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COc1ccc(-c2cc(C(=O)O)c3c(C)nn(C(C)(C)C)c3n2)cc1
ir: 1 1 1 1 1 1 1 1 2 2 2 2 3 2 6 8 8 3 3 2 6 17 38 7 10 6 2 2 3 2 1 2 2 1 1 1 1 1 1 3 11 7 1 2 1 1 1 0 1 1 1 1 2 2 2 8 6 3 1 2 2 1 2 1 1 2 2 14 5 1 1 5 1 1 2 1 2 4 20 4 3 1 2 1 1 1 2 2 4 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 2 3 2 4 4 2 1 3 7 3 5 6 5 1 2 2 4 1 1 4 1 1 1 2 9 3 1 2 4 25 34 4 2 3 4 6 13 3 2 2 3 21 2 0 1 3 2 0 1 2 5 4 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 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 0 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 2 2 5 5 6 23 4 8 2 1 1 2 2 2 40 100 4 3 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 81 s 1H | 80 79 m 2H | 69 69 m 2H | 38 38 s 3H | 26 26 s 3H | 17 17 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CC(=O)O)cc2ccc(F)cc2c1C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
ir: 9 2 1 4 5 4 24 17 7 13 16 23 24 25 16 36 18 5 10 15 57 63 46 12 16 9 11 4 3 3 2 1 1 4 5 11 2 3 2 1 4 8 75 28 4 3 5 4 6 2 4 2 2 6 6 6 2 2 3 13 3 1 3 7 6 8 14 22 34 7 8 13 13 1 5 20 11 31 57 41 42 13 8 5 45 100 27 57 18 7 2 2 3 2 1 2 2 3 4 2 15 8 3 5 5 3 9 6 26 3 1 4 3 5 4 3 2 4 5 5 6 10 16 6 2 1 1 2 3 4 2 3 6 5 5 5 24 33 6 4 7 5 13 28 25 27 8 8 3 2 1 0 1 5 2 1 9 5 2 3 6 3 13 6 4 1 1 0 1 1 3 2 1 2 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 2 1 1 2 6 7 2 3 3 3 4 4 10 16 4 28 77 48 16 8 2 3 6 2 3 18 56 4 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 76 76 dd 1H J 26 121 | 76 74 m 3H | 73 73 m 1H | 72 71 ddd 1H J 26 81 97 | 35 35 d 2H J 7 | 35 34 ddd 2H J 66 92 128 | 34 33 m 3H | 24 23 s 2H | 23 22 dddd 2H J 54 67 93 119 | 20 19 dddd 2H J 54 67 92 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1CC(=O)c1cc(Br)ccc1O
ir: 2 2 1 3 3 1 2 1 1 2 1 1 2 5 4 2 1 1 2 1 1 2 2 4 3 6 12 13 8 14 23 31 9 7 2 2 2 8 8 8 4 3 3 1 9 11 3 2 10 2 1 1 3 3 4 7 1 1 1 1 1 0 1 1 1 1 2 3 3 1 1 1 1 1 2 2 1 1 1 2 2 2 3 1 4 6 5 5 2 1 5 3 2 3 26 26 1 3 2 1 1 3 2 3 5 1 2 9 19 6 2 2 2 1 1 3 3 2 2 5 6 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 4 1 1 3 2 1 27 25 11 13 6 9 6 3 1 2 3 2 1 1 1 1 1 1 2 3 1 1 1 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 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 1 1 0 1 1 0 1 0 0 1 1 1 0 1 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 4 7 4 8 16 47 23 7 11 51 100 73 11 4 2 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 25 | 75 74 dd 1H J 25 89 | 72 71 m 4H | 69 69 d 1H J 89 | 43 42 d 2H J 8 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(O)c2c(-c3ccc(Cl)cc3)noc2C1
ir: 2 2 2 1 2 1 1 2 2 2 6 1 2 2 2 1 2 2 1 2 4 3 3 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 2 2 7 5 3 1 3 2 1 1 2 2 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 3 4 1 4 3 2 2 4 14 6 3 2 4 3 2 2 2 2 2 1 1 1 3 1 3 4 2 5 4 2 2 2 3 4 4 4 2 2 2 3 5 2 1 1 2 1 1 2 2 5 2 1 1 2 1 1 1 1 1 3 2 20 8 7 7 3 2 2 2 2 3 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 1 3 3 2 3 7 17 8 6 8 3 2 5 6 100 23 7 0 2 3 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 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; 1HNMR: 76 75 m 2H | 75 74 m 2H | 51 50 td 1H J 57 69 | 40 40 d 1H J 57 | 36 36 s 2H | 32 31 m 1H | 30 29 m 2H | 23 21 dtd 1H J 70 92 134 | 21 19 ddtd 2H J 70 94 134 382 | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CN2CCc3ccc(OC(C)C)c(C)c3C2=O)c(=O)[nH]1
ir: 3 3 4 3 2 3 4 3 3 6 7 5 8 10 8 7 16 7 11 6 3 5 6 2 17 7 3 3 2 2 6 16 4 5 4 4 4 7 3 3 4 16 18 12 21 12 5 19 83 78 48 6 10 13 33 4 3 3 2 0 6 7 4 0 3 6 6 2 12 10 2 6 7 16 13 26 11 7 4 4 5 12 7 3 4 6 6 14 7 4 4 9 5 6 1 3 8 71 7 7 4 4 2 4 8 9 8 5 8 2 1 2 3 4 4 5 4 5 6 11 11 8 5 6 8 7 3 7 10 11 6 4 6 4 7 6 2 9 11 10 12 5 3 2 4 10 7 14 3 4 51 12 5 2 2 6 100 5 47 12 51 23 5 3 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 5 4 3 3 3 3 5 3 3 7 6 7 9 13 15 10 11 48 38 51 6 4 3 4 2 1 2 2 1 1 2 2 3 1 2 2 2 1 5 19 22 6 14 5 17 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 71 71 dt 1H J 9 84 | 68 68 d 1H J 86 | 60 60 p 1H J 12 | 46 45 hept 1H J 57 | 45 45 s 2H | 38 38 m 2H | 30 29 m 2H | 25 25 s 2H | 24 24 d 3H J 13 | 22 21 d 3H J 9 | 14 13 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C(N)=O)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1
ir: 3 2 1 1 2 2 5 2 2 1 1 11 4 8 11 5 2 2 3 2 2 2 3 6 2 2 2 25 42 3 6 12 11 4 2 5 21 8 11 4 7 1 6 4 9 4 3 6 14 45 17 4 3 2 8 33 4 1 1 1 1 1 1 1 2 5 11 11 4 1 1 2 2 0 1 3 2 3 7 5 1 9 9 8 4 2 48 3 4 1 1 2 1 1 3 11 4 11 6 10 13 2 2 2 9 10 8 8 1 2 1 3 1 48 5 2 2 5 3 6 4 4 3 2 2 15 5 5 1 1 1 1 0 1 1 4 3 5 6 6 4 4 2 4 2 1 0 2 1 9 1 3 21 5 5 6 2 5 15 100 31 1 30 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 6 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 2 3 2 1 1 1 1 1 1 1 2 1 2 4 13 7 5 21 38 15 3 2 2 2 0 1 1 1 1 0 1 1 0 1 1 3 46 5 6 1 1 5 8 16 7 2 2 4 3 27 7 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 t 1H J 12 | 78 78 t 1H J 21 | 78 77 d 2H J 12 | 76 76 d 1H J 70 | 75 74 m 1H | 74 74 s 2H | 73 72 m 2H | 56 56 dq 1H J 12 70 | 32 32 s 3H | 23 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)N2CCCCCC2)cnc1Cl
ir: 8 6 5 3 4 6 7 6 10 18 14 5 12 10 9 9 2 14 9 18 6 4 10 4 7 5 3 2 2 4 3 5 7 13 14 23 82 64 43 20 10 23 15 13 4 12 5 1 3 3 5 6 1 3 5 3 4 3 4 2 2 4 5 1 5 6 13 25 10 16 5 2 2 3 4 2 1 2 2 2 2 6 8 2 2 6 6 33 10 22 27 10 6 4 7 1 2 2 1 3 3 2 3 2 2 2 4 3 3 8 6 5 17 15 25 14 16 8 10 39 34 41 15 30 76 30 32 30 45 10 6 2 9 2 3 17 7 4 4 3 5 4 6 29 5 5 37 100 10 8 5 10 5 11 88 66 10 0 4 7 9 17 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 2 1 4 3 5 4 3 5 3 2 4 3 12 17 6 11 45 19 4 7 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 18 | 76 76 d 1H J 18 | 39 39 s 2H | 34 33 m 4H | 16 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc([C@H]2C[C@H]3CSC(NC(=O)c4ccccc4)=N[C@@]3(c3cc(Br)ccc3F)CO2)on1
ir: 3 3 3 1 2 2 5 11 6 5 3 4 4 4 8 7 1 3 6 2 3 3 2 7 4 6 7 7 7 7 5 3 7 8 18 18 52 78 40 10 26 6 7 10 8 9 4 3 5 6 4 4 3 5 23 5 2 8 2 3 1 2 1 0 1 3 4 6 6 20 14 16 14 30 8 11 9 1 16 6 2 5 1 2 1 2 2 1 2 1 1 1 1 1 1 1 3 3 6 4 3 9 2 4 3 6 8 4 10 2 2 2 2 1 1 1 2 4 7 7 6 3 6 3 6 3 2 5 5 7 2 10 9 12 11 24 11 3 12 7 3 9 43 56 10 17 8 15 11 4 100 21 5 7 26 11 3 2 2 2 2 7 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 3 2 3 11 5 3 3 5 5 7 10 14 30 77 65 43 14 7 4 2 5 2 1 1 1 1 1 1 1 1 0 2 4 3 2 5 9 12 61 18 24 6 2 3 1 1 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 96 95 s 1H | 79 78 m 2H | 76 75 m 5H | 71 71 dd 1H J 66 101 | 64 64 d 1H J 10 | 49 48 ddd 1H J 18 36 71 | 43 43 d 1H J 106 | 41 41 d 1H J 106 | 34 33 m 1H | 31 30 m 1H | 24 24 m 1H | 23 22 s 3H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccccc1-n1cncn1
ir: 6 3 1 4 6 5 7 13 21 21 5 5 6 5 4 7 6 4 2 6 9 9 7 6 5 2 2 4 4 2 2 5 5 3 3 5 5 21 19 18 14 28 96 65 15 9 7 6 5 2 4 6 4 1 3 6 5 3 6 8 5 2 4 6 4 2 4 9 14 2 4 5 4 5 8 11 16 2 5 5 5 5 6 5 3 5 15 16 10 6 7 7 4 3 6 8 7 4 9 7 15 3 6 5 3 6 5 6 27 28 8 4 0 6 9 7 1 4 6 4 1 4 6 3 2 8 12 4 2 4 7 5 6 7 15 16 10 5 23 6 10 8 5 4 3 7 10 5 16 36 9 2 3 5 4 3 4 7 7 3 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 5 4 2 2 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2 4 10 6 13 36 100 42 21 9 8 5 8 4 5 3 4 4 7 5 4 5 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 90 90 d 1H J 16 | 83 83 d 1H J 16 | 74 74 dd 1H J 14 71 | 74 74 dd 1H J 15 71 | 73 73 td 1H J 15 70 | 73 72 td 1H J 14 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncccc1Nc1ncc2c(n1)-c1cc(CCCN(C)C)c(Cl)cc1NC(=O)C2
ir: 3 4 4 5 2 4 9 7 3 3 4 3 6 3 8 4 3 13 40 9 8 3 5 14 8 8 15 4 7 7 13 4 4 5 27 9 14 10 19 17 4 5 4 4 6 4 14 4 10 3 4 12 11 26 68 18 7 5 7 3 4 6 28 23 12 6 5 18 14 8 5 3 2 2 2 2 2 2 3 2 2 2 3 2 3 5 7 20 5 3 4 5 5 2 3 3 3 4 4 7 54 3 4 3 1 2 4 3 4 3 9 22 5 3 3 6 8 6 3 4 12 3 7 11 9 2 3 3 1 3 4 2 6 13 8 11 74 12 4 3 9 6 4 2 10 12 3 45 32 4 5 18 68 8 6 13 19 18 11 0 39 22 5 11 5 1 2 2 1 1 1 2 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 2 1 1 2 2 1 2 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 10 7 4 7 26 12 11 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 7 5 4 15 21 26 100 14 23 24 8 3 3 3 2 1 2 2 1 2 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 90 89 s 1H | 83 82 d 1H J 9 | 82 82 dd 1H J 21 41 | 81 81 s 1H | 75 75 t 1H J 9 | 75 74 dd 1H J 21 78 | 73 73 dd 1H J 41 78 | 42 41 d 2H J 7 | 28 27 td 2H J 9 78 | 26 26 t 2H J 61 | 24 24 s 3H | 23 23 s 5H | 19 18 tt 2H J 62 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCNS(=O)(=O)c1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2)s1
ir: 5 7 5 2 1 2 5 4 7 10 18 15 9 5 7 8 6 8 7 5 15 20 54 45 11 7 4 2 2 3 7 4 3 2 3 8 2 4 3 3 4 5 7 10 6 7 3 8 11 20 48 28 6 10 36 26 14 5 3 2 3 3 8 6 6 21 17 8 59 18 7 9 45 11 4 6 4 5 8 10 4 32 21 3 1 5 18 9 5 12 12 4 5 5 2 2 5 9 8 4 7 4 4 16 26 35 60 30 11 11 12 8 8 71 2 6 8 3 1 4 5 5 1 2 6 3 2 2 3 3 15 4 5 11 8 7 12 3 3 3 3 5 10 19 7 5 5 3 4 10 7 36 66 59 11 11 7 4 2 3 2 1 4 4 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 5 4 2 2 6 5 2 3 2 3 5 11 7 4 20 17 7 3 1 2 2 2 15 90 31 4 2 3 3 1 1 2 5 7 10 42 100 52 16 61 8 5 8 3 3 3 3 3 2 2 2 2 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 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 2 1 1 1 2 1 1 1 2; 1HNMR: 96 96 s 1H | 80 80 s 1H | 73 70 m 4H | 38 37 d 2H J 46 | 32 31 q 2H J 62 | 26 25 t 2H J 62 | 21 20 hept 1H J 50 | 18 17 m 2H | 17 16 m 2H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)Nc1ccc(F)cc1F
ir: 3 2 3 4 3 9 8 2 1 2 1 2 4 3 1 2 6 6 3 1 2 2 1 2 3 3 1 4 2 2 7 20 20 22 13 20 14 15 9 12 29 25 8 6 13 8 3 6 4 8 3 2 6 8 36 7 10 7 2 17 1 0 3 2 2 3 10 10 5 3 2 5 1 2 5 2 1 1 2 2 3 3 10 22 13 3 3 13 4 4 9 7 1 2 1 2 1 1 7 28 4 1 1 1 1 1 0 5 4 3 15 16 6 9 5 8 1 25 3 1 2 1 2 2 10 2 2 2 2 0 1 4 4 12 31 41 31 7 3 2 2 6 8 32 11 3 8 10 36 100 26 12 19 22 12 4 1 3 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 4 8 11 12 22 19 4 2 2 3 1 3 2 1 0 1 1 0 1 1 2 2 1 4 6 8 16 44 48 24 13 11 8 2 3 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; 1HNMR: 95 94 d 1H J 35 | 77 76 dt 1H J 46 76 | 71 70 m 1H | 70 70 m 1H | 44 43 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CC1=O
ir: 6 6 16 4 3 5 2 4 17 4 3 4 3 2 5 10 9 1 1 3 7 11 6 3 12 5 4 2 3 4 4 4 5 5 5 2 5 4 32 14 40 38 13 19 11 5 3 3 4 10 4 6 6 50 20 6 4 3 2 1 3 3 5 2 3 3 7 35 4 19 2 4 2 3 4 4 13 2 2 1 2 2 7 8 4 2 5 15 4 14 7 2 5 7 6 9 5 4 5 4 4 7 7 6 11 13 7 11 7 13 6 6 9 8 4 5 9 6 2 5 6 11 12 14 8 14 22 7 4 7 7 4 4 7 10 7 4 18 14 68 14 13 6 4 42 14 25 83 47 19 22 7 6 6 15 2 3 2 2 3 2 0 2 94 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 4 4 3 4 3 2 5 4 4 11 22 21 32 59 100 19 9 3 3 3 1 0 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 78 77 d 1H J 83 | 73 72 m 3H | 71 70 m 2H | 68 67 dd 1H J 22 82 | 46 46 d 2H J 10 | 45 44 s 2H | 35 35 m 4H | 30 29 s 2H | 22 21 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(F)cc1-n1cnc(C)c1
