1 1 2 1 2 2 2 2 3 18 15 32 9 6 6 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 m 1H | 82 82 m 2H | 77 76 m 2H | 74 74 d 1H J 68 | 71 70 d 1H J 68 | 66 66 m 2H | 40 40 t 2H J 38 | 33 32 m 4H | 29 29 t 2H J 38 | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCc2c(Cc3ccc(Cl)cc3)cccc21
ir: 4 2 0 2 4 3 2 5 13 13 2 5 5 4 3 3 3 1 1 3 3 1 0 2 2 1 2 4 5 3 1 4 3 1 1 4 6 3 3 6 4 3 2 4 9 12 7 12 13 26 9 10 5 2 8 18 43 11 9 3 3 1 2 3 2 1 2 2 10 6 2 5 3 2 3 3 1 1 2 3 1 2 4 3 1 2 5 3 6 15 18 3 7 15 27 8 2 2 3 3 0 1 3 2 0 3 12 11 4 2 4 3 4 2 3 2 2 3 4 2 4 5 6 8 2 3 3 2 1 3 3 1 1 3 5 12 5 3 6 7 23 10 3 2 3 6 45 19 5 5 4 5 7 6 2 1 8 8 4 1 1 2 2 0 1 3 2 0 1 3 1 0 1 2 1 0 1 3 1 9 15 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 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 2 1 0 2 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 2 3 4 4 2 4 4 5 7 5 7 19 16 70 100 54 8 12 9 2 2 2 5 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 73 m 2H | 73 72 dt 1H J 8 80 | 72 71 m 2H | 72 71 q 1H J 11 | 70 70 dq 1H J 10 77 | 41 40 t 2H J 10 | 40 40 t 1H J 44 | 31 30 ddd 1H J 45 63 154 | 30 29 ddd 1H J 45 63 154 | 25 24 ddt 1H J 45 64 123 | 23 22 ddt 1H J 45 64 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)OC3=O)c3ccccc32)C1
ir: 3 4 5 4 4 2 10 4 5 2 3 2 6 3 1 6 7 2 2 2 5 2 1 3 4 1 1 3 3 3 2 3 12 5 2 4 4 3 2 3 4 9 40 26 11 1 5 14 7 11 2 4 2 0 2 4 2 0 3 4 3 0 2 4 3 3 8 18 5 2 4 5 6 2 5 9 4 4 3 3 2 1 3 5 15 5 3 3 1 4 3 3 1 1 3 3 1 2 5 5 7 6 4 10 2 6 6 10 5 7 6 3 1 3 7 4 11 11 6 4 2 5 8 7 4 5 9 7 2 3 6 2 7 5 4 2 1 8 7 5 7 5 4 4 100 9 30 6 38 2 3 8 3 4 3 5 2 2 2 1 3 4 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 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 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 1 6 5 4 4 3 5 4 1 3 6 6 4 8 42 33 10 9 7 4 2 3 3 2 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 79 m 1H | 79 78 dd 1H J 14 74 | 75 75 s 1H | 74 73 m 2H | 72 71 m 3H | 71 71 td 1H J 13 68 | 43 42 dd 1H J 49 113 | 41 40 m 2H | 40 39 ddd 1H J 37 63 143 | 38 38 s 3H | 31 30 dd 1H J 60 148 | 28 27 dd 1H J 60 148 | 24 23 tt 1H J 50 64 | 20 19 m 3H | 17 16 dddd 1H J 37 56 64 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(CO)c1ccc(F)c(F)c1
ir: 4 5 5 3 8 4 8 4 3 9 3 6 6 2 9 4 4 6 4 2 1 3 7 6 8 23 26 17 100 52 25 12 9 5 9 8 2 6 13 4 2 2 1 2 1 1 2 1 1 2 2 1 2 8 10 5 4 4 3 2 2 4 3 3 10 22 10 9 4 4 1 2 2 2 2 1 2 3 7 7 3 2 2 3 3 10 23 18 25 5 10 6 7 15 2 22 70 12 10 10 3 3 4 2 2 3 6 12 5 4 1 2 3 1 3 4 3 2 6 4 4 4 6 2 1 6 8 11 9 7 5 15 4 2 2 2 2 3 2 3 12 37 9 27 86 38 5 4 13 43 57 7 6 10 2 3 2 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 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 2 1 2 2 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 2 2 3 4 2 1 2 1 1 6 6 10 6 25 6 11 20 25 16 11 18 64 35 22 47 17 8 4 2 4 2 3 2 2 3 2 1 2 4 6 51 48 18 4 4 4 3 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 71 71 m 1H | 58 57 d 1H J 79 | 49 48 m 1H | 40 39 ddd 1H J 42 55 123 | 38 37 ddd 1H J 43 57 124 | 34 33 t 1H J 56 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Nc1nc2ncc(-c3ccc(F)cc3)cc2c(=O)[nH]1
ir: 7 1 1 0 0 1 5 1 10 1 5 1 0 1 1 1 3 1 2 4 3 2 1 1 0 1 1 0 0 1 1 0 1 5 1 0 0 1 1 0 1 1 1 1 1 7 4 4 3 2 1 8 45 100 25 7 7 26 5 2 2 6 33 2 1 1 1 0 3 3 2 2 1 1 1 0 1 1 1 1 2 3 12 10 1 1 1 1 1 1 1 1 1 1 0 4 3 1 0 1 4 1 0 1 1 1 0 1 2 1 2 5 1 1 0 1 2 2 2 5 8 4 2 2 1 1 0 4 8 10 10 3 1 1 0 10 2 1 1 1 1 2 8 2 1 1 1 39 3 2 2 4 12 26 9 9 6 4 6 45 10 97 15 6 9 3 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 2 2 4 9 7 11 37 14 4 4 2 1 1 1 0 1 1 1 1 2 2 1 1 1 1 2 5 4 4 16 64 36 51 22 4 4 5 1 1 1 1 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 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: 94 94 s 1H | 90 89 d 1H J 16 | 88 88 d 1H J 16 | 76 75 m 3H | 72 71 m 2H | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H](CCOCc1ccccc1)C(C)(C)C#N
ir: 2 2 1 1 1 7 1 2 1 2 2 2 2 1 1 1 1 1 8 1 1 3 3 5 2 1 1 3 1 1 8 3 2 3 2 1 3 2 3 23 21 2 4 1 2 2 2 1 0 1 1 0 0 1 1 0 1 1 1 1 2 1 3 9 2 2 11 19 4 4 4 1 7 1 4 3 3 9 11 1 1 1 0 1 1 1 0 0 3 3 1 2 2 2 5 2 2 3 3 1 4 7 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 3 5 4 3 7 5 4 3 7 7 10 3 1 7 2 3 4 1 8 2 1 1 1 1 4 27 7 100 5 8 2 1 1 1 8 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 2 3 1 1 3 1 1 2 2 4 5 3 12 21 12 11 9 19 10 3 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 48 47 tdt 1H J 15 29 68 | 45 44 d 2H J 9 | 37 36 dt 1H J 49 112 | 36 35 dt 1H J 49 112 | 21 20 ddt 1H J 49 68 141 | 20 20 s 2H | 19 18 ddt 1H J 48 68 141 | 15 14 d 3H J 14 | 14 14 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(CCCN2CCC(=NO)CC2)OC2CCCCO2)cc1
ir: 7 18 5 10 21 22 23 26 28 29 36 82 17 11 31 5 19 16 4 6 6 11 2 3 4 2 3 2 29 5 3 2 2 2 2 1 0 2 3 12 11 1 1 1 2 4 2 2 5 7 3 5 10 20 64 18 15 5 6 6 12 8 12 7 6 10 4 11 37 15 18 15 11 16 6 25 100 10 10 16 79 19 7 4 1 12 4 4 17 35 14 7 9 11 34 12 10 24 55 18 11 3 3 5 2 3 9 11 11 12 14 9 26 13 7 8 8 6 5 9 7 6 5 7 4 4 6 9 18 23 30 18 14 6 6 3 2 1 2 1 1 1 2 1 2 4 8 29 25 9 11 16 3 7 8 2 1 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 4 4 13 7 9 9 4 4 6 7 10 1 19 23 41 83 33 6 5 3 3 4 7 81 31 4 3 3 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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; 1HNMR: 92 91 s 1H | 73 72 m 2H | 72 72 m 2H | 49 48 t 1H J 35 | 46 45 m 1H | 38 38 m 1H | 36 36 m 1H | 28 28 m 4H | 27 25 m 6H | 21 20 dtd 1H J 62 93 141 | 19 15 m 9H | 14 13 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)N2CCCCC2)cc1
ir: 2 4 3 3 2 2 2 1 1 3 2 3 5 5 2 2 2 5 2 2 8 8 4 5 7 18 17 20 13 6 5 3 3 2 2 3 5 3 3 18 46 69 9 3 5 6 3 10 4 3 4 5 3 3 21 38 32 4 8 1 5 4 3 5 2 2 2 2 23 11 2 2 9 2 9 2 6 3 4 8 2 2 4 11 4 25 5 4 2 11 4 1 4 5 1 2 3 5 3 7 5 5 3 3 2 2 4 14 19 5 2 2 8 5 7 3 4 6 9 3 6 5 5 6 53 5 3 7 5 3 3 6 5 30 7 6 3 2 3 5 7 3 4 3 3 2 2 9 23 16 3 3 6 4 7 8 100 2 7 5 3 0 27 10 14 1 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 2 1 2 2 3 2 3 2 2 1 2 3 2 7 14 13 40 16 16 67 13 10 3 4 3 2 1 2 4 2 2 2 2 2 2 4 6 3 6 9 22 26 11 6 2 3 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 78 d 1H J 57 | 77 77 d 1H J 84 | 75 75 m 3H | 73 72 m 2H | 71 70 d 1H J 86 | 38 38 s 2H | 36 36 m 1H | 29 28 ddd 2H J 36 59 119 | 26 25 ddd 2H J 36 60 119 | 17 15 m 7H | 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.