ir: 3 4 2 5 7 8 9 9 5 6 8 8 3 5 7 6 7 11 8 8 3 2 2 4 3 6 5 2 3 3 3 4 5 2 3 44 15 3 2 3 3 2 2 4 2 1 4 4 2 2 4 4 11 16 17 53 18 8 5 4 5 3 3 1 9 7 7 10 13 10 20 7 11 6 3 3 4 3 8 4 6 3 2 1 2 2 1 3 7 16 15 3 3 4 4 1 5 7 3 2 83 100 8 57 3 13 21 4 0 3 4 3 1 2 7 10 12 8 13 11 4 7 12 6 9 9 11 2 4 5 11 19 9 8 14 5 11 5 4 5 3 6 7 4 4 4 6 24 41 45 24 7 4 23 29 8 4 2 2 3 2 1 3 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 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 2 3 6 10 12 5 2 3 4 4 6 5 6 8 13 18 21 37 9 25 62 86 95 15 10 4 3 2 4 2 1 2 2 2 2 2 2 2 1 2 3 5 5 17 37 15 11 3 3 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 80 80 d 1H J 16 | 76 76 dd 1H J 46 75 | 75 74 q 1H J 11 | 73 72 dd 1H J 21 122 | 71 71 ddd 1H J 22 76 100 | 23 23 d 3H J 7 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1C(=O)CC[C@]2(c3cccc(O)c3)[C@@H](O)CCC[C@@H]12
ir: 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 0 0 1 1 0 0 1 1 0 2 6 9 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 2 2 2 2 0 1 7 5 5 2 5 7 10 4 2 16 19 3 2 1 1 1 1 2 2 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 3 2 1 2 2 1 1 2 1 1 1 1 1 0 2 1 1 0 1 1 1 1 1 1 1 1 1 3 3 8 2 1 0 0 1 1 0 1 1 1 0 1 2 2 0 0 1 2 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 1 1 0 1 2 1 1 1 1 1 1 1 3 2 1 2 6 6 2 1 0 1 3 15 100 12 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 s 1H | 72 71 t 1H J 80 | 71 70 ddd 1H J 12 21 79 | 67 67 t 1H J 21 | 67 66 ddd 1H J 13 22 81 | 40 39 tdd 1H J 25 38 62 | 33 32 d 1H J 62 | 28 27 ddd 1H J 52 80 150 | 26 25 ddd 1H J 53 80 150 | 24 23 dq 1H J 73 88 | 23 22 ddd 1H J 53 81 136 | 20 19 m 2H | 19 18 m 2H | 18 17 m 2H | 16 15 m 2H | 11 10 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2nc(C)c(C)c3c2nc2n3[C@@H](C)COC2)cc1
ir: 6 6 2 7 5 9 6 8 2 8 13 8 11 12 5 5 7 12 6 9 12 9 7 3 8 5 6 7 8 13 6 4 6 4 9 3 3 10 7 5 5 4 7 7 10 6 33 19 9 15 25 24 33 35 41 59 13 17 8 37 14 9 16 6 8 4 8 17 15 41 4 37 17 12 13 7 15 13 6 1 3 6 3 3 7 11 11 28 13 4 7 4 3 7 22 12 18 16 25 20 14 19 12 11 6 4 12 7 9 10 21 16 20 18 30 27 60 29 62 30 6 21 22 35 14 25 10 39 25 14 11 13 16 18 12 12 17 10 5 9 10 13 4 6 12 32 57 44 52 17 12 6 21 1 2 4 4 1 1 4 2 1 3 5 3 31 6 5 24 1 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 2 0 1 2 1 0 1 3 1 0 2 3 1 1 2 3 1 1 2 2 1 0 2 3 2 1 2 3 1 1 3 2 1 1 2 2 1 1 2 3 2 3 3 6 3 7 10 19 14 10 11 21 17 29 9 8 14 14 25 27 67 96 70 100 76 64 29 11 6 5 4 3 2 4 5 2 4 3 4 5 5 11 15 19 79 23 22 8 5 3 5 4 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 78 77 t 1H J 58 | 74 73 dp 2H J 10 80 | 69 69 m 2H | 48 48 dt 2H J 8 57 | 47 46 d 1H J 130 | 46 46 d 1H J 132 | 44 43 qdd 1H J 12 39 65 | 39 39 dd 1H J 11 101 | 38 38 s 2H | 37 36 dd 1H J 40 101 | 25 24 d 6H J 38 | 13 13 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(C(=O)Nc2ccc(Cl)nc2)c1N
ir: 3 6 2 3 5 3 2 2 3 2 2 2 3 2 2 4 3 4 6 6 5 2 1 4 6 8 5 4 3 2 4 2 2 3 3 3 2 2 2 2 2 3 3 2 2 9 42 10 24 1 2 6 12 4 13 15 8 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 1 2 2 6 4 2 4 2 1 2 2 1 2 2 2 2 2 4 3 1 2 2 2 1 1 2 2 1 2 3 2 1 8 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 3 3 2 2 2 2 1 12 2 3 3 2 2 2 2 2 2 2 4 2 2 16 3 1 3 4 4 13 3 3 4 2 3 4 34 31 5 5 3 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 10 5 6 2 3 2 2 2 2 3 2 1 2 3 1 0 4 25 3 3 2 2 4 10 16 3 1 1 8 100 38 7 0 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 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 86 86 d 1H J 19 | 77 77 dd 1H J 19 78 | 73 73 d 1H J 78 | 71 70 d 1H J 9 | 57 57 s 2H | 23 22 d 4H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(NC(=O)c2ccccc2O)cc1
ir: 12 10 13 8 18 18 12 8 6 8 5 7 5 5 5 6 4 8 4 7 8 4 9 8 8 4 7 8 10 21 11 19 18 19 16 10 8 3 5 8 9 33 51 14 8 12 13 19 11 11 5 5 5 7 7 11 10 15 12 10 4 5 4 4 4 2 3 5 4 14 4 3 3 3 4 5 4 3 3 9 5 6 5 4 2 2 4 10 6 7 15 43 63 8 4 4 12 11 2 4 3 5 7 13 20 9 11 9 12 18 20 5 6 3 4 3 3 3 3 3 2 3 3 3 2 2 3 3 3 3 3 2 3 3 3 7 10 5 4 6 22 12 5 4 7 52 34 12 7 9 9 17 13 12 12 23 55 98 12 0 13 35 4 3 3 4 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 4 2 3 4 4 4 4 4 13 19 18 59 64 26 30 41 45 18 5 8 5 4 4 3 3 3 4 4 3 9 19 6 3 7 16 40 46 13 7 13 37 54 100 30 10 5 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 4 4 4 5 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 91 91 s 1H | 80 79 dd 1H J 16 80 | 76 76 m 2H | 74 74 td 1H J 15 81 | 70 69 m 2H | 68 68 m 2H | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nn(-c3cc(O)cc(C(C)(C)C)c3O)nc2c1
ir: 2 7 6 2 5 4 6 4 2 2 4 3 2 0 2 2 1 3 1 1 2 1 4 1 1 1 0 1 2 2 3 6 4 3 2 1 1 1 3 2 1 3 7 1 0 1 2 0 1 4 6 1 3 20 19 4 2 1 1 2 1 1 1 3 2 3 15 20 9 2 1 1 1 0 1 1 1 1 1 1 1 5 27 10 12 4 31 20 27 4 6 1 2 1 1 1 1 1 0 2 2 2 81 5 1 1 3 1 0 1 1 1 0 2 13 7 1 3 1 1 1 0 1 1 1 1 2 2 1 1 2 3 10 2 1 2 2 1 1 1 5 11 4 1 1 2 4 2 1 3 6 5 2 3 3 1 0 0 0 1 0 1 2 7 4 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 3 2 1 0 1 1 1 0 1 1 2 5 4 5 7 33 17 5 5 2 3 18 84 100 52 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 2 1 2 0 0 1 0 1 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; 1HNMR: 79 79 d 1H J 83 | 77 77 s 1H | 76 76 s 1H | 73 73 dd 2H J 21 32 | 71 71 dd 1H J 21 83 | 67 66 d 1H J 22 | 38 38 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncncc1NS(=O)(=O)c1cccc(Cl)c1Cl
ir: 5 6 5 6 8 9 6 7 12 6 6 6 8 7 6 9 7 6 6 6 8 6 7 12 33 9 7 8 9 12 9 9 9 11 18 15 19 10 100 21 9 14 28 10 8 7 12 15 10 10 6 6 6 7 11 7 6 5 7 6 6 5 6 16 4 49 6 5 6 6 5 5 10 7 6 5 7 6 5 5 6 6 5 5 25 72 8 7 20 9 54 7 7 6 5 6 27 5 6 6 5 5 6 6 5 6 15 8 11 6 6 6 32 38 8 6 5 6 12 14 12 54 58 14 11 9 8 11 4 8 13 4 0 55 8 8 7 7 8 7 6 5 5 9 6 5 5 6 5 6 5 6 6 9 11 17 6 7 12 19 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 5 5 5 5 5 5 5 5 5 5 6 5 6 5 5 6 5 5 5 5 6 5 6 6 7 7 18 39 12 7 7 8 6 6 6 5 5 5 5 6 5 5 5 5 5 6 5 6 5 5 6 7 6 29 26 12 9 7 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; 1HNMR: 87 87 d 1H J 16 | 83 83 d 1H J 16 | 83 83 s 1H | 79 79 dd 1H J 12 87 | 76 75 dd 1H J 13 79 | 75 74 dd 1H J 79 86 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCc3ccc(OCC(=O)O)cc3)cc2C1
ir: 1 2 4 5 11 7 5 3 5 7 29 19 10 7 10 2 1 5 6 7 67 100 20 17 6 7 2 2 1 1 1 1 1 1 1 2 4 3 2 3 9 12 12 27 5 8 4 1 1 1 1 0 1 2 6 5 3 4 1 0 1 8 2 1 2 5 14 1 3 4 0 2 2 2 2 2 5 7 32 40 3 6 4 1 2 2 1 32 5 2 1 0 2 1 1 1 2 3 4 2 3 2 1 3 4 1 2 1 2 2 0 2 3 4 6 5 2 5 8 23 15 16 18 6 4 4 7 7 8 9 15 8 1 1 1 3 2 13 2 2 2 3 7 43 9 17 25 36 37 3 3 43 9 3 1 0 0 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 3 3 2 1 1 2 2 4 14 18 8 8 19 9 6 3 1 0 1 1 0 2 5 1 0 1 1 1 1 3 2 1 1 1 2 5 16 27 8 2 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 t 1H J 9 | 73 72 t 1H J 44 | 72 71 dt 2H J 9 86 | 69 68 m 2H | 47 46 s 2H | 45 45 d 2H J 9 | 37 37 m 2H | 36 35 td 2H J 44 53 | 30 29 m 2H | 29 29 tt 2H J 9 52 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2N)cc1
ir: 5 9 5 4 7 4 7 5 5 5 6 4 4 3 5 2 2 2 6 7 6 5 2 3 2 3 3 3 8 7 3 7 10 5 11 14 7 6 5 19 8 5 2 2 3 4 2 3 3 4 3 2 6 10 19 23 13 4 2 2 3 2 3 1 2 4 8 14 5 19 3 2 2 3 2 4 9 5 2 2 1 2 2 2 3 2 2 3 2 8 3 1 1 2 2 5 6 6 4 3 3 1 2 7 3 2 1 2 2 4 3 1 1 1 1 1 4 3 7 3 2 1 1 2 2 2 2 3 3 3 5 4 2 2 3 4 3 1 2 2 2 5 6 4 4 3 3 8 45 31 13 9 12 16 3 13 44 11 7 5 3 0 24 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 4 16 5 13 39 27 6 4 3 2 2 2 1 2 1 1 1 1 1 1 1 2 8 9 1 2 3 4 39 34 7 3 3 6 19 100 15 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: 77 77 s 1H | 76 75 m 2H | 74 74 ddt 2H J 9 15 66 | 74 73 m 5H | 73 73 m 1H | 72 72 d 1H J 82 | 66 66 dd 1H J 20 82 | 62 62 d 1H J 21 | 51 50 t 2H J 8 | 48 48 s 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CC[C@H]2[C@H](CNCc3nc4ccccc4[nH]3)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C
ir: 1 2 1 3 3 1 2 2 2 6 2 3 0 2 3 2 2 1 2 1 2 1 6 3 1 5 3 1 1 1 1 1 2 1 1 0 0 1 1 0 0 3 20 11 2 3 3 3 6 6 1 2 1 3 1 1 1 2 3 1 2 1 2 2 1 1 2 1 1 2 1 3 2 3 3 2 1 1 1 2 2 1 1 1 3 1 3 4 6 14 14 16 3 7 1 2 2 3 1 1 2 2 3 2 2 1 19 1 3 4 20 6 7 1 1 1 1 2 1 1 2 1 1 1 3 1 1 2 3 2 5 2 3 5 3 5 2 1 1 1 1 1 1 1 2 2 2 1 0 0 0 1 12 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 1 1 2 2 2 2 5 2 2 8 8 2 4 2 10 12 100 10 10 4 3 1 2 2 1 1 2 2 3 16 4 1 1 2 1 3 8 8 3 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 76 75 m 1H | 75 74 m 1H | 72 71 m 2H | 47 47 dt 1H J 9 20 | 46 45 dt 1H J 9 20 | 40 38 m 2H | 38 37 m 2H | 36 35 ddd 1H J 51 62 115 | 32 31 d 1H J 59 | 29 28 dt 1H J 49 123 | 28 27 m 2H | 23 22 m 1H | 22 21 m 1H | 19 18 m 1H | 18 12 m 17H | 10 10 s 2H | 9 9 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC1)C(Br)c1ccccc1F
ir: 1 1 1 1 1 1 1 1 0 1 2 3 1 0 2 1 2 2 3 2 0 1 1 2 1 1 1 1 1 1 1 2 2 2 3 3 5 2 6 3 3 47 100 7 3 2 3 2 1 1 1 2 1 3 3 1 2 3 1 1 3 2 1 0 1 1 1 0 2 4 0 0 0 2 2 1 1 1 1 0 3 2 5 7 6 3 4 17 4 7 2 2 2 2 1 2 2 1 4 1 1 1 3 1 3 2 1 1 1 1 3 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 0 1 1 1 0 1 2 3 9 14 6 8 13 19 6 1 5 2 1 23 41 9 5 3 3 1 1 1 1 1 2 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 1 1 2 4 15 8 4 3 7 26 54 25 9 6 2 4 1 2 1 1 2 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dddd 1H J 7 16 36 85 | 74 73 m 1H | 73 72 m 2H | 55 55 m 1H | 26 26 p 1H J 58 | 12 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(C(C)(C)C)cc1C(=O)Nc1cccc2c1CN(C)C2=O
ir: 2 2 3 3 2 2 3 3 3 7 3 4 2 2 2 2 4 3 2 6 3 3 3 2 4 3 3 2 2 6 15 3 2 2 3 2 2 11 47 6 3 2 2 3 14 16 6 6 41 11 16 2 3 2 2 2 2 2 3 3 2 4 3 2 3 2 2 3 3 3 3 4 7 7 3 2 2 2 2 2 2 2 2 2 3 9 4 2 3 2 2 2 2 7 2 2 3 5 2 2 2 2 2 2 2 2 2 2 3 4 2 2 3 3 3 4 2 3 3 7 10 9 3 2 5 4 2 4 3 4 3 16 3 4 3 3 2 2 2 22 4 6 4 4 3 2 3 0 21 5 4 19 100 15 5 1 2 4 5 3 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 4 11 6 4 19 20 8 6 4 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 3 3 5 15 28 10 6 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 dd 1H J 11 82 | 77 76 dd 1H J 11 82 | 74 74 t 1H J 82 | 62 62 s 1H | 43 43 q 2H J 53 | 41 41 s 2H | 31 30 s 3H | 15 15 t 4H J 52 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)n1
ir: 13 5 5 9 1 1 1 3 2 3 1 1 0 3 2 2 3 11 7 6 7 5 4 2 1 1 2 1 3 1 1 2 3 5 2 1 0 2 2 1 2 3 1 1 1 1 1 5 2 2 1 0 3 19 22 9 10 12 4 3 2 0 1 1 1 2 3 25 11 7 4 1 1 2 10 11 7 18 12 2 2 3 14 9 5 21 6 5 1 4 25 3 22 4 6 10 3 1 0 1 1 2 2 1 1 2 17 4 2 4 1 1 1 1 2 3 1 3 5 11 5 5 1 5 9 3 8 3 1 2 1 4 3 1 3 6 21 10 4 9 19 6 6 39 6 10 9 4 2 5 2 3 3 4 16 3 1 1 1 1 1 1 1 8 2 2 2 3 2 3 1 1 0 0 7 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 5 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 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 2 2 1 0 2 4 3 1 8 19 48 53 77 12 13 11 4 3 6 100 48 2 1 1 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 21 | 82 82 m 2H | 82 81 dd 1H J 20 93 | 79 78 t 1H J 64 | 77 77 d 1H J 21 | 77 77 s 1H | 76 76 d 1H J 87 | 76 75 dd 1H J 22 88 | 75 75 dd 1H J 11 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CC=C(c2ccc(F)cc2)CC1