CC(=Cc1ccccc1)CBr
ir: 0 1 1 1 1 1 1 5 3 2 2 1 3 4 2 9 5 2 3 1 1 2 1 0 1 1 2 2 2 8 10 61 26 14 7 1 2 6 9 23 33 9 8 2 2 2 3 14 3 2 4 3 1 1 1 1 1 1 1 1 2 3 8 10 3 3 3 2 48 4 4 4 1 2 2 3 13 9 8 1 1 1 1 2 1 1 1 1 2 1 2 6 5 7 4 1 2 1 1 2 3 8 33 6 6 5 6 6 3 1 0 1 2 2 0 7 7 8 10 14 8 5 5 3 2 4 1 2 2 3 2 2 2 5 13 66 5 3 1 3 2 14 22 14 13 4 1 2 1 2 5 11 7 3 2 1 1 1 1 1 1 0 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 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 2 2 1 1 2 2 6 2 3 3 3 2 8 7 21 22 18 61 100 51 42 21 6 1 3 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 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 5H | 65 65 h 1H J 14 | 40 39 d 2H J 13 | 19 18 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2F)[C@H](Cc2ncccc2C(=O)NC2CC2)OC1(C)C
ir: 5 6 4 3 2 4 3 3 3 4 4 5 4 2 2 4 3 2 6 4 2 2 2 5 7 3 2 1 1 4 5 2 1 3 5 3 5 4 6 10 23 33 22 22 9 2 3 1 2 3 3 3 2 2 2 2 1 2 1 1 1 2 5 2 1 0 1 1 5 8 1 2 1 2 5 7 1 2 1 1 1 1 2 2 4 4 8 2 1 2 4 1 2 3 2 2 4 3 4 5 2 4 3 1 2 2 2 3 2 3 1 4 3 5 2 2 3 2 1 6 4 2 3 3 3 4 3 9 11 17 10 6 6 12 0 8 28 13 21 4 2 2 2 5 8 12 23 8 6 6 41 100 3 4 5 11 2 4 12 1 2 4 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 4 4 4 12 15 14 7 25 20 6 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 17 29 7 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 0 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 0 1 1 1 0 1 1 1 0; 1HNMR: 86 86 dd 1H J 20 44 | 81 80 dd 1H J 22 81 | 74 74 dd 1H J 44 81 | 73 71 m 4H | 71 71 ddd 1H J 14 77 101 | 46 45 dt 1H J 55 66 | 44 43 td 1H J 66 81 | 35 34 dd 1H J 55 165 | 33 32 dd 1H J 55 167 | 31 30 m 2H | 29 28 dddd 1H J 8 35 81 140 | 16 16 s 2H | 15 14 d 11H J 75 | 10 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.
CC1CCC(Cc2ccc(Cl)cc2)C1=O
ir: 10 8 7 5 5 6 6 10 10 17 9 11 12 11 15 8 23 17 20 14 4 11 9 22 33 11 7 3 3 5 5 3 6 9 8 3 3 6 6 8 25 19 14 7 9 10 10 11 7 9 11 11 14 35 90 60 35 12 14 7 7 7 7 4 4 7 4 0 19 52 6 4 8 9 7 4 9 5 3 3 5 5 3 3 5 8 8 7 6 11 7 8 5 11 17 69 6 7 8 8 12 14 14 10 15 12 10 17 19 18 12 16 28 18 22 13 16 12 12 12 12 16 9 15 15 12 7 7 8 4 4 8 7 7 9 9 8 3 3 9 10 5 12 80 76 22 37 22 18 10 7 16 43 7 6 5 5 4 5 4 4 3 4 5 4 3 4 5 4 2 4 5 4 3 4 5 4 2 4 5 3 2 4 5 3 3 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 2 3 5 4 3 3 5 4 2 3 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 4 5 5 3 4 5 4 4 3 7 6 4 5 6 9 11 8 8 13 20 26 21 11 13 52 20 67 100 55 31 22 37 17 6 8 14 8 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 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 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 2 3 4 4 2 3 5; 1HNMR: 73 72 m 2H | 72 71 dt 2H J 9 80 | 30 29 ddt 1H J 9 64 134 | 28 26 m 2H | 25 24 qt 1H J 48 59 | 19 18 m 2H | 16 15 m 2H | 11 10 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1OC(=O)OCC(C)(C)CO
ir: 12 14 14 6 10 5 6 5 3 3 7 3 7 3 5 6 2 2 3 1 3 2 2 1 2 2 1 1 2 3 3 2 2 1 1 1 2 2 3 7 8 18 100 57 41 6 3 4 4 4 3 1 2 2 2 2 2 4 3 3 4 4 4 6 5 7 4 4 5 4 7 6 5 6 5 5 4 3 3 2 3 3 4 16 14 13 21 35 28 54 33 6 9 13 13 7 7 4 1 2 5 6 6 9 4 3 1 1 2 2 1 2 5 20 35 9 2 6 8 14 8 3 2 3 4 3 3 4 3 5 4 4 2 2 1 3 12 7 4 3 5 19 20 16 4 9 27 40 40 36 5 6 2 0 2 2 2 1 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 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 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 2 2 1 1 3 7 5 6 3 3 3 3 4 3 4 5 5 8 14 15 16 39 90 28 16 5 3 8 20 13 79 17 9 7 5 3 5 3 2 4 7 6 2 5 5 4 4 3 3 2 2 2 4 2 4 3 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 m 1H | 71 71 ddd 1H J 25 61 80 | 70 69 m 2H | 42 42 s 2H | 38 38 s 3H | 35 35 d 2H J 64 | 31 31 t 1H J 63 | 10 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(Cc1ccccc1)c1ncnc2c(N3CCS(=O)CC3)nc(NCCO)nc12
ir: 6 8 7 11 4 7 13 4 8 4 4 8 5 7 2 6 6 3 6 11 5 3 8 6 5 6 11 33 27 33 13 14 10 11 7 33 31 44 37 14 6 11 13 0 8 7 8 8 7 6 4 2 3 6 6 5 3 3 3 5 3 6 3 3 5 3 6 7 9 6 4 4 2 3 3 3 3 5 8 8 5 5 4 6 20 7 4 13 12 5 6 3 10 6 11 8 23 13 16 11 12 6 4 6 12 10 71 12 11 9 10 6 5 4 3 3 4 5 3 10 7 9 7 12 16 4 5 7 13 6 2 4 6 4 4 8 10 4 8 21 57 10 16 18 27 100 21 5 7 8 5 0 16 35 1 3 2 1 3 3 2 11 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 6 6 3 3 3 2 3 4 7 8 4 9 36 12 6 26 59 17 6 5 3 4 4 3 2 3 3 2 3 2 3 2 3 3 7 10 8 19 67 11 3 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 s 1H | 73 72 m 3H | 73 72 s 2H | 62 62 t 1H J 51 | 47 47 s 2H | 43 42 m 4H | 40 40 t 1H J 55 | 38 37 q 2H J 53 | 37 36 m 4H | 29 29 m 4H | 17 16 p 2H J 70 | 14 13 h 2H J 72 | 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.
CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)OCCO1
ir: 15 4 6 8 5 9 8 12 27 17 21 3 1 4 5 4 9 5 4 4 3 2 3 2 2 2 3 9 3 6 4 9 4 19 20 8 2 4 3 3 3 3 3 2 7 4 13 40 88 53 6 13 3 8 15 60 14 5 3 4 3 4 5 3 9 3 6 20 32 15 10 8 6 11 17 7 4 7 5 3 2 5 11 2 3 2 16 13 3 2 2 3 3 14 4 3 1 1 3 2 3 100 13 5 6 6 22 18 10 4 1 3 8 3 2 3 7 9 5 8 5 5 6 12 14 7 18 10 8 4 6 8 4 3 12 4 4 2 1 3 4 3 2 7 37 10 12 24 36 8 94 46 8 11 6 41 5 5 3 0 2 5 7 21 5 6 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 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 2 1 1 1 2 2 1 2 1 1 2 1 1 1 2 1 1 1 1 2 2 1 2 2 2 2 1 2 2 2 2 4 5 4 3 3 3 3 7 4 4 5 3 7 4 6 33 11 15 17 23 3 3 4 3 3 8 9 2 2 2 3 2 3 3 2 2 1 4 5 2 5 20 92 75 17 6 17 5 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 s 1H | 82 81 d 1H J 21 | 76 76 dd 1H J 22 82 | 75 75 d 1H J 81 | 50 49 hept 1H J 58 | 44 43 m 2H | 43 43 m 2H | 20 20 s 2H | 14 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1
ir: 7 3 26 19 5 3 0 1 1 1 1 4 3 1 8 8 2 1 1 6 6 2 0 1 2 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 12 17 17 12 7 2 0 1 2 12 8 1 0 1 1 5 1 1 4 4 2 1 3 3 2 8 8 8 5 15 58 26 8 23 21 22 17 3 5 5 2 1 1 2 5 4 2 5 2 0 1 1 1 1 1 1 1 2 2 2 3 3 7 8 33 26 43 20 6 4 4 12 3 0 1 2 0 1 1 2 1 1 2 3 7 8 2 2 1 1 11 1 1 1 1 2 8 5 1 5 1 0 1 1 1 1 1 1 0 3 1 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 2 5 6 28 22 5 7 1 1 2 1 1 1 2 2 0 1 1 1 1 1 8 37 7 12 7 10 100 50 12 8 4 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 79 m 2H | 77 76 m 2H | 76 75 q 2H J 16 | 75 75 m 2H | 72 72 s 2H | 72 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
ir: 0 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 1 1 0 1 1 0 0 1 1 3 4 5 6 10 3 2 6 3 3 6 6 4 4 2 3 11 6 1 1 1 1 1 2 5 3 4 6 3 1 1 1 2 1 3 1 0 0 1 1 2 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 2 2 5 2 3 2 1 4 9 5 2 4 19 6 2 2 0 0 1 1 3 0 0 1 1 5 1 3 2 4 1 1 0 0 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 6 21 8 1 1 1 1 0 0 1 1 0 2 3 4 5 5 4 2 2 3 5 4 17 100 7 3 2 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 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 d 1H J 79 | 72 71 dt 1H J 9 19 | 71 71 ddt 1H J 9 20 79 | 70 69 dt 1H J 9 87 | 68 68 dd 1H J 8 21 | 67 67 dd 1H J 22 86 | 38 38 s 2H | 33 32 dtt 1H J 42 51 62 | 32 31 m 2H | 30 29 m 2H | 29 28 m 1H | 20 19 dddd 1H J 44 60 86 145 | 18 17 dddd 1H J 44 60 86 145 | 14 13 d 2H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)/C=C/c1ccc(C2c3ccc(O)cc3CCN2c2ccccc2)cc1
ir: 1 1 1 2 1 2 1 2 1 2 2 3 1 3 2 10 13 5 4 7 12 2 1 1 1 2 2 5 2 2 4 4 5 6 3 4 10 6 2 3 5 26 3 2 4 2 3 1 2 5 2 2 4 3 11 27 4 3 3 2 1 3 1 1 1 1 1 2 4 11 7 2 1 2 3 2 2 5 8 8 30 33 28 5 4 2 4 2 13 3 2 2 3 3 3 3 6 6 6 3 3 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 3 1 1 2 1 2 2 2 4 3 3 3 4 2 1 2 1 1 2 1 1 1 1 1 2 5 12 13 7 3 2 10 8 4 1 8 3 2 3 7 9 13 5 11 31 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 1 1 2 2 2 1 2 2 1 2 2 3 2 6 16 13 39 10 5 4 1 3 4 11 100 24 3 2 3 1 0 3 4 0 23 1 3 2 1 1 1 1 1 1 2 7 14 60 8 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 73 72 m 2H | 72 71 m 3H | 72 72 s 2H | 72 71 dd 1H J 7 89 | 69 69 m 3H | 69 68 tt 1H J 14 79 | 67 66 dd 1H J 21 89 | 66 66 dt 1H J 9 21 | 62 62 d 1H J 159 | 56 56 s 1H | 40 39 ddd 1H J 35 60 126 | 39 38 ddd 1H J 36 62 126 | 31 30 dddd 1H J 8 36 62 137 | 30 29 dddd 1H J 8 36 62 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N2[C@@H](CCc3ncc[nH]3)CC[C@H]2c2ccc(F)cc2)cc1
ir: 1 3 1 4 4 11 3 3 4 3 28 10 19 19 20 39 6 5 4 4 3 2 4 1 2 27 3 5 3 0 0 2 20 16 1 2 4 4 4 3 4 4 2 2 3 3 1 5 2 3 7 7 19 21 13 2 4 5 2 5 9 0 3 4 3 4 9 6 15 37 15 4 2 9 5 4 3 3 2 2 11 35 15 12 14 52 100 21 19 74 69 13 7 11 40 11 23 9 2 5 6 9 4 11 4 8 11 8 7 16 2 5 2 8 5 4 5 10 4 8 9 8 8 4 11 19 9 8 4 8 6 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 3 21 14 10 2 1 3 1 1 1 1 1 1 1 1 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 3 6 4 4 5 4 3 7 5 4 11 16 7 24 70 33 12 5 4 1 2 2 1 3 4 16 10 5 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 96 96 d 1H J 51 | 77 77 m 2H | 75 74 m 2H | 73 72 m 2H | 71 71 m 2H | 71 70 dd 1H J 28 50 | 69 69 d 1H J 29 | 46 46 m 1H | 36 35 tddt 1H J 16 46 63 80 | 27 27 dt 1H J 71 154 | 26 25 dt 1H J 71 152 | 24 24 d 3H J 8 | 23 22 m 1H | 21 21 m 1H | 21 19 m 2H | 19 18 dtd 1H J 46 66 114 | 18 17 dtd 1H J 45 64 111
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(-c3ccccc3)oc3ncnc(Nc4cccc(CC(=O)NN)c4)c23)cc1