ir: 5 4 10 6 3 10 8 5 5 3 3 3 4 6 3 6 2 2 2 1 1 2 2 1 1 1 1 2 1 1 1 2 3 1 3 1 1 3 2 3 2 0 1 5 3 1 2 1 7 4 10 15 20 56 33 52 33 16 11 3 7 5 8 3 11 20 32 15 28 18 6 4 2 3 4 2 7 7 5 3 3 6 10 16 26 54 45 82 66 52 25 19 8 13 9 14 6 13 7 4 9 6 4 3 1 3 4 4 10 6 2 5 4 12 10 8 17 11 14 9 8 5 5 12 13 9 9 14 18 19 14 3 1 2 2 1 1 1 1 1 1 3 3 3 4 17 71 19 9 1 7 6 3 6 4 5 2 1 1 1 1 1 1 1 1 0 1 0 0 0 0 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 4 6 5 4 3 4 6 2 4 6 11 23 16 56 67 100 88 47 14 10 5 5 10 13 12 1 3 3 1 0 1 2 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 70 70 m 2H | 61 61 tdt 1H J 9 18 62 | 39 38 hd 1H J 18 59 | 34 34 d 1H J 53 | 29 28 m 1H | 27 26 m 1H | 24 23 dtt 1H J 11 61 156 | 22 20 m 2H | 19 18 ddt 1H J 62 92 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnnc1NC(=O)c1ccc(Cl)cc1Cl
ir: 0 9 18 11 5 13 20 9 4 11 18 9 3 13 17 7 3 23 22 8 6 14 16 6 4 14 15 6 9 19 14 4 6 15 13 5 11 26 15 5 13 17 13 3 9 26 27 66 75 52 18 4 16 20 16 7 11 19 10 1 10 17 9 2 10 18 12 18 18 16 8 5 12 16 7 4 12 14 7 5 13 13 8 4 21 15 6 5 28 17 7 6 15 13 4 20 19 11 4 9 16 11 2 11 21 11 3 8 17 10 1 9 18 11 4 10 26 13 3 13 19 9 3 12 19 12 4 26 29 17 4 12 17 20 11 20 23 7 5 13 13 6 6 13 16 8 18 23 22 6 17 20 70 97 26 17 22 8 9 16 15 7 10 16 10 3 9 16 10 2 9 17 9 2 9 17 8 3 10 16 8 3 11 15 7 4 11 14 7 4 11 14 6 5 12 13 6 5 12 13 6 6 13 12 5 6 13 12 4 7 14 11 4 7 15 11 4 8 15 10 3 8 15 10 2 9 16 9 2 9 16 9 3 10 16 8 3 10 15 8 4 11 14 7 4 11 14 7 5 12 13 6 5 12 13 6 6 12 12 6 6 13 12 5 7 13 11 6 8 14 11 5 8 14 11 5 9 16 12 5 11 16 11 18 15 24 38 100 96 27 12 6 11 16 9 4 11 14 9 5 11 14 8 6 12 14 8 9 19 27 23 27 38 34 32 9 15 17 7 7 13 12 5 8 14 11 5 8 13 10 4 8 14 10 4 8 14 10 4 9 15 9 3 9 15 9 4 10 14 8 4 10 14 8 5 10 13 8 5 11 13 7 6 11 13 7 6 12 12 7 6 12 12 6 7 12 11 6 7 13 11 5 8 13 11 5 8 13 10 5 8 14 10 4 9 14 9 4 9 14; 1HNMR: 78 78 d 1H J 85 | 78 77 d 1H J 21 | 76 75 dd 1H J 21 85 | 42 42 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O
ir: 4 7 7 3 3 2 0 1 2 1 2 2 4 3 6 4 4 3 3 1 8 2 2 8 2 1 2 2 9 2 3 7 5 4 8 16 7 10 28 27 11 27 20 3 6 3 1 2 2 1 14 31 3 5 5 45 19 1 2 4 2 1 3 7 9 26 29 28 12 8 5 6 8 3 3 3 2 2 2 2 1 3 3 14 1 1 3 5 10 11 8 8 2 5 10 6 0 3 3 3 2 2 1 2 2 1 2 1 0 1 2 2 3 6 4 5 4 3 12 8 26 28 19 7 15 6 9 12 6 14 5 5 5 7 3 30 8 18 8 8 13 7 4 4 15 29 9 2 3 7 49 11 7 10 4 10 8 3 2 1 20 7 2 1 1 8 3 1 1 1 1 0 1 1 1 1 1 2 1 1 5 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 1 2 1 2 7 4 2 2 4 2 6 11 17 15 18 34 100 33 34 54 10 7 3 3 3 2 2 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 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 76 75 m 3H | 74 73 m 6H | 71 70 tt 1H J 15 64 | 69 69 dd 1H J 13 77 | 67 67 d 1H J 13 | 49 48 m 1H | 36 35 ddd 1H J 37 64 125 | 34 33 d 3H J 11 | 33 33 ddd 1H J 37 64 125 | 26 26 d 1H J 141 | 25 24 ddd 1H J 37 64 137 | 24 23 d 1H J 141 | 23 22 ddd 1H J 37 64 137 | 15 15 s 2H | 15 14 d 3H J 71 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCCc2nc3ccccc3c(NCCOC(c3ccc(F)cc3)c3ccc(F)cc3)c21
ir: 4 3 7 6 8 3 4 7 9 10 5 4 3 4 4 3 7 3 3 6 3 5 11 4 3 6 6 6 3 5 4 2 3 6 5 3 8 6 4 1 2 1 6 18 20 5 4 2 6 6 12 8 8 5 15 17 31 7 3 2 2 4 2 5 2 4 2 2 4 10 6 3 3 1 2 4 2 2 2 1 1 2 6 1 2 3 6 3 4 8 9 14 14 3 3 7 6 6 6 2 2 6 2 2 2 3 2 1 5 6 13 17 1 6 12 9 9 12 15 6 9 1 7 7 5 3 6 7 5 2 1 2 1 1 1 2 10 19 6 4 12 5 1 2 2 3 16 58 17 18 5 2 3 4 11 19 1 2 44 3 2 2 1 1 1 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 3 1 1 3 1 1 1 2 3 2 8 15 25 46 25 4 9 11 19 39 80 7 3 2 1 2 1 1 2 1 1 1 2 5 3 3 2 10 54 100 16 3 3 3 2 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 14 87 | 80 79 dd 1H J 14 74 | 76 75 td 1H J 11 70 | 74 74 ddd 1H J 13 70 85 | 74 73 ddt 4H J 7 35 68 | 71 71 m 4H | 69 69 t 1H J 53 | 57 56 d 1H J 9 | 51 50 q 1H J 56 | 38 37 t 2H J 40 | 36 36 dt 2H J 40 52 | 35 35 d 1H J 53 | 30 28 m 2H | 22 20 m 2H | 20 19 ddddd 2H J 56 73 97 129 226
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(O)c(C)c(Br)c(O)c1OC
ir: 2 2 1 2 5 5 10 21 25 12 10 3 4 5 1 3 3 2 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 2 1 1 2 1 1 2 3 1 1 1 2 1 1 2 2 4 1 1 2 2 1 1 2 1 1 2 3 2 2 2 2 2 2 2 3 8 10 3 2 1 0 6 40 39 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0 2 4 1 100 70 2 2 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 s 1H | 67 66 s 1H | 39 39 s 6H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2[nH]c(C)nc(N3CCOCC3)c-2n1
ir: 2 3 4 6 3 6 4 6 1 4 4 2 7 3 5 6 14 40 21 58 39 10 11 3 4 4 5 9 9 9 8 5 5 3 3 3 3 6 45 16 54 14 4 2 3 3 4 7 31 15 24 18 9 8 5 1 4 4 4 1 4 8 7 3 6 8 4 6 16 27 23 13 58 9 30 9 12 4 2 2 3 3 3 7 13 7 3 3 5 3 2 5 4 6 4 8 8 7 9 11 14 13 11 7 10 6 9 7 4 2 3 4 6 11 12 5 5 30 19 23 5 8 6 10 9 10 7 12 9 11 4 4 7 4 22 41 22 18 6 23 8 4 4 3 13 11 10 4 2 2 3 2 3 21 100 41 3 3 3 0 3 33 33 41 30 1 4 6 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 3 2 1 2 3 2 2 3 6 4 3 3 3 4 4 3 5 4 2 3 6 11 12 19 11 7 4 14 20 8 5 5 4 3 4 3 3 2 2 2 3 2 2 2 3 2 2 4 3 8 11 45 25 15 34 17 7 4 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 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 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 93 93 s 1H | 68 67 q 1H J 11 | 37 37 m 4H | 34 34 m 4H | 26 26 d 3H J 10 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1CCC(C2CCC(c3ccc(C4CCC(CCCCC)CC4)cc3F)CC2)CC1
ir: 3 2 1 4 2 2 2 2 2 2 1 1 3 2 1 2 2 1 1 1 2 9 17 4 3 1 2 3 2 8 20 17 5 3 2 2 3 1 2 5 7 6 3 2 3 2 2 2 1 2 6 10 19 43 32 16 11 9 2 3 2 2 2 6 4 6 4 51 22 19 29 49 12 2 4 4 4 2 2 2 1 2 1 3 3 6 3 3 4 6 9 4 3 3 5 13 7 23 11 12 7 5 6 8 24 18 24 21 30 20 18 15 20 18 29 14 7 15 13 15 17 9 6 13 12 7 10 7 7 10 4 2 5 3 4 3 3 5 26 29 3 5 4 2 2 4 3 2 1 9 10 11 5 19 7 3 3 2 3 3 2 3 6 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 3 3 5 13 18 31 11 14 12 9 24 17 22 50 46 37 73 100 85 28 12 28 13 3 10 6 3 1 2 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 m 1H | 70 70 m 1H | 69 68 m 1H | 58 57 dddt 1H J 10 90 109 163 | 52 51 dt 1H J 20 163 | 50 49 dt 1H J 21 110 | 30 29 m 1H | 28 27 m 1H | 23 22 m 1H | 20 19 ddt 2H J 60 82 128 | 19 18 m 2H | 16 14 m 16H | 14 13 m 2H | 13 12 m 10H | 13 12 m 2H | 12 11 m 2H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCC(O)c1cccs1
ir: 10 3 6 1 0 4 4 2 2 1 5 7 12 5 6 6 9 4 2 3 1 1 1 1 1 2 3 2 1 3 3 1 2 3 6 10 6 12 43 82 32 13 21 37 64 42 40 29 11 2 7 6 7 7 1 4 7 10 9 5 4 9 4 6 2 1 5 9 7 8 4 5 5 3 9 4 7 31 42 9 6 11 35 53 57 100 55 32 10 16 15 9 2 11 4 3 1 8 3 3 1 3 3 8 31 9 4 6 13 20 46 40 17 23 9 24 28 35 25 11 3 12 2 23 12 3 2 8 11 5 5 22 13 2 7 13 23 10 4 2 1 1 1 1 2 11 6 2 2 2 2 3 7 4 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 0 1 1 1 1 1 1 2 2 4 9 6 3 3 4 2 3 2 4 4 4 5 9 4 9 22 39 56 51 18 8 3 21 15 6 7 2 4 2 2 1 4 10 72 93 18 10 4 2 0 1 2 4 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dd 1H J 18 53 | 72 71 ddd 1H J 7 17 64 | 71 70 dd 1H J 53 64 | 48 47 m 1H | 34 34 d 1H J 46 | 29 29 dq 1H J 49 135 | 28 27 dq 1H J 49 136 | 25 24 m 4H | 21 20 ddt 1H J 49 60 139 | 19 18 ddt 1H J 49 60 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=CC(=O)O)c1ccc(C(C)(C)C)cc1
ir: 2 2 2 1 1 1 1 1 1 3 2 11 14 2 1 2 2 2 3 7 3 2 29 22 5 5 4 1 1 3 2 1 1 1 3 1 2 1 1 1 1 1 1 2 1 2 2 2 1 2 1 1 2 4 4 19 2 3 2 1 2 3 4 1 1 1 1 9 2 7 4 4 2 3 3 10 8 10 100 16 6 4 2 1 2 2 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 2 3 6 3 2 1 3 3 3 3 3 2 1 2 2 2 2 4 2 1 2 4 4 2 1 4 27 2 2 1 1 1 2 1 1 1 1 2 17 6 4 2 1 4 2 1 1 1 4 4 1 2 1 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 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 2 1 1 1 1 1 1 1 2 3 6 9 6 16 22 7 2 1 2 1 1 2 4 0 67 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H | 74 74 m 2H | 60 60 q 1H J 13 | 25 24 d 4H J 13 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(c2cc(F)cc(Sc3ccc4c(c3)C=CC4=NO)c2)CCOCC1
ir: 11 47 13 8 13 49 12 6 3 4 4 3 2 9 3 5 3 7 10 27 42 19 9 5 3 2 2 2 2 5 3 4 13 7 13 5 4 3 10 6 77 25 11 0 6 5 3 1 2 3 2 1 3 14 18 4 4 5 3 3 3 4 7 1 3 10 35 38 17 13 13 7 6 70 12 11 6 9 7 6 14 3 2 2 4 3 3 7 7 6 8 23 16 3 2 4 5 9 42 14 11 8 10 12 3 3 8 5 3 2 1 3 3 3 3 4 8 10 11 5 3 4 4 5 8 10 5 6 5 6 6 7 25 11 2 2 2 4 5 9 4 2 1 2 2 2 5 2 2 1 5 3 4 7 4 4 3 4 30 44 17 5 4 6 3 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 2 4 4 3 2 3 5 5 9 14 31 42 20 71 24 19 6 4 5 3 100 28 4 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 77 77 d 1H J 64 | 76 76 d 1H J 20 | 74 73 dd 1H J 21 65 | 71 71 t 1H J 22 | 70 69 dt 1H J 22 123 | 69 68 m 2H | 66 65 d 1H J 86 | 39 38 ddd 2H J 37 64 114 | 38 37 ddd 2H J 38 65 114 | 30 30 s 3H | 22 21 ddd 2H J 38 64 146 | 20 19 ddd 2H J 38 64 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2ccc(C(=O)O)c(NC(=O)c3ccccc3)c2)c1
ir: 1 1 1 1 2 5 3 6 3 2 1 1 1 2 2 2 6 8 3 3 7 29 49 9 3 2 1 2 1 1 6 9 5 4 3 7 7 5 3 5 8 41 7 9 2 1 4 100 22 3 2 5 1 0 1 10 3 0 1 1 1 0 1 1 2 8 15 25 7 6 3 3 9 3 2 6 3 25 9 6 3 2 4 2 1 1 2 3 3 1 1 1 1 0 2 1 0 1 1 6 1 1 1 1 0 0 1 1 0 1 0 4 5 2 1 3 2 3 1 1 4 2 1 4 2 2 2 2 1 1 4 1 1 1 5 1 1 1 3 23 11 35 7 39 6 5 3 18 6 2 2 4 7 6 9 7 41 12 3 2 4 6 1 0 2 1 2 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 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 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 3 3 6 11 50 27 10 4 4 2 3 1 0 4 18 2 2 1 1 1 1 1 1 2 2 2 5 13 17 13 10 2 3 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3H | 79 79 d 1H J 22 | 75 75 m 2H | 75 74 m 3H | 74 74 t 1H J 78 | 73 72 t 1H J 22 | 70 69 ddd 1H J 12 21 79 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)C(Cc1cccc2ccccc12)C(=O)c1ccccc1
ir: 6 4 1 2 8 5 2 4 7 5 2 9 10 2 1 3 6 3 3 4 7 18 11 12 6 2 3 6 6 4 14 18 16 32 23 24 7 6 3 24 26 21 17 31 9 11 62 11 9 4 4 7 3 0 3 6 3 0 6 6 2 0 4 5 3 1 4 6 25 5 13 7 2 2 4 7 7 5 10 6 3 3 5 4 1 2 3 4 1 1 4 4 3 6 6 4 4 10 6 3 2 2 5 5 6 6 9 11 3 5 7 6 0 4 11 17 8 6 6 5 6 8 9 7 8 14 25 14 13 5 9 6 11 11 13 10 7 12 14 8 29 38 60 15 26 35 19 13 11 7 5 5 7 4 4 3 3 7 4 2 3 4 3 1 2 4 3 1 3 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 3 3 1 2 3 3 2 4 8 5 1 3 5 6 6 6 11 10 13 60 83 100 46 15 6 6 2 3 5 3 4 3 4 2 1 3 3 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 81 81 dq 1H J 6 77 | 80 79 dq 4H J 17 82 | 79 78 m 2H | 76 75 m 3H | 75 74 m 6H | 73 72 ddq 1H J 8 16 80 | 49 48 t 1H J 81 | 35 34 dd 2H J 8 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccccc1SCC1CC1