ir: 2 2 2 4 7 1 3 3 2 9 6 9 2 2 5 6 0 4 4 4 8 5 3 5 6 5 14 7 8 12 14 25 18 14 26 18 19 11 9 2 49 21 12 31 16 4 14 29 11 21 7 6 7 17 8 7 42 3 6 5 16 10 48 46 42 27 14 27 22 24 12 1 3 2 2 3 2 2 3 2 3 6 6 13 20 19 5 14 14 4 3 5 2 2 2 5 5 5 10 37 8 5 20 5 8 11 24 2 5 2 1 1 2 2 1 2 8 3 4 3 2 3 2 3 5 9 6 5 5 5 4 17 49 57 10 7 6 7 8 3 7 6 5 11 4 16 27 15 39 60 15 7 8 6 73 9 13 5 100 16 7 5 3 20 72 9 2 2 1 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 1 1 2 2 2 3 2 1 3 4 4 9 8 18 27 66 41 17 6 8 5 1 4 5 2 0 4 4 3 6 10 9 9 6 5 11 23 29 83 13 33 36 16 11 3 2 3 4 2 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 s 1H | 83 83 s 1H | 83 82 t 1H J 39 | 78 77 m 2H | 75 75 m 2H | 75 74 m 5H | 73 72 t 1H J 76 | 71 70 ddq 1H J 10 21 77 | 70 69 m 2H | 40 39 d 2H J 38 | 38 38 s 2H | 35 35 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2Cl)c1
ir: 1 1 2 1 2 1 1 1 2 2 3 22 25 4 3 5 3 4 3 3 3 4 5 10 5 3 77 21 5 6 4 13 3 2 20 1 1 3 2 0 5 4 2 1 1 2 3 10 6 4 2 1 2 8 10 52 24 11 2 3 2 1 1 2 2 5 7 14 14 6 5 4 4 2 2 2 6 7 4 6 3 4 1 4 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 14 4 1 0 1 1 1 0 1 1 1 2 2 2 1 1 2 2 4 8 3 5 4 3 3 5 6 3 3 4 4 3 5 3 4 14 4 2 2 2 1 1 1 1 2 3 3 2 6 7 13 31 3 4 14 19 74 59 28 3 5 4 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 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 1 1 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 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 4 5 20 58 15 14 10 24 5 2 1 1 1 1 1 0 1 2 1 2 27 11 4 6 6 7 25 17 7 4 3 5 2 100 85 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 s 1H | 82 81 s 1H | 78 77 m 3H | 74 73 m 2H | 72 72 m 1H | 70 70 s 2H | 70 69 m 1H | 62 62 s 2H | 49 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(c2ccc(C(=O)OC(C)(C)C)cc2F)CC1
ir: 5 7 8 24 31 4 11 10 3 10 16 4 2 2 4 2 1 6 4 8 2 8 52 4 3 1 1 1 7 21 15 6 2 1 1 4 4 6 3 2 3 22 2 2 1 1 5 1 1 1 1 3 3 6 17 67 16 5 3 2 4 13 9 3 3 7 17 23 8 3 4 8 14 8 7 5 12 4 7 2 3 2 2 5 16 8 4 4 6 7 8 9 4 6 4 4 8 13 38 19 5 7 4 12 23 11 18 16 4 9 7 21 14 17 10 15 10 31 96 21 18 13 15 24 62 32 9 10 12 14 44 15 4 4 3 5 7 3 1 4 3 2 9 44 69 100 50 9 4 0 25 40 5 1 3 8 1 1 1 1 1 1 1 11 2 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 2 1 0 1 1 1 2 2 2 4 8 10 9 7 9 4 6 3 3 5 5 8 32 71 24 19 36 26 27 11 3 5 3 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 dd 1H J 22 121 | 77 76 dd 1H J 22 90 | 70 69 dd 1H J 47 90 | 42 41 q 2H J 63 | 35 34 ddd 2H J 58 84 123 | 34 33 ddd 2H J 57 84 124 | 28 27 p 1H J 60 | 23 22 ddt 2H J 59 84 126 | 20 19 ddt 2H J 59 84 126 | 16 15 s 7H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCOCC1
ir: 8 3 3 3 2 3 2 3 5 4 3 9 5 5 7 11 7 4 12 4 3 4 3 3 3 8 5 16 6 2 3 2 3 3 2 2 2 3 3 2 2 11 4 0 50 6 2 3 7 5 4 8 3 4 5 61 13 3 7 6 22 7 4 5 5 3 5 22 22 4 4 11 21 5 15 9 4 3 2 3 2 2 2 2 3 2 2 2 2 6 7 5 8 3 3 4 4 6 9 13 4 3 3 34 8 14 5 8 16 7 3 8 19 12 8 10 4 10 17 10 4 4 10 10 7 14 7 9 4 4 4 5 7 4 3 3 2 4 7 13 6 5 6 12 4 2 4 3 3 4 4 4 25 5 11 7 3 3 2 2 2 2 2 3 23 25 7 2 4 4 3 2 4 12 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 4 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 4 4 4 7 9 3 19 5 4 3 7 5 8 7 42 21 23 100 7 2 6 20 10 17 4 4 3 2 3 3 3 2 3 3 2 2 3 3 4 3 6 27 34 23 5 2 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 89 s 1H | 84 84 d 1H J 16 | 81 81 s 1H | 76 75 d 1H J 46 | 75 74 d 1H J 18 | 72 72 d 1H J 45 | 72 72 dd 1H J 22 88 | 70 69 d 1H J 89 | 67 67 d 1H J 22 | 58 58 t 1H J 45 | 44 43 m 2H | 39 39 s 2H | 38 38 m 4H | 37 37 m 2H | 33 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCCC#CCOC1CCCCO1
ir: 1 2 1 6 4 4 5 3 1 1 1 1 0 1 3 2 2 1 0 1 0 1 1 2 1 1 3 2 4 3 1 1 1 1 1 0 1 2 2 2 1 4 3 1 2 6 3 5 14 10 4 4 3 6 6 9 8 8 8 2 1 2 2 2 2 3 8 10 5 4 10 29 9 1 3 4 52 100 20 43 26 6 2 1 1 1 1 1 0 1 1 1 1 2 4 3 1 1 1 1 1 1 1 2 1 3 4 8 5 6 13 16 9 11 13 14 9 9 22 9 3 4 6 7 1 3 2 5 4 6 6 3 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 1 1 1 1 0 1 1 1 1 2 3 8 12 8 5 6 3 4 2 1 6 34 52 13 3 0 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 48 47 t 1H J 25 | 43 42 dt 1H J 26 88 | 41 41 dt 1H J 25 88 | 38 38 m 1H | 37 36 t 2H J 31 | 36 36 m 1H | 25 24 tt 2H J 25 50 | 20 19 tt 2H J 31 50 | 19 18 m 1H | 18 17 dddt 1H J 62 73 91 119 | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(C(=O)O)ccc1C(F)(F)F
ir: 1 1 1 6 3 2 1 1 1 3 2 2 2 2 4 6 3 5 3 2 7 70 39 5 2 1 2 1 3 7 3 3 6 12 9 5 2 4 6 4 3 2 1 2 1 1 1 1 1 1 1 1 2 2 5 4 2 1 1 1 1 1 1 3 2 2 3 4 3 8 14 7 2 2 2 3 1 0 32 3 3 2 1 2 2 2 1 2 3 2 1 1 1 1 0 3 20 2 18 6 9 19 3 2 1 1 1 1 2 11 18 2 2 1 1 1 15 2 1 1 1 1 1 2 1 1 2 5 15 3 1 1 1 1 1 1 1 1 19 25 3 3 12 23 6 13 27 3 1 1 12 44 4 5 2 1 2 2 2 1 1 1 1 1 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 1 2 1 1 1 1 1 1 2 1 2 1 2 2 2 5 2 13 16 8 10 1 1 1 1 1 2 79 100 4 1 1 1 1 1 3 6 4 3 2 4 7 33 13 3 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 t 1H J 12 | 78 78 p 3H J 10 | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccccc1C(=O)O
ir: 1 1 1 1 1 1 4 2 2 4 6 7 14 5 7 12 12 19 24 46 25 56 100 20 3 7 8 3 4 3 1 1 1 1 1 2 2 2 1 1 1 3 10 13 2 0 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 8 2 4 2 4 8 3 4 6 6 4 14 17 43 18 10 10 11 4 9 12 6 6 5 6 5 2 2 3 1 1 1 1 0 0 1 0 1 1 1 0 0 1 2 1 4 3 2 1 1 1 1 1 2 2 3 4 3 3 5 10 5 2 2 1 0 1 1 2 2 2 5 13 12 13 15 4 2 3 2 1 1 2 3 9 6 2 3 5 3 2 1 6 2 1 2 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 0 0 0 0 0 1 1 0 1 1 2 0 2 2 3 3 5 4 4 9 13 23 27 4 2 2 3 3 5 9 53 86 62 9 2 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 16 81 | 74 73 td 1H J 17 79 | 70 70 dd 1H J 12 80 | 68 68 td 1H J 13 79 | 61 60 ddt 1H J 56 112 169 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 47 46 dt 2H J 13 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)[C@@H]1C[C@@]2(c3ccccc3)[C@H](O)CC[C@@H]1N2Cc1ccccc1
ir: 5 12 9 8 9 11 18 6 8 20 27 18 4 6 1 2 10 5 3 2 1 2 5 4 1 2 2 1 5 4 7 22 16 8 2 1 2 4 4 41 31 45 12 2 1 4 5 3 2 2 1 4 3 2 2 1 2 2 1 5 5 6 2 2 6 6 4 5 8 16 4 9 7 5 2 6 5 6 10 5 3 7 8 11 33 100 26 12 10 4 5 4 3 2 1 1 3 6 23 7 7 3 2 3 8 8 2 2 3 5 6 12 4 2 2 2 2 3 2 7 14 7 4 7 14 7 2 6 3 3 2 1 2 2 9 78 13 2 1 2 3 3 18 20 18 7 3 3 1 1 1 1 6 2 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 3 2 3 2 1 3 5 4 4 4 7 12 15 47 67 45 12 11 3 4 4 10 61 43 4 4 3 2 2 1 1 1 2 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 73 72 h 9H J 18 | 73 72 ddd 1H J 35 46 70 | 41 40 m 2H | 39 38 m 2H | 37 36 m 1H | 34 33 d 1H J 60 | 26 26 dd 1H J 57 135 | 24 24 ddd 1H J 18 75 135 | 21 20 m 2H | 19 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOC[C@@H]1COc2cc(Br)ccc2O1
ir: 2 2 0 2 6 5 15 6 2 1 4 6 3 4 1 5 10 12 3 5 10 2 4 19 13 3 1 1 1 0 1 8 16 4 2 2 3 3 3 9 7 2 1 5 2 1 1 2 3 3 2 7 15 84 30 35 13 13 8 6 4 3 5 8 22 30 76 27 64 69 19 7 13 6 11 6 6 5 2 2 2 5 22 5 2 2 1 3 5 9 2 3 2 6 5 4 2 2 10 5 2 2 2 1 4 5 9 10 12 18 3 12 5 5 3 10 4 8 12 12 7 15 19 5 15 6 3 1 2 2 5 2 0 1 1 2 1 1 2 1 5 7 18 11 4 0 1 2 5 21 16 18 21 5 1 1 0 1 1 2 5 3 1 0 1 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 4 2 3 3 6 5 6 11 6 6 3 3 4 3 14 7 39 28 47 58 100 28 19 5 3 2 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 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 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 71 70 m 2H | 69 68 m 1H | 44 44 m 2H | 42 41 m 1H | 40 39 m 1H | 37 36 m 1H | 35 34 m 2H | 16 15 m 2H | 14 13 m 4H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)Nc1ccc(NC(=O)C(=O)OCC)nc1
ir: 2 3 3 3 5 1 1 1 2 3 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 3 1 2 6 5 4 7 4 1 5 7 10 21 10 14 7 3 2 7 3 2 2 3 3 4 5 10 19 6 3 3 1 1 1 1 1 1 0 0 1 1 1 1 5 2 1 1 1 1 0 1 1 1 1 1 1 2 4 5 1 1 1 0 1 1 5 4 1 1 1 1 1 1 0 1 1 1 18 3 1 1 1 2 0 8 4 4 2 4 1 1 1 1 0 1 1 1 1 4 1 1 1 2 1 1 1 8 25 36 8 1 1 1 1 1 1 5 5 2 1 5 100 3 2 8 5 6 17 2 1 0 1 1 1 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 1 0 1 2 3 1 3 9 2 1 1 1 2 0 0 0 0 1 1 0 1 1 1 3 1 1 1 1 2 3 9 12 19 34 7 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 86 85 d 1H J 18 | 80 79 m 2H | 44 43 q 4H J 71 | 13 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(CO)OC2CCCCO2)cc1
ir: 1 3 2 1 1 2 4 1 1 1 1 1 2 1 3 2 1 3 3 2 1 1 2 3 1 1 1 1 2 1 0 0 2 1 1 0 1 0 0 0 0 1 1 0 1 1 1 1 3 4 1 1 7 8 17 6 10 3 2 3 2 6 8 2 1 2 3 4 3 1 1 1 1 2 14 3 8 9 9 8 6 2 2 1 3 14 33 40 8 4 5 3 4 2 3 3 2 1 0 1 3 2 1 1 1 1 0 1 6 4 6 5 3 6 4 3 1 2 4 4 2 3 6 3 3 3 1 6 4 4 2 3 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 9 15 6 2 3 3 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 2 1 1 2 3 1 2 2 3 2 2 2 1 4 13 18 6 20 46 10 3 2 1 2 6 10 100 16 4 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 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; 1HNMR: 73 72 m 5H | 49 48 t 1H J 35 | 47 46 m 1H | 41 40 m 2H | 38 38 m 2H | 36 35 m 1H | 19 18 m 1H | 18 17 m 1H | 17 15 m 4H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOc1ccc(N2CCN(c3ccc(C#N)cc3)CC2)cc1
ir: 9 11 8 9 10 7 6 8 5 6 6 7 8 5 4 7 7 6 5 5 4 5 5 6 6 11 13 8 6 5 8 5 6 12 13 12 6 11 19 10 7 6 6 6 6 6 6 7 5 6 6 6 8 45 25 100 45 13 19 10 10 11 36 18 16 6 11 9 10 39 12 8 7 6 9 5 9 5 5 6 5 6 13 23 9 12 9 6 12 11 8 4 5 5 6 9 15 7 15 19 22 14 14 6 7 7 8 12 7 7 8 6 7 10 15 10 7 8 12 13 13 6 6 6 7 5 7 5 5 5 4 5 4 4 4 5 4 4 4 4 5 4 4 7 8 4 5 34 40 26 21 13 24 15 12 7 5 6 5 4 5 7 8 5 4 5 5 4 5 4 4 4 4 4 4 4 4 4 4 5 4 3 44 0 5 6 4 3 5 5 4 3 5 5 4 4 5 5 4 4 5 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 5 5 4 5 5 4 5 5 6 8 12 6 11 6 6 7 8 7 8 17 34 24 41 88 39 11 9 8 9 6 6 6 5 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 75 75 m 2H | 69 69 m 2H | 69 68 m 2H | 68 68 m 2H | 40 40 t 2H J 63 | 33 33 s 7H | 18 17 tt 2H J 63 75 | 15 14 dq 2H J 69 79 | 14 12 m 9H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2ccc(Br)cc2)nc2c(C(=O)Nc3ccccn3)cccc2c1=O