ir: 5 9 13 12 16 70 0 17 20 11 4 9 13 24 8 8 10 7 6 9 7 6 6 7 7 6 6 7 8 6 6 7 7 10 11 11 9 7 7 8 10 12 45 9 9 7 7 8 8 7 7 7 7 7 9 8 7 6 7 8 7 6 7 8 7 11 7 8 9 7 8 9 8 7 9 11 61 14 8 11 7 7 14 19 12 20 31 10 12 10 7 8 7 7 7 7 11 13 7 8 8 8 15 8 8 9 8 7 7 7 7 7 6 7 7 6 6 7 7 7 6 8 7 7 6 7 7 6 7 7 7 7 6 7 7 8 11 9 7 14 12 9 10 7 7 7 8 9 10 7 9 10 7 7 7 7 7 9 8 7 7 7 7 6 6 7 7 6 7 7 6 6 6 7 7 7 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 6 7 6 7 6 7 6 7 7 7 7 7 8 7 7 6 7 6 6 6 7 6 6 6 7 7 6 7 6 6 7 7 7 7 7 7 6 7 7 7 8 7 7 7 6 8 9 8 8 9 11 16 15 41 7 12 7 8 11 15 40 100 11 9 9 6 6 7 8 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 8 7 7 6 7 7 6 6 7 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6; 1HNMR: 73 72 dd 1H J 22 69 | 72 71 m 2H | 69 69 s 1H | 69 68 dd 1H J 19 75 | 28 28 d 2H J 46 | 15 14 m 1H | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(c2nc(C(F)(F)F)c[nH]2)CC1
ir: 4 4 2 4 3 2 2 3 3 2 2 2 3 2 2 3 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 3 3 3 4 2 2 3 3 3 6 6 5 3 3 3 3 9 7 10 7 3 3 10 7 2 4 3 3 4 3 3 12 16 11 12 6 4 7 7 5 5 5 4 9 3 3 3 2 2 3 3 3 7 7 11 10 10 6 7 4 5 4 4 3 4 6 10 22 16 27 9 5 8 15 8 4 21 8 4 11 6 6 4 2 3 4 4 1 24 6 17 5 4 4 3 4 3 4 8 9 5 5 2 2 4 4 3 2 3 5 4 5 4 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 3 2 4 4 9 5 7 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 4 3 6 4 3 2 2 3 2 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 4 3 2 4 10 6 9 22 18 8 4 4 9 13 10 4 8 0 100 7 86 7 9 8 4 8 6 3 3 9 8 8 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 94 94 d 1H J 42 | 78 77 dq 1H J 20 40 | 58 58 s 2H | 18 17 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(N)(CCC#N)C(=O)N2c1ccc(F)cc1
ir: 2 2 2 2 2 2 4 4 2 2 2 2 2 3 4 3 2 1 1 1 2 2 1 2 2 2 2 2 2 1 2 2 1 2 2 4 2 2 6 3 5 2 2 2 1 2 2 3 3 5 1 2 3 0 14 14 3 1 5 4 4 17 5 10 37 25 8 12 10 9 2 1 2 2 3 1 3 6 13 4 100 7 2 2 2 2 4 2 2 4 1 2 2 8 16 6 2 2 2 1 2 3 5 3 2 2 1 2 2 1 1 1 2 2 3 3 3 4 2 4 3 3 5 3 2 2 2 8 28 14 3 2 4 10 56 6 2 2 2 1 1 1 2 2 2 2 2 4 34 6 2 4 8 9 3 2 2 1 1 1 2 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 11 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 2 2 2 2 2 2 5 5 5 9 22 12 5 2 2 2 2 1 2 2 2 3 7 18 24 19 11 6 5 6 13 6 11 66 2 4 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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; 1HNMR: 76 75 m 2H | 73 73 d 1H J 83 | 71 71 m 2H | 70 70 d 1H J 22 | 70 69 dd 1H J 22 82 | 43 43 s 2H | 38 38 s 2H | 28 26 m 2H | 26 25 dt 1H J 71 115 | 25 24 dt 1H J 73 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1C[C@H]2C[C@@H](Nc3cccc(F)c3C#N)CC[C@H]2CN1C(=O)OC
ir: 0 10 4 3 6 11 8 8 5 7 14 26 8 5 3 5 4 4 5 16 12 8 9 3 3 1 2 3 3 6 15 8 2 1 2 7 2 2 2 2 2 2 2 3 3 1 3 100 34 8 3 1 2 2 2 2 2 2 2 1 2 2 2 1 1 7 4 4 4 4 4 2 2 2 4 15 5 4 2 7 10 3 2 2 1 1 1 1 2 2 2 3 4 3 3 4 2 2 2 2 2 2 3 10 6 7 11 9 7 5 5 4 11 11 2 4 5 8 8 6 8 6 7 4 3 3 5 5 3 7 3 10 9 4 4 4 2 4 4 2 8 7 22 15 27 4 2 3 4 2 28 43 6 3 2 2 13 2 4 13 9 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 2 1 1 1 2 1 1 1 1 1 2 2 3 2 3 4 2 4 2 6 3 4 4 3 17 4 7 8 15 6 6 2 2 2 2 1 2 2 2 1 2 3 2 2 2 2 3 5 11 6 15 35 33 13 7 6 5 1 2 2 2 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 1 1 1 1 1; 1HNMR: 74 74 td 1H J 52 78 | 71 71 ddd 1H J 12 77 102 | 68 68 dd 1H J 12 80 | 48 48 d 1H J 88 | 43 43 ddd 1H J 38 66 93 | 42 41 m 2H | 38 37 dd 1H J 24 115 | 37 37 s 2H | 36 34 m 2H | 22 21 m 2H | 21 20 m 1H | 20 19 m 3H | 18 16 m 3H | 16 15 m 1H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
ir: 1 4 3 3 2 1 2 2 3 1 2 1 0 3 3 4 3 3 3 2 2 1 1 0 1 1 1 1 1 1 6 9 7 9 4 6 8 7 9 3 22 21 8 6 8 6 6 4 3 5 2 0 5 19 26 37 3 6 2 4 3 4 1 2 1 2 7 4 5 3 4 4 4 2 6 3 2 4 1 3 2 1 1 0 2 4 2 1 4 8 2 2 1 1 1 1 4 4 14 46 7 2 0 1 2 1 2 11 5 2 4 24 20 17 10 10 13 10 7 7 6 4 4 3 1 2 10 6 5 5 1 3 2 2 3 23 16 7 3 2 2 2 3 25 25 2 1 2 7 9 2 4 3 7 1 1 1 0 1 1 1 1 5 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 2 2 0 1 2 1 0 1 3 2 1 13 22 7 100 14 8 4 4 1 1 3 2 1 1 2 2 1 2 3 2 4 8 37 21 8 4 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dq 2H J 14 77 | 74 73 d 4H J 50 | 74 73 m 1H | 71 71 m 2H | 57 57 dd 1H J 55 64 | 31 29 m 2H | 25 24 m 4H | 23 21 qq 2H J 57 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NC1CCCCC1=O
ir: 8 17 7 7 8 6 8 5 7 10 12 8 14 12 8 18 25 25 8 8 8 6 8 5 8 12 8 6 5 4 4 5 5 3 3 5 5 4 5 12 7 4 5 6 4 3 9 7 10 6 4 4 4 8 5 6 14 34 5 6 4 3 4 4 4 3 5 17 6 4 6 10 4 4 5 5 9 12 11 8 7 5 5 5 4 4 4 4 4 9 6 6 5 8 5 6 21 25 45 15 6 5 5 6 4 8 13 5 5 5 12 13 6 7 12 15 48 25 9 17 8 9 20 19 10 19 4 6 4 5 4 4 4 4 4 4 4 4 4 4 5 7 10 19 57 19 10 4 4 5 6 3 3 4 4 3 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 6 4 0 100 6 6 3 3 5 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 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 4 4 5 4 3 4 5 5 7 12 7 17 5 5 5 6 9 7 7 76 7 5 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 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 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 42 41 m 1H | 28 27 ddd 1H J 54 75 147 | 26 26 ddd 1H J 53 77 146 | 20 19 m 1H | 19 18 m 1H | 19 17 m 1H | 18 17 m 1H | 17 17 m 1H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(N)c(C(=O)OC)c1
ir: 7 12 7 8 9 6 3 7 29 20 20 12 29 14 11 13 11 8 5 6 6 4 7 5 6 4 4 2 3 4 3 3 3 3 3 3 6 8 30 5 10 6 5 3 4 4 4 4 4 3 4 11 6 7 9 21 6 3 4 4 3 4 3 7 6 3 3 4 4 6 5 4 3 3 3 5 8 6 3 3 3 4 8 9 5 3 4 5 6 4 4 3 3 4 6 4 5 4 3 3 6 6 4 3 3 3 3 3 3 4 5 7 4 4 4 4 7 4 4 6 5 5 7 7 3 5 5 4 3 3 2 3 4 3 4 3 3 6 5 3 4 3 2 3 3 3 3 5 6 4 4 5 20 52 16 14 25 63 44 12 11 5 4 12 13 7 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 4 5 4 4 4 5 4 4 3 3 6 6 10 11 13 15 6 5 3 4 4 4 4 3 2 3 4 2 2 4 5 5 14 21 6 3 3 4 5 6 6 7 8 0 38 100 84 15 7 0 1 5 4 1 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 77 77 dt 1H J 9 19 | 71 70 ddt 1H J 9 20 84 | 68 67 d 1H J 82 | 66 66 s 2H | 39 38 s 2H | 26 26 tt 2H J 9 84 | 16 15 tt 2H J 67 84 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
ir: 1 4 5 6 0 4 7 5 4 13 15 16 11 5 3 2 1 3 3 2 0 3 4 1 1 6 18 14 14 6 6 2 3 4 5 6 6 15 39 14 6 12 11 2 2 6 3 2 2 4 3 1 3 15 8 91 65 31 23 30 4 7 8 2 2 3 2 1 4 29 2 1 2 3 1 1 2 4 1 0 7 7 3 9 13 2 16 3 6 5 10 4 3 2 2 3 9 3 1 2 3 2 1 1 4 9 1 2 3 2 0 2 3 2 2 10 46 46 9 10 17 14 17 6 9 16 41 12 9 7 5 4 3 2 1 2 3 2 9 31 33 4 4 15 17 42 13 14 28 7 11 21 9 1 2 5 3 1 2 3 2 5 6 3 2 1 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 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 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 3 3 2 1 2 3 3 1 2 5 6 9 19 26 77 100 18 18 12 4 6 6 5 4 4 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 m 2H | 77 77 m 2H | 76 76 m 2H | 74 73 m 2H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(-c3nc4c(N[C@H]5[C@@H](C(N)=O)[C@@H]6C=C[C@H]5C6)ccnc4[nH]3)cc2)CC1
ir: 1 2 1 2 2 3 3 3 4 4 3 7 13 13 13 15 6 9 7 12 14 10 10 22 17 20 39 23 6 14 9 7 8 4 12 8 11 2 7 15 7 6 3 2 2 3 6 12 3 4 2 1 2 5 9 26 10 7 9 5 4 6 3 2 2 2 4 6 4 6 3 5 11 13 8 4 2 7 4 7 23 4 4 4 8 2 3 1 3 1 2 3 3 2 3 6 9 6 8 3 4 4 2 3 4 3 6 4 8 4 3 7 11 6 3 2 2 2 2 2 2 2 5 5 2 2 1 1 2 2 2 2 2 2 4 7 11 11 43 13 4 5 8 15 14 5 9 9 4 2 6 17 4 2 5 11 39 100 23 6 21 9 3 1 4 6 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 8 2 2 5 10 22 27 26 5 4 3 2 1 1 2 1 1 1 1 1 1 1 2 3 5 2 4 3 4 7 12 64 27 13 10 5 19 42 22 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 44 | 79 79 m 2H | 68 67 m 4H | 64 64 s 2H | 63 62 ddtt 1H J 9 18 55 82 | 62 61 ddtt 1H J 9 18 56 75 | 43 43 dddd 1H J 17 37 64 80 | 33 32 t 4H J 47 | 32 32 dt 2H J 47 112 | 31 30 m 1H | 29 29 d 3H J 44 | 29 28 m 2H | 27 27 ddt 1H J 18 39 60 | 21 20 dddt 1H J 9 30 38 121 | 18 17 ddddd 1H J 9 18 28 37 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2Br)C1
ir: 0 2 2 2 4 2 4 2 2 4 3 5 2 4 4 4 5 6 7 6 3 9 4 5 8 4 2 2 2 3 1 1 1 3 2 1 3 2 2 1 4 68 17 4 2 1 2 1 2 3 1 1 1 1 5 5 11 7 5 1 1 2 4 2 2 1 2 5 1 8 1 1 1 1 1 1 4 4 10 8 2 1 12 5 8 3 4 2 2 3 6 7 4 3 7 10 3 44 20 64 16 27 11 9 9 2 10 2 2 2 1 1 3 3 1 1 1 1 2 1 2 6 4 4 1 1 1 1 2 3 4 1 1 1 1 1 1 25 3 3 2 1 4 4 15 1 9 3 2 7 8 10 7 7 5 18 3 1 1 2 1 20 1 11 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 1 6 6 7 29 7 3 3 1 19 100 70 7 3 1 2 1 1 1 1 1 1 1 1 1 2 3 10 18 17 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 96 96 s 1H | 88 87 d 1H J 16 | 82 82 d 1H J 16 | 77 76 m 2H | 73 73 m 2H | 37 36 m 1H | 36 35 ddd 1H J 43 61 135 | 36 35 s 1H | 35 34 m 2H | 21 21 ddd 1H J 42 60 128 | 19 18 ddd 1H J 42 60 128 | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(CBr)CN1Br
ir: 1 14 72 43 73 11 11 6 4 4 5 3 2 4 4 3 5 7 4 3 4 8 4 3 3 6 5 3 3 6 7 6 3 5 4 6 4 6 4 2 6 8 7 5 3 5 4 2 3 4 4 3 3 5 3 2 3 5 4 2 3 5 6 8 8 5 3 3 3 4 4 4 6 29 25 4 3 4 4 4 92 45 0 1 5 5 2 3 5 5 3 3 5 4 2 2 6 14 14 11 7 8 3 4 5 6 10 26 14 6 5 8 11 8 4 5 9 11 11 13 7 6 6 64 84 88 10 8 8 4 2 4 5 3 2 5 5 2 2 5 5 2 1 6 6 0 2 12 20 100 69 39 1 7 5 2 2 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 4 4 3 5 4 3 3 6 7 9 9 5 6 6 5 7 9 7 15 21 5 3 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 52 52 p 1H J 25 | 43 43 dd 1H J 25 133 | 41 40 dd 1H J 24 134 | 38 37 dd 1H J 24 114 | 35 35 dd 1H J 24 114
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OCCC1OCc1ccc(Br)cc1
ir: 9 10 21 38 59 18 4 9 13 5 2 8 11 12 11 18 12 11 7 7 8 5 3 6 6 4 4 6 6 2 2 5 5 4 10 10 5 4 3 6 6 4 10 13 8 14 11 16 13 23 30 44 59 37 15 61 70 4 10 17 12 1 10 16 8 16 24 23 38 16 8 15 9 8 10 29 19 12 16 6 3 2 5 6 2 4 7 9 1 1 13 10 49 27 13 7 11 21 5 9 2 3 6 4 2 5 7 8 10 9 9 40 20 9 17 10 10 35 19 11 8 16 26 32 6 11 11 11 3 8 6 5 2 5 5 3 2 4 4 3 5 6 7 38 100 96 57 14 10 13 8 5 9 9 5 1 3 7 4 1 3 7 4 1 3 7 4 0 3 6 4 0 3 6 3 0 4 7 3 1 4 6 3 1 4 6 2 1 4 6 3 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 5 2 3 5 4 3 3 5 4 2 4 5 6 6 9 11 16 7 10 9 13 13 12 19 63 36 35 97 57 20 17 14 5 0 5 9 5 1 4 6 2 1 4 6 2 1 5 5 2 1 4 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 75 75 m 2H | 73 73 dt 2H J 9 82 | 47 47 dt 1H J 9 123 | 46 45 dt 1H J 9 121 | 43 42 m 2H | 42 41 ddd 1H J 37 55 112 | 25 24 m 1H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(/C=C/c2nc3n(n2)CCC3(O)c2ccc(F)cc2)ccc1-n1cnc(C)c1
ir: 6 4 5 4 7 4 4 4 4 5 4 7 5 6 23 6 4 5 5 4 5 7 8 11 7 4 5 5 4 4 4 5 7 52 9 4 4 4 5 6 7 11 28 2 6 11 9 4 5 12 5 3 5 14 37 62 6 0 7 11 4 4 7 6 5 5 5 7 6 14 7 8 7 8 10 5 8 5 5 5 5 9 12 36 15 6 8 18 12 6 5 6 6 12 5 7 6 8 11 8 6 8 8 9 7 6 6 18 6 18 11 10 7 18 24 12 11 17 13 12 26 8 4 22 12 17 11 16 10 27 18 6 4 4 6 7 4 4 11 11 16 13 9 4 4 7 5 5 26 11 10 9 5 11 6 5 5 5 4 3 4 4 4 6 4 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 3 5 5 4 7 5 4 5 5 9 6 8 8 11 5 5 8 19 25 100 73 80 26 42 52 10 22 16 11 14 5 5 4 4 4 4 3 3 4 4 3 3 4 4 4 4 3 3 3 3 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 3 3 3; 1HNMR: 79 79 d 1H J 18 | 75 75 d 1H J 81 | 75 74 m 2H | 73 73 m 1H | 73 72 m 2H | 71 70 m 4H | 46 45 ddd 1H J 45 62 156 | 45 45 s 1H | 44 43 ddd 1H J 45 63 156 | 39 39 s 2H | 29 29 ddd 1H J 45 63 165 | 27 26 ddd 1H J 44 62 165 | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@@H](CO)[C@H](O)C2)c(-c2cncs2)c1