ir: 6 5 5 8 4 5 6 5 4 4 5 5 5 9 5 5 4 4 4 4 5 6 10 9 7 6 11 6 5 8 17 10 7 5 7 6 9 15 13 16 7 6 7 5 57 63 33 22 10 4 5 10 12 40 73 100 30 10 7 7 6 5 4 4 11 3 5 5 6 5 39 5 5 5 5 5 5 7 6 8 7 8 15 7 6 5 5 5 4 5 7 12 4 16 6 5 4 4 5 5 4 4 5 4 6 5 6 4 4 4 4 5 4 5 5 5 5 5 6 7 5 12 23 11 6 5 5 5 6 29 19 18 8 12 10 18 39 10 5 5 6 35 8 5 18 35 4 15 43 18 24 16 30 3 16 22 10 3 63 0 36 17 18 7 5 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 4 4 5 5 5 5 6 6 5 9 15 14 75 31 23 18 5 6 5 4 4 5 4 4 4 4 4 4 4 4 5 5 6 6 5 6 6 12 25 33 21 8 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 98 98 s 1H | 86 86 dd 1H J 16 43 | 84 84 dd 1H J 14 77 | 83 83 dd 1H J 13 79 | 83 82 dd 1H J 13 77 | 80 80 m 2H | 79 79 m 1H | 77 77 m 2H | 76 76 t 1H J 78 | 72 72 ddd 1H J 15 44 71 | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)Oc1sc(Br)cc1C(Cl)=N2
ir: 6 5 5 5 6 5 9 5 7 6 5 6 7 6 5 7 9 30 9 8 8 8 8 10 29 13 21 13 10 5 4 10 6 5 4 12 22 9 9 8 6 3 5 8 6 2 7 9 6 0 5 15 10 44 32 8 8 9 7 4 7 12 12 6 6 5 20 36 13 7 7 7 71 34 36 7 7 9 6 5 7 15 12 6 7 6 17 11 12 12 31 26 21 14 6 9 8 7 7 6 7 13 11 6 6 6 5 5 6 5 4 6 9 7 93 49 5 7 5 6 9 14 12 8 9 24 17 12 15 10 6 6 6 6 5 7 7 9 44 24 7 7 6 5 5 6 7 10 33 62 54 51 23 26 73 7 5 9 8 3 5 7 8 6 5 7 5 4 5 7 5 4 6 7 6 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 5 5 6 5 4 6 6 5 5 6 6 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 6 6 5 4 6 5 5 5 6 5 5 5 6 6 5 5 6 6 4 6 7 6 5 6 9 7 5 8 9 6 5 6 13 16 4 13 60 60 100 49 13 9 7 8 6 7 6 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 73 73 s 1H | 72 71 d 1H J 84 | 71 70 m 1H | 68 67 m 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(C(C)(O)Cn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
ir: 11 3 1 10 6 7 4 2 2 1 1 2 1 1 1 2 1 2 6 5 14 4 3 1 4 3 2 1 1 2 6 12 16 2 2 2 1 2 2 9 10 9 3 1 1 1 2 1 1 0 1 2 1 2 10 7 10 8 2 1 1 1 1 2 3 4 6 3 1 1 5 4 5 4 0 1 2 2 1 5 18 8 10 10 5 5 5 10 7 8 6 3 2 1 1 2 6 4 5 4 1 1 12 2 3 5 4 2 1 1 1 2 4 3 1 1 1 2 0 2 1 2 2 2 1 5 11 4 4 4 8 4 0 1 1 1 1 0 0 1 1 4 100 24 33 6 2 2 1 1 0 3 11 2 8 2 1 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 0 1 5 12 8 13 34 9 4 1 1 1 4 46 15 3 1 1 5 1 1 0 0 0 1 1 2 5 4 8 11 14 4 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 74 73 m 2H | 72 72 m 1H | 71 71 d 2H J 12 | 68 67 q 1H J 51 | 45 44 d 1H J 148 | 42 41 d 1H J 148 | 39 38 m 2H | 36 35 s 1H | 31 30 m 2H | 30 29 d 3H J 51 | 28 27 dd 2H J 43 52 | 25 24 s 3H | 24 24 s 3H | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c[nH]c(=O)c(CN2CCC(/C=C/c3ccccc3F)CC2)c1
ir: 13 9 8 4 7 5 2 2 3 5 4 1 1 1 1 2 1 0 0 1 2 2 1 2 2 1 0 1 6 15 15 31 10 18 7 3 5 13 2 9 11 29 64 32 13 23 10 100 30 13 6 3 4 4 5 6 2 3 4 3 3 1 1 1 1 1 2 1 5 7 5 4 8 6 15 17 28 7 11 58 39 11 6 5 9 25 17 12 7 2 1 2 2 2 6 4 2 2 8 2 4 7 12 7 9 9 5 2 6 8 9 8 10 3 2 2 2 3 1 4 6 5 6 5 1 4 5 7 2 2 4 4 4 4 4 6 8 3 8 5 30 31 10 2 1 2 2 4 13 14 88 100 8 14 5 3 1 1 2 2 2 8 17 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 1 0 1 0 1 1 1 2 2 3 3 2 2 4 5 7 3 5 15 22 21 30 29 37 18 12 3 2 2 3 2 1 1 1 1 0 1 2 1 1 2 3 2 2 14 93 57 14 8 10 6 5 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 66 | 80 79 dd 1H J 13 68 | 78 77 q 1H J 13 | 75 74 dddd 1H J 7 16 28 89 | 74 73 tdd 1H J 14 39 80 | 73 72 td 1H J 15 85 | 72 71 ddd 1H J 14 79 102 | 67 67 m 1H | 60 59 ddq 1H J 9 77 159 | 40 39 d 2H J 15 | 29 28 ddd 2H J 57 84 121 | 27 26 ddd 2H J 57 85 122 | 25 24 dpd 1H J 18 55 72 | 20 19 ddtd 2H J 9 55 84 118 | 17 16 ddtd 2H J 9 56 84 114
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)c1cc(Br)c(CCCN2C(=O)OCC[C@@H]2CO)s1
ir: 21 44 17 9 11 8 2 5 10 5 23 17 9 4 5 14 13 5 28 9 26 10 4 4 6 2 3 11 6 2 2 5 4 2 3 5 6 2 3 6 5 4 3 5 4 2 2 6 5 1 3 5 3 0 4 7 4 1 4 7 5 1 4 7 5 1 7 6 5 5 7 6 3 3 8 13 12 5 12 8 3 4 12 10 4 3 9 20 40 21 62 20 13 7 6 7 5 5 6 8 5 4 6 8 5 6 9 9 4 6 12 16 17 7 10 7 4 10 8 7 3 12 27 19 11 15 10 9 3 8 8 6 7 10 7 9 24 9 4 3 3 5 6 5 21 60 6 2 5 12 72 2 2 5 3 2 3 9 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 3 4 2 2 4 4 1 2 4 4 2 3 5 5 4 6 6 6 5 10 12 7 4 6 8 7 3 9 28 20 15 19 14 19 19 8 7 5 11 24 100 14 7 8 6 5 3 6 9 4 8 6 8 4 4 6 5 3 3 5 6 4 3 6 5 3 4 5 4 2 2 4 3 2 2 5 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 76 76 s 1H | 52 51 hept 1H J 58 | 43 43 ddd 1H J 35 62 112 | 42 41 ddd 1H J 35 62 112 | 39 38 dt 1H J 62 106 | 38 37 m 1H | 37 36 t 1H J 62 | 36 36 dt 1H J 61 106 | 36 34 m 2H | 29 28 t 2H J 70 | 21 19 m 3H | 18 17 dddd 1H J 35 62 77 130 | 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.