ir: 1 2 2 3 3 2 8 2 9 15 7 2 11 7 10 2 2 1 4 2 2 2 3 0 1 1 0 1 1 0 2 1 2 5 2 5 2 0 0 3 1 5 12 3 1 5 3 7 3 7 2 1 4 6 6 6 38 1 2 2 1 3 3 1 1 2 1 1 4 5 2 1 1 2 3 2 1 1 2 3 1 1 1 4 2 1 6 8 8 38 22 25 5 8 9 3 6 15 1 6 3 5 4 8 7 2 1 0 1 3 1 1 0 1 1 1 1 2 1 1 0 1 0 3 3 3 3 3 6 1 1 1 1 1 0 1 1 0 0 1 1 4 20 3 5 12 1 1 2 4 3 12 5 9 2 0 1 1 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 0 1 1 1 0 2 1 1 3 2 11 13 20 4 4 2 2 8 100 5 5 2 1 1 1 1 1 0 0 1 1 2 2 2 7 7 10 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 d 1H J 16 | 87 86 s 1H | 83 83 d 1H J 16 | 82 82 d 1H J 16 | 78 78 dd 1H J 16 78 | 77 76 m 2H | 73 73 m 2H | 70 70 d 1H J 78 | 42 42 dddp 1H J 16 34 50 65 | 39 38 m 2H | 38 37 dtd 1H J 18 54 109 | 37 36 m 2H | 35 34 m 4H | 23 22 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)OC)c(C(=O)O)c1)=NC(C)(C)C2
ir: 6 4 4 6 4 3 6 6 7 6 12 7 9 9 13 6 9 18 46 15 46 100 53 35 14 7 11 13 6 2 1 3 3 1 3 3 1 3 6 4 1 3 0 1 1 0 0 2 7 0 1 2 2 4 7 37 1 1 2 1 1 2 2 5 4 0 12 5 10 9 3 2 2 7 7 25 10 13 8 11 15 5 2 5 6 6 4 4 6 3 1 1 1 1 1 2 1 0 1 1 1 5 2 3 4 11 4 3 5 2 3 40 13 13 12 4 1 3 14 16 7 10 6 3 4 14 16 9 5 6 3 9 2 1 2 1 1 24 31 5 4 4 13 7 9 3 2 2 4 1 7 7 4 1 2 2 1 0 0 0 1 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 0 0 1 2 3 3 1 1 1 0 8 6 17 15 23 36 11 3 1 3 1 1 1 0 1 11 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 79 | 80 79 d 1H J 22 | 79 78 dd 1H J 21 80 | 67 66 d 1H J 9 | 42 41 q 2H J 63 | 39 39 s 3H | 32 32 s 2H | 29 29 d 2H J 9 | 15 14 t 3H J 63 | 15 14 s 7H | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
ir: 4 7 1 5 0 2 3 3 1 7 10 3 3 4 3 3 1 1 1 1 2 2 1 2 2 2 4 12 30 8 5 4 2 15 4 1 8 6 4 9 9 3 3 7 4 8 5 4 2 8 2 1 3 3 6 16 7 7 2 2 1 4 2 1 3 11 12 2 3 15 1 0 1 2 1 1 2 2 3 0 1 1 0 0 1 1 1 12 8 7 1 0 1 1 1 2 4 2 6 10 3 1 0 1 2 5 1 0 1 1 2 1 1 1 1 1 3 3 3 3 7 3 3 3 7 4 5 4 7 7 4 6 2 5 6 11 7 1 0 3 2 2 23 54 11 4 2 2 29 11 13 4 5 2 1 1 1 0 0 0 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 2 0 1 1 2 1 3 2 1 2 4 4 12 24 15 24 100 21 6 3 1 2 3 2 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 2 22 8 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: 74 74 ddt 2H J 9 15 66 | 74 73 m 2H | 73 73 m 1H | 71 71 dt 2H J 9 89 | 69 68 m 2H | 53 53 d 1H J 81 | 51 50 t 2H J 9 | 47 46 dt 1H J 67 81 | 36 35 s 3H | 32 31 ddt 1H J 9 68 140 | 30 30 s 3H | 28 28 ddt 1H J 9 68 141 | 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)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=S
ir: 4 9 5 2 2 4 4 3 3 3 4 4 4 4 4 6 4 4 6 5 3 4 4 8 6 36 22 14 5 13 26 10 22 40 8 7 12 7 6 12 6 3 5 1 2 2 1 1 3 2 2 1 2 3 5 11 8 8 4 2 1 3 3 1 4 4 4 0 6 11 2 2 3 2 1 1 2 3 2 3 2 2 1 1 2 2 2 7 4 2 1 1 2 2 2 5 10 11 1 3 3 2 1 2 4 3 2 2 2 2 1 6 2 3 2 2 3 3 7 9 11 13 7 3 4 6 3 3 5 5 4 3 6 1 2 10 1 2 1 1 3 3 12 23 17 5 5 5 20 21 20 8 11 2 2 4 11 12 17 3 2 1 1 2 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 1 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 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 2 1 2 2 2 1 2 2 2 2 4 5 3 9 14 10 15 31 10 6 2 3 2 2 2 1 2 2 2 2 2 2 2 0 4 46 13 4 3 6 3 8 35 16 5 4 4 8 100 10 3 4 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 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; 1HNMR: 74 74 ddt 2H J 9 15 67 | 74 73 m 2H | 73 73 m 1H | 73 73 s 2H | 71 71 dt 2H J 9 89 | 69 68 m 2H | 58 57 d 1H J 73 | 51 50 t 2H J 9 | 43 42 dt 1H J 59 73 | 33 32 ddt 1H J 9 59 146 | 30 30 ddt 1H J 9 60 145 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)C(F)(F)C1CCN(C(=O)Nc2ccnnc2)CC1
ir: 1 5 11 4 5 4 10 6 1 5 6 6 4 3 4 2 3 8 100 4 6 7 5 4 5 2 2 1 5 3 2 3 2 2 1 2 1 2 12 15 9 4 11 4 9 28 5 1 1 5 3 1 4 5 35 11 4 1 3 1 1 2 2 2 17 4 28 8 3 3 2 11 19 11 5 3 3 2 1 1 2 4 26 4 12 8 2 1 17 2 2 1 3 2 2 12 4 5 12 4 4 8 3 5 5 14 3 4 5 12 4 7 13 20 7 8 9 4 3 2 4 3 2 4 3 12 32 7 3 2 1 2 3 1 1 2 2 1 1 2 6 3 1 15 10 2 1 2 3 3 12 12 34 29 9 3 3 1 1 2 3 20 3 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 7 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 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 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 2 3 4 3 3 3 1 3 4 5 6 5 4 17 33 26 19 4 2 2 3 1 1 1 2 1 1 1 2 2 1 2 2 2 1 3 3 7 6 25 9 7 3 1 3 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 95 95 d 1H J 20 | 92 91 d 1H J 40 | 83 83 s 1H | 82 81 m 2H | 78 77 m 1H | 77 77 dd 1H J 20 40 | 38 37 ddd 2H J 75 102 128 | 36 35 ddd 2H J 75 102 128 | 28 26 dqd 1H J 74 82 156 | 22 21 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1cccc(Cl)n1)N(F)N(F)F
ir: 1 2 3 3 8 11 6 4 2 3 4 3 4 3 5 6 8 5 5 5 6 6 19 12 6 8 7 3 4 3 2 3 10 3 4 3 2 2 2 2 3 16 20 6 4 2 14 33 14 5 5 1 6 9 12 5 17 15 2 1 2 2 2 6 5 5 2 2 2 3 1 1 2 2 2 1 5 18 13 8 3 6 3 2 2 2 3 5 3 2 2 2 2 2 1 3 3 2 2 5 2 2 2 2 2 2 2 1 2 1 1 2 2 2 2 4 3 2 2 2 2 2 2 2 4 9 8 7 3 2 1 5 24 29 7 8 13 35 41 68 7 5 2 16 4 6 16 20 4 4 3 2 2 29 70 100 21 0 1 3 2 0 2 3 2 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 4 4 3 5 7 3 5 3 3 3 4 8 7 6 5 43 45 8 4 2 2 2 2 2 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 77 76 m 1H | 74 74 dq 1H J 10 78 | 71 71 dd 1H J 13 79 | 37 37 dd 2H J 9 18
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Cl)c2c(n1)CCCC2
ir: 4 6 3 3 6 4 4 3 3 3 3 2 4 5 5 4 12 4 9 5 4 4 3 4 6 4 3 3 2 3 4 3 4 5 13 26 26 38 29 16 12 9 5 7 2 6 6 10 9 7 4 3 3 3 3 2 2 2 1 2 2 2 1 0 2 2 2 1 1 2 1 1 4 5 1 1 1 1 1 0 1 1 0 0 1 1 1 0 3 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 2 2 1 3 4 3 4 1 1 2 2 2 1 2 3 3 1 1 2 4 4 3 2 1 1 2 2 2 2 1 2 2 4 4 5 24 17 25 5 7 41 100 23 5 1 2 2 1 1 1 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 2 1 2 2 1 1 1 1 3 2 1 1 0 1 1 1 1 1 1 1 1 2 2 1 0 1 1 1 1 5 9 12 5 3 2 1 0 1 2 0 1 3 33 70 7 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 59 59 s 2H | 27 26 m 4H | 21 20 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1
ir: 2 4 11 7 5 2 3 6 7 2 1 13 6 3 6 8 2 18 15 11 5 44 61 53 7 5 5 3 4 4 5 15 22 13 25 9 4 9 6 3 3 8 13 14 14 8 5 4 9 14 14 30 38 40 22 90 15 8 5 3 5 2 2 3 3 3 9 9 10 3 5 2 3 3 9 6 11 6 8 13 67 4 2 2 2 2 3 13 6 3 2 5 4 6 9 5 4 8 5 26 13 2 3 2 4 4 27 2 4 25 4 11 81 10 5 3 1 3 1 5 7 8 6 6 1 10 32 22 16 9 4 8 3 3 3 2 2 2 2 3 13 35 7 35 20 58 13 22 10 7 15 7 23 100 11 35 15 5 2 2 1 1 1 2 4 14 2 2 1 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 4 3 3 2 3 2 3 2 3 6 15 15 7 19 94 34 10 5 2 4 3 3 2 3 2 2 2 1 2 1 2 3 2 4 7 6 5 52 52 62 45 19 39 17 8 7 1 3 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 92 s 1H | 80 79 d 1H J 21 | 77 76 d 1H J 82 | 76 75 dq 2H J 13 72 | 75 75 dd 1H J 20 82 | 73 73 dt 2H J 10 70 | 70 70 s 1H | 50 49 dtdd 1H J 15 59 75 90 | 31 31 d 3H J 14 | 30 29 ddt 2H J 9 82 89 | 27 26 t 2H J 81 | 12 12 d 6H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(C2COc3cc(O)ccc3N(Cc3ccc(OCCN4CCCCC4)cc3)C2)cc1
ir: 1 3 3 3 2 2 2 3 3 3 2 3 4 3 2 4 2 5 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 2 3 1 3 4 14 9 16 15 3 2 1 1 2 1 4 4 13 4 3 2 10 3 2 3 2 1 1 2 6 4 4 7 13 15 4 13 3 3 9 3 11 3 6 2 3 2 2 5 5 4 1 1 1 2 2 1 1 4 3 2 1 3 0 1 1 1 1 1 1 2 2 1 1 1 2 2 2 3 1 0 2 2 2 1 1 0 1 1 1 1 0 0 0 1 0 0 1 3 4 10 3 5 3 9 4 4 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 0 1 2 3 3 9 53 12 1 3 3 2 2 13 100 12 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 77 77 s 1H | 72 72 dt 2H J 9 91 | 71 70 m 2H | 69 68 m 3H | 68 67 m 2H | 66 66 dd 1H J 22 92 | 64 64 d 1H J 22 | 46 45 m 2H | 45 44 dd 1H J 59 117 | 42 42 m 1H | 42 41 m 3H | 39 39 dd 1H J 60 122 | 33 32 dq 1H J 58 67 | 30 30 t 2H J 59 | 25 25 m 4H | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C)cc1CN
ir: 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 3 2 1 2 2 2 2 1 1 1 0 0 1 1 1 1 1 1 1 1 3 2 1 3 3 2 0 0 1 1 0 1 2 2 1 1 1 5 18 2 3 2 5 6 11 23 5 7 9 3 3 8 6 7 5 8 96 94 16 10 3 6 1 3 11 4 3 1 2 2 3 2 2 2 1 1 4 1 2 1 1 1 1 1 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 2 1 3 2 6 3 9 2 8 15 6 4 6 13 9 5 8 25 36 10 4 4 4 3 1 2 2 2 5 2 1 1 0 1 3 4 1 1 2 2 0 1 1 1 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 4 21 10 2 1 2 2 1 1 3 6 3 6 2 9 7 11 10 13 9 10 11 10 100 87 5 5 4 5 2 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 72 d 1H J 19 | 70 70 ddd 1H J 9 23 85 | 68 67 d 1H J 85 | 40 39 td 2H J 9 64 | 38 38 s 3H | 22 22 d 3H J 8 | 16 16 t 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C(C)=O)C(=O)c1ccc(Cl)cc1Cl
ir: 0 2 3 2 3 4 1 1 1 1 25 3 2 15 3 12 6 15 6 2 1 1 1 3 3 3 1 6 4 4 1 1 2 1 1 4 4 0 1 1 1 0 1 3 27 2 1 1 1 4 2 1 2 8 24 14 2 1 1 1 1 0 2 3 2 23 34 3 3 9 10 6 7 4 1 1 0 1 1 0 1 1 1 5 2 2 1 1 1 0 1 1 0 0 1 0 1 3 3 4 4 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 2 2 4 7 5 5 13 7 4 8 12 40 25 6 7 3 1 3 5 62 8 3 2 4 14 57 53 8 9 8 4 9 6 1 1 1 3 1 0 1 1 1 2 2 5 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 1 1 1 1 1 2 4 2 4 6 14 3 14 19 14 12 100 16 12 9 4 1 2 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 86 | 75 75 d 1H J 21 | 74 73 dd 1H J 20 86 | 48 48 hept 1H J 15 | 23 23 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)c[nH]c1CC(=O)NC[C@H](O)CN1CCOCC1
ir: 9 10 18 17 13 15 39 17 15 22 14 21 18 29 16 16 20 14 15 14 15 12 16 13 11 13 19 12 16 23 34 41 30 22 23 18 19 8 10 10 10 9 9 10 10 11 14 24 17 11 9 17 16 68 50 21 12 11 10 9 11 9 9 11 11 10 10 14 11 9 11 10 22 16 12 11 15 8 9 14 17 12 11 10 12 10 13 13 27 26 27 14 20 10 8 9 10 11 14 10 11 13 12 11 13 24 13 10 0 34 9 34 14 15 15 9 11 13 12 11 11 10 14 14 10 9 8 9 13 16 10 9 10 9 7 23 10 9 8 8 9 8 11 15 25 17 100 33 11 10 10 9 8 14 31 33 11 8 8 8 8 8 8 8 8 7 7 8 8 7 7 8 8 7 8 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 7 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 8 7 7 8 8 7 8 8 7 7 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 8 8 8 7 8 8 8 7 7 8 8 8 8 9 8 8 9 8 9 9 10 10 10 9 9 9 11 18 17 10 9 8 8 9 14 17 9 10 43 38 12 8 8 9 8 8 8 8 8 8 9 11 16 16 37 75 23 36 81 16 13 10 9 8 8 8 8 8 7 8 7 7 7 7 7 7 7 7 8 8 8 8 8 7 7 8 8 7 7 7 8 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7; 1HNMR: 75 74 t 1H J 67 | 66 65 m 1H | 44 43 d 1H J 59 | 43 43 q 2H J 64 | 41 40 dp 1H J 51 60 | 39 38 s 2H | 37 36 t 4H J 44 | 35 34 ddd 1H J 52 68 132 | 32 31 ddd 1H J 51 66 130 | 29 28 dd 1H J 49 126 | 28 27 m 2H | 27 25 m 3H | 25 25 s 2H | 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.
CN(C)C(=O)CCc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12
ir: 3 6 1 7 7 5 3 7 4 23 14 12 9 15 8 6 10 12 3 7 5 6 10 3 7 3 6 10 6 3 5 6 3 4 5 7 18 2 4 10 4 1 6 6 4 3 2 3 3 1 2 3 3 7 19 14 4 2 3 9 3 3 6 7 8 29 33 20 5 1 3 4 2 7 4 1 2 2 3 3 4 10 77 76 20 8 5 10 4 2 5 5 11 3 8 7 1 3 4 3 4 10 5 5 15 4 5 4 12 8 3 3 1 7 10 7 2 13 8 19 19 16 9 10 16 20 28 14 22 17 17 14 31 14 8 3 18 7 12 11 6 4 4 3 5 26 25 52 11 5 3 2 7 5 29 18 2 3 2 0 1 3 3 27 13 4 1 0 1 3 2 0 1 3 1 1 1 3 1 1 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 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 3 4 3 3 6 2 2 4 6 2 2 3 3 4 5 7 22 27 10 12 24 33 8 3 3 2 1 8 100 42 2 3 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 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 80 80 s 1H | 78 77 d 1H J 91 | 74 73 d 1H J 22 | 68 67 dd 1H J 22 90 | 31 30 t 2H J 74 | 29 29 s 6H | 28 27 t 2H J 74 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(N)Cc2cc(OC)cnc2S1
ir: 4 3 0 2 2 9 5 1 2 2 1 1 1 1 2 3 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 0 4 19 4 2 2 1 1 1 0 0 1 1 1 1 1 1 1 2 2 3 1 2 1 2 6 4 15 15 34 4 2 4 6 6 11 4 4 1 1 1 1 2 4 4 2 2 4 3 2 5 3 2 4 9 10 5 6 6 9 2 1 3 3 0 2 2 4 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 3 2 2 3 1 10 4 5 4 1 2 2 4 2 8 15 13 2 3 2 1 1 1 1 0 1 2 2 14 6 22 3 1 1 1 1 0 1 2 2 1 0 1 1 0 3 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 2 1 1 1 1 1 2 1 5 1 2 5 1 1 1 1 1 0 1 1 1 1 1 1 3 7 9 5 5 4 9 3 2 100 3 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 18 | 71 70 dt 1H J 9 16 | 39 39 s 3H | 38 37 s 3H | 36 35 dd 1H J 8 160 | 34 33 dd 1H J 9 159
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccc(O)cc2Cc2ccc(O)cc21
ir: 0 0 1 1 0 0 0 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 12 8 0 0 0 0 0 0 0 0 0 0 1 1 5 3 2 1 0 0 1 0 0 0 0 1 2 3 4 1 0 0 0 0 0 0 0 0 1 1 16 3 11 16 10 3 20 1 0 0 1 2 1 1 1 2 1 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 5 1 1 0 0 7 1 3 1 0 0 0 0 2 0 0 0 0 0 0 0 2 1 2 0 0 1 3 1 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 17 6 1 0 1 1 1 5 100 9 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 78 77 d 1H J 92 | 73 73 d 1H J 30 | 72 71 dt 1H J 9 88 | 69 68 ddd 2H J 25 88 101 | 68 67 dt 1H J 8 19 | 62 62 s 1H | 44 43 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCCc2ccc(C)nc21
ir: 24 13 9 8 10 24 13 13 9 7 11 7 6 4 5 6 6 5 4 8 6 4 5 5 6 10 19 11 8 6 11 7 10 9 9 9 7 5 6 7 9 17 6 5 5 3 11 19 12 4 7 15 41 43 19 16 5 4 5 10 6 4 5 13 24 6 12 25 24 30 8 5 6 4 8 5 5 4 5 5 4 4 5 5 4 4 6 14 19 13 10 6 6 7 6 14 7 5 16 25 10 9 6 6 5 5 7 6 5 6 11 12 10 31 37 28 14 17 20 20 14 12 8 8 8 7 7 6 8 6 11 6 5 6 10 0 94 63 14 11 5 6 11 4 26 33 100 21 15 13 63 82 21 6 5 5 6 8 20 11 5 4 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 5 7 6 5 5 6 7 8 6 7 9 10 14 16 22 26 19 19 32 22 7 10 6 5 5 5 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 4 4 4 4 4 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; 1HNMR: 72 72 dt 1H J 8 77 | 71 70 dq 1H J 9 80 | 38 37 m 1H | 37 37 s 3H | 29 28 m 2H | 25 25 d 3H J 7 | 23 22 m 1H | 21 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1c(C(=O)OC)sc2cc(C=C(Br)Br)ccc12
ir: 14 23 16 18 6 8 2 7 6 10 14 5 1 18 18 5 5 4 6 4 3 4 5 4 22 11 6 13 22 31 13 3 8 26 2 4 3 2 2 1 1 3 2 2 3 4 7 3 2 1 3 3 4 10 22 12 42 11 7 20 11 19 12 25 8 29 28 35 14 2 2 2 2 2 2 14 6 5 3 8 5 2 4 9 33 5 3 1 2 4 30 5 5 3 0 1 3 2 2 4 13 15 32 11 7 7 1 1 2 2 1 2 6 12 0 9 30 8 8 11 25 10 11 11 14 5 9 5 5 4 2 4 2 1 1 1 2 0 1 3 4 10 10 28 100 19 6 6 60 56 4 6 12 8 9 10 2 1 1 1 1 0 3 9 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 2 1 1 2 2 5 4 3 2 1 2 4 7 8 24 37 27 34 47 22 8 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 80 80 d 1H J 22 | 79 79 d 1H J 78 | 74 73 m 2H | 48 47 s 2H | 39 38 s 3H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccccc1OCOC
ir: 2 2 2 8 6 4 2 3 2 1 0 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 2 6 14 7 18 100 71 96 8 2 4 4 7 2 3 3 0 1 1 2 0 5 3 2 1 2 3 3 3 14 11 19 13 35 46 23 21 15 18 15 5 8 3 2 3 4 5 4 2 2 2 2 1 1 1 2 3 4 2 2 2 3 1 3 3 3 3 11 5 3 2 3 1 1 1 1 1 1 2 3 3 2 2 2 1 2 1 1 2 1 1 2 2 1 2 3 6 5 7 13 25 37 9 5 4 8 21 12 7 8 8 11 14 13 2 1 1 1 1 1 8 3 2 2 2 2 0 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 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 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 0 1 1 1 0 1 2 1 1 1 3 2 1 3 5 11 16 6 2 11 3 62 53 49 9 7 8 7 15 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 dd 1H J 16 64 | 73 72 td 1H J 13 78 | 71 71 ddd 1H J 12 64 76 | 70 69 m 2H | 57 56 dd 1H J 24 165 | 55 54 dd 1H J 24 110 | 49 49 s 2H | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N2CCC(C(O)c3ccccc3)CC2)nc1
ir: 35 15 13 8 22 21 15 27 23 21 16 13 8 22 12 8 39 27 15 4 7 4 3 5 8 7 2 9 5 7 13 25 15 7 11 22 18 8 9 8 35 24 7 4 5 7 3 6 4 3 7 11 11 71 14 25 8 2 3 7 5 2 4 8 6 6 8 10 23 13 5 7 11 9 5 9 4 12 21 22 52 12 20 11 5 25 61 42 53 23 92 13 6 9 4 5 7 7 3 3 5 15 11 8 4 6 9 22 4 5 4 7 8 8 5 7 9 15 13 7 4 4 6 4 10 10 34 5 4 8 5 5 5 7 9 25 10 10 7 9 59 40 16 6 9 7 7 5 2 5 4 8 34 8 25 14 100 32 9 2 3 3 3 12 2 3 2 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 5 3 3 6 2 4 4 4 5 4 2 7 9 12 14 14 18 25 11 7 7 4 2 4 41 30 2 3 2 2 1 2 2 2 2 50 8 2 1 2 2 1 1 5 4 2 63 99 4 5 8 1 2 3 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 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; 1HNMR: 81 80 d 1H J 19 | 74 73 m 1H | 73 73 s 5H | 69 68 dd 1H J 19 85 | 67 67 d 1H J 85 | 47 47 m 1H | 40 40 s 2H | 39 38 ddd 2H J 62 90 139 | 33 32 ddd 2H J 63 90 137 | 28 27 d 1H J 51 | 22 21 dp 1H J 57 77 | 21 20 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1c2[nH]c3ccccc3c2C[C@H](CO)N1C(=S)SC
ir: 2 6 6 9 2 3 3 3 2 3 10 2 1 9 2 3 4 18 2 6 3 2 2 2 3 3 5 3 5 16 3 3 3 6 8 5 3 3 3 2 3 10 11 5 3 4 3 3 2 3 6 2 2 9 3 2 2 3 8 5 2 3 2 2 3 3 2 3 3 3 15 4 6 11 2 2 3 3 2 6 5 3 3 3 9 4 2 3 5 13 30 44 10 7 3 3 8 8 0 31 4 6 8 17 2 5 18 7 4 7 7 13 8 5 5 13 4 4 5 3 4 4 3 3 5 4 4 4 5 23 6 5 3 3 4 5 3 3 5 3 3 2 3 3 4 3 3 3 3 2 2 2 2 12 7 8 3 2 3 3 3 6 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 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 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 3 3 3 3 4 3 2 2 2 3 2 2 3 3 2 2 3 3 2 3 3 3 4 3 5 3 2 6 4 5 8 25 6 4 14 29 10 3 1 3 15 100 47 11 5 4 3 3 2 3 3 2 3 2 3 3 3 4 4 7 24 70 5 4 3 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 s 1H | 75 75 m 1H | 73 73 m 1H | 72 71 m 2H | 55 55 tdd 1H J 15 37 62 | 45 44 dtdd 1H J 38 57 66 84 | 40 39 ddd 1H J 58 66 108 | 38 37 m 2H | 34 33 dd 1H J 57 148 | 29 28 dd 1H J 85 147 | 27 26 s 2H | 22 21 dqd 1H J 64 75 115 | 20 19 dqd 1H J 62 75 113 | 11 11 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Br)cc1S
ir: 3 3 3 3 4 4 4 10 3 3 3 4 3 4 4 6 4 6 6 4 6 7 24 63 7 4 4 3 6 5 4 4 3 3 4 5 4 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 8 21 6 11 6 4 3 4 4 3 3 3 5 23 8 4 3 3 3 5 4 3 4 3 4 41 16 5 3 3 3 4 4 3 6 3 4 4 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 11 3 3 3 3 3 4 23 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 3 19 13 3 3 3 3 4 3 5 10 5 3 3 3 3 3 3 3 3 5 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 6 25 21 7 5 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 35 7 4 3 4 4 5 3 0 91 100 8 4 3 3 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 78 78 d 1H J 79 | 75 75 d 1H J 21 | 74 73 dd 1H J 21 80 | 69 69 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc(-c2ccc(F)cc2)c1C#Cc1ccc(C(=O)NC2CCOCC2)cn1
ir: 2 4 6 19 9 6 4 2 8 9 13 4 8 9 7 4 2 3 8 13 17 24 10 7 5 2 3 2 5 3 3 3 2 3 4 7 5 6 48 74 17 12 13 11 11 23 3 3 3 5 4 3 9 8 72 30 50 9 7 3 2 2 4 4 4 3 2 2 4 16 8 3 5 3 3 4 12 2 4 2 4 2 1 2 4 3 3 10 3 4 8 3 4 4 1 2 1 1 2 2 2 4 1 3 5 5 5 10 7 13 9 10 2 16 2 4 4 4 5 2 2 9 9 4 20 3 3 9 4 3 12 7 24 4 1 13 100 3 2 14 16 5 7 49 17 3 28 18 6 7 28 24 9 12 51 13 4 2 2 1 2 57 10 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 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 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 3 1 4 4 3 1 8 5 5 6 11 16 12 54 53 10 7 9 2 1 5 3 2 1 2 1 2 2 2 3 4 2 2 1 5 6 19 57 15 5 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; 1HNMR: 89 88 d 1H J 19 | 81 81 dd 1H J 20 81 | 78 77 m 2H | 76 76 d 1H J 81 | 74 74 d 1H J 79 | 72 71 m 2H | 39 39 s 2H | 39 38 dp 1H J 50 77 | 37 37 ddd 2H J 30 57 117 | 35 35 ddd 2H J 31 59 117 | 20 19 dddd 2H J 31 50 59 140 | 18 17 dddd 2H J 31 50 59 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cl)c2nc(Nc3c(Cl)cc(Cl)cc3Cl)n(CCCO)c12
ir: 7 6 10 8 9 5 5 5 7 9 14 9 13 37 42 38 16 7 5 6 5 6 9 48 7 22 15 13 10 16 8 10 4 6 2 23 7 4 3 2 3 5 4 2 4 6 5 3 2 4 2 1 5 39 36 11 3 2 2 3 1 2 6 3 4 2 22 13 4 4 1 1 2 2 11 3 4 2 0 2 2 2 4 3 5 10 4 21 8 29 75 19 14 43 17 9 20 26 9 4 4 4 15 22 3 1 1 2 3 5 3 2 10 5 3 3 9 7 12 38 6 16 8 3 4 3 6 10 6 3 8 8 18 3 2 3 3 2 30 8 8 8 11 4 19 11 20 2 4 5 3 5 79 5 82 19 23 6 2 3 15 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 2 2 3 2 3 3 5 3 3 5 6 14 25 10 19 30 51 6 10 9 9 14 34 76 54 18 5 6 6 5 2 0 2 3 2 3 3 4 12 21 100 14 3 4 4 5 2 3 4 3 2 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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; 1HNMR: 78 78 d 1H J 90 | 76 76 s 1H | 75 75 d 1H J 92 | 74 74 s 2H | 43 42 t 2H J 71 | 39 39 s 3H | 36 35 m 3H | 20 19 tt 2H J 54 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1c(CO)nn2c(CC)ccc2c1-c1cncc(Br)c1