CN(C)C(=O)c1ccc2c(c1)C(C(=O)O)N(C(=O)OC(C)(C)C)C2
ir: 2 2 2 2 2 3 2 2 2 3 8 5 3 3 15 8 3 3 5 8 35 3 2 3 4 1 1 2 2 1 1 2 2 1 2 2 2 4 4 3 2 2 2 2 2 2 1 2 1 1 1 2 2 2 6 1 1 1 1 1 2 2 2 2 1 1 1 2 3 3 2 2 2 2 2 2 3 3 7 7 2 3 2 3 5 3 2 2 2 2 4 2 2 4 3 2 2 1 1 1 2 2 1 1 2 2 1 1 1 1 1 2 3 1 1 1 1 2 3 2 3 3 3 4 12 7 3 3 1 4 4 14 2 3 2 2 1 1 1 1 2 2 2 2 2 10 4 14 3 3 5 18 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 2 7 2 4 7 2 2 2 1 2 2 1 0 23 100 7 2 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 s 1H | 78 78 dd 1H J 7 19 | 77 76 dd 1H J 20 92 | 76 75 dt 1H J 9 92 | 55 55 d 1H J 8 | 48 48 dd 1H J 9 139 | 47 47 dd 1H J 8 138 | 30 30 s 6H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC2C(C1)C(C)CC(C)(C)N2CCO
ir: 3 2 2 4 2 6 9 5 13 16 6 9 9 11 8 19 21 44 23 13 34 28 33 17 36 22 19 8 8 8 12 7 5 3 4 2 4 7 8 6 17 14 10 4 3 6 6 5 13 7 4 8 5 10 4 4 7 19 9 6 3 4 4 5 11 7 3 3 4 3 2 2 6 6 3 2 6 12 5 5 9 16 22 13 11 40 11 18 39 47 48 24 35 30 21 13 13 12 8 12 15 12 7 9 6 8 7 4 12 11 10 10 8 12 10 4 8 9 6 14 5 10 13 10 18 11 17 3 4 5 7 10 7 13 10 14 16 8 7 4 2 2 3 2 2 2 1 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 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 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 9 4 4 2 4 6 8 10 5 7 10 6 9 22 29 5 12 8 3 1 3 10 6 100 53 0 4 5 1 0 2 2 1 0 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 37 36 ddt 2H J 54 107 133 | 32 32 m 2H | 29 28 dt 1H J 53 126 | 27 26 dt 1H J 53 128 | 18 16 m 5H | 16 15 m 3H | 15 14 m 2H | 13 12 m 1H | 12 12 s 3H | 11 11 s 2H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCCl)cc21
ir: 5 3 4 4 3 5 3 4 5 3 6 3 2 2 4 2 3 3 3 5 3 3 4 3 3 3 3 2 2 5 4 3 3 4 4 6 4 8 3 3 9 3 4 9 4 6 3 3 2 3 2 6 10 12 14 12 2 9 9 5 3 4 3 2 2 2 5 9 14 40 16 9 3 3 2 1 3 3 1 1 1 2 1 1 2 4 5 6 100 9 6 3 3 2 3 2 3 9 8 8 10 19 15 8 8 3 2 3 2 1 2 2 5 3 7 7 3 6 8 8 4 11 5 7 4 4 3 4 5 6 9 3 3 1 3 1 9 2 2 2 1 1 1 1 1 2 30 1 1 3 3 34 23 2 3 4 2 1 1 2 1 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 2 2 2 2 2 2 2 2 4 19 7 1 15 46 14 10 4 1 2 2 2 1 1 2 1 1 1 1 2 1 2 2 1 2 2 2 2 5 5 16 87 15 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 71 | 77 76 m 2H | 74 73 m 2H | 72 72 d 1H J 22 | 70 70 s 1H | 68 67 dd 1H J 21 70 | 43 42 t 2H J 23 | 42 42 q 2H J 52 | 38 38 t 2H J 22 | 29 29 s 2H | 14 13 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC1CCN([C@@H]2CC[C@@H](C(=O)OC)CC2)CC1
ir: 9 8 5 15 4 10 9 14 12 21 12 12 4 9 4 5 7 4 13 3 3 1 2 2 4 2 2 4 10 3 2 2 2 1 2 2 3 5 2 7 20 10 6 4 6 2 2 10 3 3 2 7 5 5 10 11 10 3 8 4 2 1 8 14 10 6 8 13 7 7 12 16 19 18 9 8 10 9 4 3 5 4 7 28 100 55 64 16 9 3 3 4 6 6 14 13 2 6 12 11 26 10 7 18 12 21 68 55 27 14 43 28 22 38 41 17 18 29 43 34 28 15 13 18 10 10 8 5 13 7 17 8 2 5 8 14 7 11 9 10 5 7 11 16 43 15 8 4 3 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 5 5 7 6 20 13 14 15 9 15 14 16 20 62 53 17 10 5 3 1 3 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 37 36 s 2H | 30 29 ddd 2H J 58 83 119 | 27 27 m 1H | 27 26 ddd 2H J 57 85 119 | 24 23 tt 1H J 49 79 | 20 19 dtd 2H J 57 79 127 | 18 16 m 7H | 16 14 m 6H | 13 12 m 8H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Nc2ccnc(Cl)c2)c(C2CC2)nc1N1CCN(C(=O)C[C@H]2CCO2)[C@H](C2CC2)C1
ir: 4 6 8 6 17 13 10 8 9 61 10 12 8 11 19 5 6 4 3 11 12 8 16 18 24 18 19 14 9 10 14 10 5 13 10 5 8 1 19 7 18 13 23 13 20 13 11 19 9 5 1 8 10 14 7 3 3 20 7 10 7 6 3 6 14 10 31 22 18 1 14 10 7 10 26 9 5 5 8 4 2 3 5 4 3 4 12 22 13 29 14 10 10 9 17 23 7 8 20 13 11 4 4 3 8 12 17 20 32 24 4 5 2 2 5 4 2 5 5 9 4 8 5 10 10 15 8 12 23 10 5 10 68 10 8 17 11 13 21 11 26 36 14 4 5 15 40 33 67 25 27 42 24 12 13 4 3 4 6 10 4 4 21 100 7 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 30 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 6 18 4 7 6 15 11 11 10 17 24 53 47 11 18 10 4 3 2 1 1 1 1 2 1 2 2 3 1 4 7 9 3 5 19 88 31 27 12 8 4 3 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; 1HNMR: 82 82 d 1H J 40 | 76 75 s 1H | 70 70 s 1H | 69 68 dd 1H J 22 40 | 67 67 d 1H J 22 | 45 44 dddd 1H J 9 59 67 126 | 40 40 dd 1H J 27 123 | 39 36 m 9H | 27 26 dd 1H J 67 155 | 25 24 dq 1H J 58 127 | 24 23 dd 1H J 67 155 | 23 22 m 2H | 19 18 h 1H J 61 | 11 10 m 2H | 10 8 m 4H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1
ir: 1 2 1 1 1 1 1 1 5 2 6 3 10 19 19 6 3 0 2 1 2 6 6 3 1 4 4 15 4 6 8 2 3 2 3 3 9 8 4 2 21 2 3 1 1 1 1 32 15 1 1 2 0 1 1 1 1 0 2 2 1 1 1 11 6 2 2 5 3 3 1 1 1 1 2 4 6 2 2 9 12 1 3 5 100 19 8 12 2 1 2 1 1 1 1 1 3 7 6 9 4 2 1 1 1 5 17 1 1 1 0 1 1 0 0 0 0 1 1 2 10 3 2 1 1 1 0 1 1 1 1 1 2 14 4 13 1 1 0 2 2 14 48 13 2 3 2 1 1 0 1 3 2 2 0 0 0 1 1 16 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 2 2 6 3 9 26 39 7 6 4 3 1 1 1 1 1 0 0 0 0 0 1 0 0 1 1 1 1 3 4 6 13 32 2 1 0 0 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; 1HNMR: 80 79 m 4H | 79 78 ddt 1H J 13 71 87 | 77 77 m 2H | 73 72 dd 1H J 71 79 | 70 69 dd 1H J 11 71 | 33 32 ddd 2H J 40 51 110 | 32 31 m 4H | 30 30 m 2H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C)c[n+]1[O-]
ir: 4 6 18 3 4 3 3 4 11 17 3 1 2 2 1 3 1 1 1 3 1 1 3 2 3 3 1 1 1 1 1 1 1 1 1 1 1 2 1 60 3 2 1 1 1 1 1 1 1 1 1 0 1 8 7 1 1 1 1 2 1 1 2 2 6 2 2 1 1 2 2 1 1 1 2 3 1 5 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 4 1 1 1 1 1 1 1 1 6 10 1 1 1 1 1 1 1 1 1 1 1 1 1 73 6 3 6 4 2 2 3 4 7 3 17 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 33 4 14 4 3 2 0 6 100 5 1 1 1 1 8 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 2 3 2 2 3 15 5 73 14 21 6 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 51 51 d 1H J 15 | 39 39 s 3H | 35 34 d 1H J 64 | 28 28 dd 1H J 15 62 | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(C)cc1C=O
ir: 38 26 23 18 15 27 16 9 35 11 12 17 12 15 7 9 13 10 2 9 10 5 4 10 12 10 18 53 28 11 13 10 9 3 4 10 10 11 15 27 13 3 6 11 9 2 4 11 8 2 8 17 23 74 75 36 19 50 33 31 15 3 14 29 12 43 71 58 23 9 18 23 21 15 22 15 6 6 12 13 5 3 8 9 3 4 23 45 40 33 15 10 7 13 16 16 6 8 33 32 29 20 21 10 6 28 17 8 3 8 11 11 0 15 19 8 8 12 34 25 21 17 23 14 14 25 26 12 8 20 31 17 5 9 11 7 4 8 9 6 5 15 24 45 16 25 18 13 43 73 20 6 6 10 10 5 8 9 7 2 5 10 19 21 5 9 6 1 5 9 6 1 5 9 5 1 6 9 5 1 6 9 4 2 6 8 4 2 6 8 4 2 7 8 3 3 7 7 3 3 7 7 3 3 7 7 3 4 8 6 2 4 8 6 2 4 8 6 2 4 9 6 2 5 9 5 1 5 9 5 1 5 9 5 2 6 8 4 2 6 8 4 2 6 8 4 2 6 8 4 3 7 7 3 3 7 7 3 3 7 7 3 4 8 7 3 4 10 9 4 18 10 11 5 9 22 15 6 8 12 8 4 16 27 16 23 28 45 100 32 11 12 6 4 9 11 5 3 6 8 5 3 6 7 4 3 6 7 4 3 7 7 3 3 7 7 3 4 7 6 3 4 7 6 3 4 7 6 3 4 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 7 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 5 8 5 2 5 8 5 2; 1HNMR: 100 100 s 1H | 77 76 d 1H J 25 | 72 71 m 1H | 70 70 d 1H J 83 | 47 47 s 2H | 43 42 q 2H J 66 | 24 23 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCc2sc3ccc(F)cc3c21
ir: 1 10 19 9 0 13 19 12 2 11 17 9 2 14 18 11 10 20 20 7 3 40 12 30 5 16 36 7 25 15 14 4 6 24 21 18 12 17 13 3 7 19 25 13 21 21 13 3 9 18 11 1 10 28 16 14 12 18 10 3 11 19 10 2 10 48 60 64 63 28 25 4 13 16 7 3 13 16 6 6 14 16 6 5 14 15 6 5 14 15 6 6 17 13 4 7 16 17 15 9 16 12 3 8 28 16 12 9 18 10 1 11 21 12 1 11 19 11 9 22 26 10 6 16 22 12 3 13 17 9 3 13 16 6 6 19 21 15 9 15 17 7 10 55 27 19 9 15 14 5 8 16 17 16 12 21 17 11 32 28 14 3 92 20 9 8 9 13 10 5 9 15 9 4 10 15 10 5 11 16 9 4 11 14 8 4 11 14 7 5 12 14 7 5 12 13 6 6 13 13 6 6 13 12 5 7 13 12 5 7 14 11 4 8 14 11 4 8 15 10 4 9 15 10 3 9 16 9 3 10 16 9 3 10 15 9 4 10 15 8 5 11 14 8 5 11 14 7 5 12 13 7 6 12 13 6 6 13 13 6 7 13 12 6 7 13 12 5 8 14 11 5 8 14 11 6 9 17 10 5 9 15 12 10 14 18 40 44 100 35 19 9 12 17 9 5 12 15 8 5 12 14 8 6 12 15 12 9 18 19 28 53 59 60 32 11 14 12 7 8 13 12 6 8 13 11 5 8 14 11 5 8 14 10 4 9 14 10 4 9 15 9 4 10 15 9 4 10 14 9 5 10 14 8 5 11 13 8 5 11 13 8 6 11 13 7 6 12 12 7 7 12 12 7 7 12 12 6 7 13 11 6 8 13 11 6 8 13 10 5 9 14 10 5 9 14 10 5 9 14; 1HNMR: 81 80 dd 1H J 46 77 | 76 75 dd 1H J 26 121 | 72 71 ddd 1H J 26 77 103 | 68 67 t 1H J 38 | 37 36 q 2H J 38 | 32 31 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC1CCN(CC)c2c(CO)cccc21
ir: 4 10 8 13 5 16 8 16 15 16 30 23 22 20 10 13 16 18 7 12 6 5 8 3 5 6 7 4 7 2 5 1 3 4 1 3 1 2 2 3 19 25 4 4 3 6 19 14 3 1 1 1 1 1 2 1 7 9 6 5 4 2 7 14 5 21 25 13 17 9 6 9 31 9 12 9 8 4 6 27 7 6 8 9 27 3 4 7 55 87 12 30 55 11 7 6 7 4 1 3 2 1 3 3 7 3 2 1 2 4 5 6 3 3 4 2 6 3 9 2 4 3 6 5 17 4 14 8 4 2 4 2 2 4 5 7 13 32 7 16 55 43 7 1 2 1 1 1 10 2 1 1 1 0 1 1 1 3 3 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 2 1 2 2 3 5 4 2 10 10 9 12 12 20 9 15 74 19 11 13 4 9 100 71 21 8 3 2 1 1 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 1H | 72 71 dq 1H J 10 82 | 71 70 m 1H | 57 56 ddt 1H J 56 114 170 | 54 53 ddt 1H J 13 25 168 | 52 51 m 1H | 48 48 dd 1H J 35 43 | 47 46 dd 2H J 9 59 | 42 42 ddt 1H J 13 57 141 | 41 41 ddt 1H J 15 57 143 | 38 37 t 1H J 59 | 36 35 ddd 1H J 57 82 119 | 35 34 m 3H | 23 22 dddd 1H J 39 57 82 130 | 20 19 dddd 1H J 39 57 84 130 | 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.