ir: 2 1 2 2 3 4 3 7 3 1 1 1 1 3 3 4 3 3 1 1 2 2 1 0 2 2 2 1 3 6 3 17 4 22 2 1 5 3 2 2 3 1 2 3 2 1 0 1 1 2 1 2 2 2 2 1 1 3 6 3 6 2 3 8 4 1 2 3 2 9 2 1 2 1 2 5 2 9 1 2 1 2 5 8 4 11 9 27 20 9 15 18 3 3 2 1 6 5 2 2 3 2 0 1 1 1 1 2 3 1 1 9 19 4 8 5 5 15 19 6 13 6 7 4 5 5 2 2 6 6 2 1 3 3 2 1 1 3 2 1 1 3 3 11 8 8 99 5 3 9 3 1 1 2 3 5 6 2 1 1 2 9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 2 2 2 2 1 4 8 13 5 8 2 21 9 13 3 1 1 15 100 7 7 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 17 | 87 86 t 1H J 17 | 80 80 t 1H J 16 | 63 62 d 1H J 64 | 62 61 dt 1H J 9 64 | 47 47 d 2H J 57 | 42 41 q 2H J 65 | 35 35 t 1H J 57 | 31 30 t 2H J 83 | 29 28 qd 2H J 8 64 | 28 27 t 2H J 83 | 13 12 q 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(NCCc3cccc(C(F)(F)F)c3)c(=O)c2=O)cc1
ir: 17 10 4 7 15 8 9 7 16 7 13 26 50 12 10 16 15 6 13 9 24 9 6 13 9 5 9 6 5 4 4 9 7 9 2 3 3 2 1 4 3 2 3 5 4 3 8 11 8 19 4 8 7 8 14 18 9 2 5 8 5 6 16 12 7 5 11 12 10 5 4 5 5 5 4 5 4 2 4 5 3 2 4 6 23 7 6 7 5 4 90 10 2 2 6 10 5 3 10 20 37 5 4 3 0 2 6 3 1 3 7 16 16 28 22 6 4 7 15 10 12 9 13 11 7 5 10 14 4 7 4 4 1 4 5 2 8 16 27 15 17 7 7 2 36 11 8 3 4 9 14 36 10 7 6 15 15 34 5 2 2 4 3 1 2 4 2 1 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 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 2 1 3 3 1 2 3 3 2 2 3 3 1 2 4 3 1 2 6 3 4 3 5 4 3 5 6 6 6 25 84 44 6 5 6 3 1 3 4 2 1 3 6 2 3 4 6 3 1 6 6 7 5 17 100 35 30 13 5 4 4 4 3 3 4 5 3 1 2 3 3 2 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 m 2H | 75 74 dd 1H J 71 111 | 74 74 ddt 2H J 18 33 63 | 72 72 dtd 1H J 8 20 70 | 70 70 m 2H | 64 64 t 1H J 44 | 38 38 s 2H | 36 36 td 2H J 45 56 | 29 28 tt 2H J 8 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(C2(C(N)CC(C)C)CCC2)cc1
ir: 3 4 2 3 6 3 2 2 4 3 3 4 4 4 3 4 3 2 3 4 4 3 3 3 1 2 2 3 4 3 3 1 2 3 2 4 5 2 1 1 1 1 2 3 2 4 4 2 3 4 3 1 4 7 35 24 14 55 30 13 10 29 29 19 6 2 19 16 8 24 17 25 5 18 14 9 9 13 7 8 2 11 15 25 7 4 4 4 4 5 5 6 6 4 3 4 1 4 8 11 7 14 5 4 3 2 8 5 2 4 4 6 2 5 4 3 2 5 15 10 9 14 17 7 5 5 10 5 4 13 13 11 76 72 6 15 5 8 9 4 1 4 6 10 15 8 4 5 3 17 16 5 4 6 4 2 1 2 2 1 1 2 4 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 3 2 4 2 3 6 6 7 5 3 6 7 14 6 26 20 23 7 2 1 2 3 2 1 3 3 6 6 8 11 19 21 9 6 7 7 15 100 80 13 10 2 4 3 0 1 2 2 0 0 2 2 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 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 m 2H | 69 68 m 2H | 47 47 s 2H | 43 42 q 2H J 66 | 35 34 m 1H | 24 23 dt 2H J 73 131 | 22 21 dt 2H J 73 131 | 19 16 m 6H | 15 15 ddd 1H J 57 71 145 | 13 12 m 4H | 10 9 d 3H J 66 | 9 8 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1
ir: 6 2 4 2 0 4 6 4 2 3 5 2 1 2 3 1 1 1 3 3 2 3 1 2 2 5 3 3 1 3 1 1 2 4 3 4 11 14 9 6 17 15 11 19 25 65 4 11 4 5 7 7 2 3 3 6 6 7 3 1 5 5 12 3 2 3 2 1 3 4 2 2 2 2 2 3 4 3 3 1 9 2 1 1 2 3 1 0 3 3 1 3 7 2 1 2 2 6 2 1 2 2 1 3 5 3 1 2 3 2 2 4 3 2 2 2 2 1 2 5 5 6 4 9 6 3 1 3 2 6 9 9 6 9 56 9 6 3 4 6 7 71 35 100 14 20 12 11 27 5 12 2 2 9 1 2 2 1 3 2 1 0 2 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 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 2 2 0 2 3 2 2 3 3 2 1 2 5 5 3 19 7 8 5 3 5 3 3 4 2 1 1 1 1 1 1 2 1 1 1 2 3 2 2 5 12 4 34 77 6 22 6 9 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 d 1H J 82 | 77 76 m 2H | 61 60 q 1H J 49 | 45 44 m 2H | 44 43 m 1H | 42 41 dd 1H J 40 132 | 38 38 m 1H | 37 36 m 1H | 30 29 pd 1H J 7 63 | 28 27 d 3H J 49 | 22 21 m 1H | 21 19 m 1H | 19 19 ddd 1H J 21 43 69 | 19 18 m 2H | 16 15 dd 1H J 56 144 | 9 8 m 1H | 9 9 s 10H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2CC(O)CCC2C[C@H]1CO
ir: 3 4 1 2 4 4 3 2 1 3 7 3 2 5 2 2 2 2 1 1 1 1 1 3 1 1 1 1 5 2 1 1 0 0 0 1 1 1 2 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 4 2 0 0 1 1 1 1 1 1 3 2 1 2 1 1 1 1 1 2 1 1 1 2 2 1 7 8 17 100 10 17 9 6 9 5 5 3 2 1 2 3 2 2 4 1 2 0 1 1 4 1 2 2 2 1 1 2 1 2 3 5 7 8 6 5 3 3 2 2 2 5 4 4 5 11 2 1 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 1 45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 2 2 3 2 2 1 3 2 4 3 6 9 3 1 2 1 1 1 1 5 3 5 37 21 6 4 2 0 0 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 40 39 dq 1H J 61 88 | 39 38 dt 1H J 60 110 | 38 37 m 2H | 36 36 dt 1H J 60 108 | 35 35 dd 1H J 40 114 | 34 34 t 1H J 59 | 31 30 d 1H J 48 | 24 23 qt 1H J 40 70 | 21 20 dp 1H J 58 73 | 20 18 m 2H | 18 16 m 3H | 17 16 m 1H | 15 14 m 2H | 15 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccccc1-c1ccc(C(=O)O)cc1
ir: 1 3 3 2 2 1 4 2 2 1 0 1 4 1 0 3 3 4 5 2 15 100 81 3 3 3 4 2 1 2 1 1 0 1 1 0 0 1 1 0 0 3 4 2 1 1 1 1 1 1 1 0 1 1 1 5 14 9 1 0 0 1 1 3 1 2 0 0 1 1 1 3 1 2 6 10 13 3 5 16 3 1 2 1 1 1 5 20 3 3 2 1 1 1 0 1 1 1 2 2 2 1 0 0 1 0 0 1 1 1 0 0 1 1 1 10 6 2 3 5 6 2 3 1 3 3 2 1 1 1 1 0 0 1 1 1 4 32 1 5 5 7 15 26 8 6 2 6 5 1 6 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 1 6 4 19 46 9 2 2 1 1 0 1 1 0 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 77 76 dd 1H J 12 75 | 76 76 m 2H | 74 73 m 2H | 73 73 m 1H | 38 38 d 2H J 8 | 37 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCn1c(C(F)(F)F)nc2cc(F)c(NC(=O)OCC)cc21
ir: 22 19 10 11 16 6 8 6 3 3 5 7 2 3 3 1 2 1 2 2 3 17 10 2 5 2 7 9 11 6 4 9 8 11 14 45 10 20 19 10 13 3 1 3 2 1 1 2 2 0 2 3 3 0 2 4 4 3 2 4 3 1 2 4 3 3 20 100 98 7 8 39 6 6 3 9 6 3 3 2 1 1 2 2 5 8 6 9 4 5 2 2 1 2 1 14 4 5 10 27 31 13 3 2 2 2 7 1 1 1 1 1 2 6 3 3 4 5 7 7 0 2 3 3 11 3 2 2 2 3 2 5 4 3 3 14 2 13 5 3 4 7 3 2 1 2 3 6 37 39 1 5 2 37 53 10 3 2 2 1 2 2 2 0 1 2 1 1 1 1 1 1 1 2 2 1 6 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 1 1 1 2 1 3 7 11 4 2 69 31 7 3 3 1 0 1 2 1 1 2 2 1 1 2 12 6 1 2 2 5 6 23 55 50 6 11 3 3 1 2 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 85 84 d 1H J 31 | 76 76 d 1H J 42 | 75 75 d 1H J 121 | 50 49 d 2H J 25 | 42 42 q 2H J 63 | 31 31 t 1H J 25 | 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.
COc1cccn2cc(C(=O)O)nc12
ir: 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 11 1 1 2 8 2 26 70 3 2 55 2 2 1 1 1 1 8 1 1 1 1 1 1 1 1 1 1 1 1 1 5 29 4 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 6 5 1 1 1 2 1 1 1 7 5 33 15 2 1 1 1 1 1 1 1 2 40 2 0 7 2 2 1 1 1 1 0 1 2 24 1 1 1 1 0 1 1 1 3 7 1 1 0 1 1 1 0 1 6 40 2 1 0 2 2 7 1 1 1 1 1 1 1 1 1 1 5 2 1 1 1 1 1 1 2 1 0 8 1 1 1 1 1 1 1 1 2 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 28 9 6 3 1 2 1 100 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 14 79 | 83 83 s 1H | 72 71 t 1H J 81 | 71 70 dd 1H J 15 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1cncc1CO
ir: 4 1 6 6 3 1 3 3 7 7 3 2 0 2 1 2 1 2 2 1 1 1 2 2 6 7 2 3 2 5 9 36 98 20 4 3 1 2 2 1 2 5 11 7 23 32 7 8 6 7 3 3 4 3 11 3 3 3 1 0 2 5 4 23 21 7 17 2 4 18 18 3 6 1 6 6 10 4 2 1 3 2 3 14 16 9 28 33 11 10 7 5 10 3 2 3 4 6 3 4 8 14 7 4 2 2 1 1 4 6 2 2 2 4 2 4 5 9 4 13 7 17 10 5 4 4 11 9 4 4 3 4 2 2 0 2 2 1 0 2 3 8 11 13 12 3 2 1 1 2 1 1 0 0 1 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 2 0 1 3 5 4 2 4 4 4 4 6 5 10 7 3 10 13 39 7 6 22 70 100 29 9 6 1 14 95 15 7 4 4 3 2 1 2 2 1 3 2 1 2 1 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 75 75 dt 1H J 9 16 | 72 72 dt 1H J 9 17 | 48 47 d 2H J 7 | 47 47 dd 2H J 9 60 | 39 38 t 1H J 60 | 38 37 s 3H
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)c2ccccc2)on1
ir: 1 1 2 1 0 1 0 0 1 1 0 1 3 1 0 1 1 0 1 2 4 28 8 2 1 1 1 1 0 1 2 0 3 4 1 0 0 1 1 0 1 7 1 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 0 0 1 1 2 2 0 2 8 2 2 4 0 1 1 3 8 11 3 4 3 2 1 1 0 0 2 0 1 6 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 0 0 0 1 1 2 1 1 2 4 12 2 1 0 1 2 1 0 0 0 0 0 2 2 1 1 0 0 0 0 3 0 1 0 0 0 1 3 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 1 0 0 0 0 0 0 0 0 0 0 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 2 1 2 2 1 1 0 0 0 0 0 1 1 1 2 3 9 7 2 2 1 2 1 1 23 100 15 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 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; 1HNMR: 74 73 m 5H | 70 70 d 1H J 7 | 58 58 d 1H J 57 | 39 39 d 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(=O)n1Cc1ccccc1
ir: 0 0 0 1 1 0 0 1 1 1 0 0 1 1 2 5 11 2 0 1 1 2 1 6 48 13 2 12 4 1 1 3 1 1 1 0 1 1 1 6 16 0 0 1 0 0 1 1 1 0 0 1 1 1 24 3 1 0 0 1 0 1 1 1 1 0 0 1 2 2 1 1 0 0 1 2 4 3 40 4 1 1 0 1 0 0 1 1 4 6 6 1 1 1 1 2 1 2 1 2 2 0 1 1 1 0 0 0 0 0 1 0 0 0 1 1 7 1 0 0 1 3 2 3 1 2 1 0 0 0 1 1 3 1 3 4 1 1 2 8 1 1 3 5 20 4 42 6 2 1 1 1 3 1 1 1 0 0 0 2 7 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 2 5 6 15 12 10 7 1 2 1 1 0 8 100 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 16 75 | 75 74 dd 1H J 75 90 | 73 72 m 6H | 65 64 dd 1H J 17 89 | 50 50 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(=O)[nH]c3nccc(Nc4ccc(F)cc4)c3c2cc1OC
ir: 1 2 2 2 3 3 15 10 2 3 8 10 8 4 6 6 4 5 4 2 3 4 18 20 15 3 3 3 8 19 14 17 11 12 49 42 7 4 2 1 1 4 4 2 2 3 2 1 2 2 1 2 13 22 9 15 8 6 4 1 2 2 5 4 2 3 5 5 23 10 2 2 5 5 6 5 2 3 1 3 5 2 1 2 1 1 2 2 2 2 1 1 2 8 2 1 4 2 1 1 1 2 4 2 20 14 1 1 3 2 5 26 10 4 5 4 4 2 2 2 2 1 1 2 4 2 3 3 2 6 2 1 5 10 7 2 2 4 1 1 2 12 11 2 3 3 8 5 27 13 6 4 5 4 4 4 3 1 4 38 33 61 16 29 43 4 2 1 10 16 4 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 2 1 0 1 1 1 0 1 2 1 5 3 7 12 16 28 5 8 3 3 2 2 1 1 2 2 0 1 1 2 1 1 1 2 4 6 12 32 100 68 25 10 6 4 2 2 1 1 1 2 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 44 | 76 76 s 1H | 75 75 s 1H | 73 72 m 6H | 70 70 d 1H J 44 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2cccc(C=O)c2)s1
ir: 4 5 4 4 7 5 2 7 8 5 3 3 3 3 2 3 3 3 4 3 4 5 6 9 8 5 5 7 25 20 9 17 15 8 11 3 4 3 4 5 6 5 4 8 21 24 42 15 12 17 4 4 3 4 3 4 5 5 5 7 6 3 4 3 5 5 6 10 15 20 6 10 11 6 5 5 3 4 4 10 10 7 5 3 3 2 3 4 18 11 6 5 3 10 4 11 25 13 11 10 4 4 4 5 10 9 3 4 100 14 5 4 2 3 4 3 4 5 5 5 7 3 4 3 4 10 27 9 14 29 5 6 5 3 2 4 3 2 2 4 6 0 73 5 3 5 5 3 3 4 5 7 3 3 3 2 3 3 4 4 5 4 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 4 2 3 4 3 2 3 6 8 2 7 7 8 12 62 77 63 37 15 2 4 6 4 3 4 4 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 100 100 s 1H | 82 82 t 1H J 22 | 79 79 ddd 1H J 11 20 79 | 79 78 m 1H | 77 76 t 1H J 79 | 74 74 d 1H J 9 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C=Cc2ccccc2O1
ir: 0 2 1 0 1 2 1 4 0 0 1 2 1 0 1 0 0 0 9 8 0 1 1 0 1 1 0 0 0 1 1 1 1 9 8 0 0 1 1 6 5 0 24 100 4 2 4 1 1 1 1 0 1 1 1 0 0 1 1 2 3 2 2 3 1 1 1 1 6 2 2 0 1 2 4 1 1 1 0 0 1 1 1 7 3 1 0 0 1 1 3 2 6 3 2 17 2 1 0 3 15 7 1 0 1 1 1 2 1 1 0 0 1 0 7 2 1 1 5 2 3 1 1 1 4 3 1 14 14 1 1 1 1 2 6 10 4 2 1 1 1 5 26 23 3 1 1 24 8 2 0 3 3 10 26 2 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 1 1 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 0 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 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 1 1 1 0 0 1 1 0 1 1 4 5 1 1 1 0 1 1 1 0 2 2 6 14 5 16 27 76 91 11 2 3 1 2 2 0 1 1 1 1 1 1 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 1H | 72 72 td 1H J 13 74 | 71 70 td 1H J 12 76 | 68 68 dd 1H J 12 72 | 63 63 d 1H J 92 | 57 56 ddq 1H J 11 20 92 | 15 14 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)[nH]c(=O)n1CC2
ir: 8 5 2 13 10 6 6 5 6 4 4 5 5 3 4 4 5 7 5 12 7 3 4 4 6 4 5 5 5 3 3 4 4 2 3 6 7 5 3 5 5 4 7 14 6 10 17 12 19 69 66 13 6 2 6 9 4 1 4 8 9 7 6 7 11 9 12 18 19 6 10 13 29 40 8 8 4 2 4 4 3 2 3 5 13 4 6 4 3 5 12 11 7 5 4 5 2 5 8 4 2 3 4 3 2 4 6 7 2 4 5 4 2 5 9 9 8 6 6 6 6 7 10 5 10 6 5 5 5 7 9 5 3 5 9 5 3 9 4 4 12 6 5 3 6 23 10 6 4 11 35 5 5 10 63 25 17 6 97 8 7 12 5 43 100 15 22 18 25 11 5 0 3 6 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 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 4 2 2 3 3 2 2 4 3 2 3 4 4 2 4 5 4 2 4 5 5 3 5 6 5 3 8 13 11 8 32 94 20 23 14 8 6 12 5 5 4 2 4 4 3 3 4 5 3 3 5 5 5 8 13 50 40 26 4 6 2 2 4 4 5 2 4 4 3 3 5 3 2 3 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 1; 1HNMR: 95 94 s 1H | 70 70 d 3H J 66 | 66 66 t 1H J 9 | 63 62 s 1H | 41 40 m 2H | 39 38 d 6H J 57 | 30 29 m 2H | 23 23 d 9H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccccc2)S1(=O)=O
ir: 4 5 6 4 1 5 10 5 5 5 9 77 11 11 9 7 4 6 5 4 5 8 8 15 7 8 9 13 8 9 75 15 36 11 8 4 7 9 22 21 27 88 27 22 30 36 23 24 14 7 11 14 15 13 17 29 11 8 7 0 8 45 10 35 14 8 8 7 11 18 8 2 9 12 16 36 5 6 16 21 67 18 7 8 31 31 6 22 16 11 24 12 8 6 3 9 20 7 11 9 20 7 4 4 5 7 4 5 9 19 22 41 12 15 1 8 10 15 26 33 32 19 34 28 9 13 5 5 9 10 10 38 10 4 26 25 10 1 1 23 5 4 15 33 65 16 37 14 37 12 9 31 12 5 5 8 7 2 3 5 5 7 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 2 5 4 2 3 5 3 1 3 5 3 1 3 5 4 2 3 6 3 2 3 5 3 1 3 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 4 4 2 4 6 5 2 4 6 10 7 6 8 6 6 5 7 7 9 43 31 21 100 14 8 7 3 6 5 5 2 4 6 3 2 4 5 4 3 7 6 3 6 11 31 15 39 86 13 15 26 11 17 6 4 5 4 3 3 5 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5; 1HNMR: 77 76 m 2H | 76 75 m 2H | 75 74 m 2H | 39 39 t 2H J 73 | 37 37 m 4H | 32 32 td 2H J 53 62 | 28 27 m 4H | 26 25 m 2H | 19 18 p 2H J 61 | 18 17 ddd 2H J 66 73 140 | 14 13 dt 2H J 72 142 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2ccc(C(=O)OC)cc2[nH]1
ir: 16 13 16 23 99 100 17 10 7 5 4 6 5 6 8 9 6 5 7 8 9 8 7 7 16 9 6 10 48 33 16 19 9 5 5 4 4 4 3 4 4 3 4 5 7 5 12 10 7 5 6 4 7 11 26 24 31 0 5 7 4 3 5 27 12 32 19 14 12 4 5 5 4 3 4 10 5 4 4 7 5 4 4 4 3 3 4 4 4 5 4 4 4 4 5 6 63 75 13 8 6 7 32 47 8 7 6 4 2 4 7 6 6 53 25 9 29 22 8 9 7 8 11 20 23 7 4 7 9 5 6 4 5 4 4 4 4 5 5 8 10 6 9 20 39 12 8 25 19 38 17 4 4 5 6 9 5 6 77 3 4 6 4 4 6 6 4 2 3 5 4 2 5 6 4 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 3 3 4 3 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 5 5 4 5 5 6 4 8 13 25 18 38 50 38 47 15 18 5 2 4 5 4 3 5 5 4 3 4 4 4 3 6 7 4 6 6 9 14 62 65 22 11 7 7 7 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 81 81 s 1H | 79 78 m 3H | 65 64 dd 1H J 10 19 | 39 39 s 3H | 27 26 qd 2H J 9 61 | 13 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(OC2CCCC2)c(O)c1Br
ir: 1 1 1 1 1 0 1 1 0 0 0 1 1 3 2 1 0 1 1 1 1 1 2 1 1 1 0 1 1 1 1 1 0 2 3 1 1 2 1 1 0 1 0 1 1 0 0 0 1 0 2 1 1 1 16 6 0 0 0 1 0 0 1 1 0 0 0 1 1 1 0 0 0 1 1 1 1 0 1 1 1 1 0 1 1 4 18 3 1 4 5 2 1 1 1 1 4 5 1 0 0 0 1 5 5 1 1 1 2 3 10 6 3 3 1 1 1 1 1 1 1 1 0 1 0 0 1 4 1 0 1 0 0 0 0 1 1 2 11 1 1 0 0 0 0 0 2 1 0 0 0 1 0 1 0 5 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 0 0 0 1 1 2 2 2 3 7 3 2 0 0 1 1 6 100 5 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 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; 1HNMR: 75 75 d 1H J 93 | 69 69 d 1H J 91 | 58 58 s 1H | 48 47 p 1H J 37 | 20 19 dddd 1H J 15 25 38 77 | 19 19 m 2H | 19 18 m 3H | 17 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc2cc(Br)cc(C)c2n1
ir: 3 4 3 2 3 2 1 6 2 2 12 3 4 3 2 2 2 4 3 2 2 2 2 2 2 2 2 3 2 2 2 31 4 6 2 2 2 2 2 2 5 3 4 2 2 2 3 4 3 3 2 2 2 2 2 2 4 2 2 2 5 8 7 6 4 17 17 9 9 14 13 20 5 5 4 6 2 1 2 2 2 2 2 2 2 2 3 6 5 2 2 3 2 2 3 5 12 1 3 2 2 3 3 9 25 38 6 3 2 5 15 4 3 9 16 12 8 7 5 7 24 8 3 3 1 3 7 8 5 8 3 3 2 2 2 2 2 2 2 2 4 8 15 2 2 2 2 1 2 3 3 1 1 2 2 2 1 3 2 0 3 100 3 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 3 4 7 3 2 2 3 9 9 4 7 3 3 9 12 20 5 23 69 26 20 41 13 6 5 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2; 1HNMR: 80 79 t 1H J 19 | 76 76 dt 1H J 9 17 | 74 74 d 1H J 21 | 40 39 qd 2H J 9 49 | 25 25 s 3H | 15 14 t 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc2cnccc2c(Cl)c1OC1CCNCC1
ir: 3 2 1 2 3 6 12 10 3 4 2 4 2 2 10 6 9 9 3 13 63 11 12 22 15 33 11 2 13 20 23 43 18 7 9 23 22 12 9 9 10 6 5 5 8 3 9 3 14 22 13 10 7 8 16 14 54 17 4 8 5 4 6 7 11 6 7 5 33 24 12 12 29 63 73 12 11 6 6 2 2 1 2 24 1 1 1 2 1 1 4 4 4 15 9 2 2 1 2 5 4 2 1 2 3 10 10 5 10 16 15 8 27 22 22 42 37 26 27 15 11 34 22 19 10 13 27 24 74 45 22 12 13 8 3 5 3 2 2 1 1 2 2 3 1 6 23 17 10 18 9 1 2 18 0 1 4 8 3 6 2 1 1 0 1 1 8 33 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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 1 1 1 1 1 2 2 2 7 4 6 3 3 4 2 2 5 17 14 22 8 71 35 9 6 7 1 1 5 3 2 2 3 5 7 7 8 5 24 18 71 100 15 19 9 6 2 2 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 90 89 t 1H J 18 | 87 86 dd 1H J 15 48 | 78 77 d 1H J 45 | 77 77 d 1H J 16 | 45 45 m 2H | 32 31 dddd 2H J 29 39 55 134 | 30 29 dddd 2H J 29 38 57 134 | 22 21 dddd 2H J 29 49 57 137 | 20 19 dddd 2H J 30 49 57 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Cc1ccccc1)CC(N)CO
ir: 5 5 9 4 1 4 9 2 2 8 14 3 5 2 4 2 2 1 2 2 1 2 2 1 2 1 1 2 2 2 5 38 20 4 2 1 4 4 26 36 5 16 16 3 1 4 7 6 2 6 5 2 4 11 70 45 33 32 9 6 4 10 15 4 14 11 8 5 12 10 11 21 9 14 12 18 39 25 13 9 8 11 10 38 19 7 7 8 25 26 64 53 14 4 4 5 4 2 7 7 1 2 2 2 1 2 3 3 2 1 2 2 2 1 1 3 4 3 0 3 7 11 6 9 9 10 28 37 11 6 6 17 18 33 37 40 9 12 7 4 2 4 15 14 9 7 4 3 1 2 1 5 5 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 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 4 3 2 1 4 9 9 3 3 6 5 4 6 14 28 20 34 39 16 21 8 2 4 5 22 100 16 14 5 3 12 33 47 21 30 8 9 6 7 47 47 10 7 3 2 3 3 4 2 1 2 3 1 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 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 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: 74 73 m 2H | 73 72 ddt 1H J 13 66 79 | 72 71 ddt 2H J 10 15 64 | 37 36 ddd 1H J 32 48 124 | 34 33 ddd 1H J 32 47 124 | 31 30 m 2H | 30 30 s 2H | 27 26 dt 1H J 8 130 | 26 25 m 2H | 16 16 m 1H | 14 13 m 1H | 10 10 s 3H | 9 9 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOc1ccc(-c2ccccc2)cc1
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 2 1 2 1 1 0 2 1 0 6 30 6 5 2 0 1 2 1 1 1 1 1 2 8 17 9 1 1 2 1 0 1 1 1 1 3 4 4 3 10 5 2 1 1 1 1 1 3 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 5 2 3 2 1 1 1 2 1 2 3 3 6 2 1 1 1 1 1 2 1 1 1 1 1 1 1 3 9 2 1 1 1 3 25 26 6 2 6 3 2 10 4 2 7 4 2 2 1 1 1 2 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 3 2 2 2 1 2 1 2 2 3 5 10 9 31 100 55 5 6 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 m 4H | 75 74 m 2H | 74 73 m 1H | 70 70 m 2H | 40 40 t 2H J 63 | 18 17 tt 2H J 63 75 | 15 14 dq 2H J 69 79 | 14 12 m 8H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCC1NC(=O)NC1=O
ir: 7 7 7 9 8 16 38 8 9 7 7 8 9 8 6 6 7 6 6 8 12 12 85 24 16 11 7 7 8 7 7 12 7 7 6 7 7 6 7 7 9 11 21 63 31 31 73 9 9 11 9 6 7 8 7 5 8 10 21 15 6 7 6 6 6 6 6 6 6 7 6 6 6 6 6 8 8 10 12 20 12 11 7 6 7 7 6 6 7 7 6 6 7 8 6 6 7 7 8 7 8 7 6 6 7 6 5 7 8 7 9 30 8 7 8 8 8 14 16 20 17 19 9 11 7 7 6 7 7 7 10 13 9 9 7 7 7 6 6 7 8 7 8 41 10 11 8 6 6 7 7 19 11 6 6 6 6 6 6 7 8 14 76 100 22 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 7 7 8 7 6 7 8 6 8 8 8 11 10 9 7 5 6 8 6 5 7 10 6 0 91 25 8 9 6 5 7 8 6 6 7 7 7 9 25 61 39 13 12 10 10 6 7 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 92 92 s 1H | 84 83 d 1H J 64 | 44 43 dt 1H J 48 66 | 24 22 dt 1H J 90 163 | 22 21 dt 1H J 92 165 | 20 19 dtd 1H J 48 91 148 | 18 17 dtd 1H J 48 90 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CC(F)(F)C(F)F)CC(F)(F)C(F)F
ir: 7 12 11 44 50 10 4 6 9 6 5 6 7 6 5 7 10 18 30 19 33 8 29 22 9 6 6 7 6 5 5 7 6 5 6 10 7 8 17 34 11 9 6 9 7 5 7 9 8 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 11 67 100 37 10 7 7 8 10 13 21 10 7 5 7 8 6 5 7 8 6 9 9 9 10 7 7 8 6 6 9 9 12 19 23 22 45 10 8 6 5 7 7 7 6 7 7 7 6 8 8 7 7 12 25 19 14 37 21 7 4 7 8 6 5 7 8 7 6 7 10 8 20 26 32 13 8 7 8 6 6 7 7 5 5 7 6 5 6 7 6 5 5 7 6 5 6 7 6 5 6 7 6 5 6 6 6 5 6 6 6 6 6 2 46 0 8 9 6 4 6 7 5 5 6 7 5 5 6 7 5 5 6 7 5 5 6 6 5 5 7 6 5 5 7 6 5 5 7 6 5 5 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 6 6 5 6 6 5 5 6 7 5 5 7 6 5 5 6 7 5 6 7 7 6 6 8 7 8 17 23 16 6 16 12 14 11 42 21 12 8 8 7 7 5 7 8 6 5 6 7 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5; 1HNMR: 59 59 t 0H J 70 | 58 57 t 1H J 70 | 57 56 t 0H J 70 | 28 27 tt 4H J 31 119
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(=O)/C(=C\c2cc(Cl)ccc2OCS(C)(=O)=O)c2ccc(Cl)cc21
ir: 4 6 2 3 3 6 5 5 3 3 4 8 3 4 3 2 3 4 2 2 2 3 2 2 2 2 4 2 3 2 2 6 4 2 4 3 3 6 3 3 9 2 46 6 3 3 3 3 3 13 3 3 4 18 16 11 4 5 3 2 2 3 3 4 6 4 11 25 6 10 6 3 3 2 2 2 2 2 2 2 2 3 2 2 5 6 12 51 6 4 4 2 4 4 3 2 3 3 3 3 2 5 16 16 11 3 2 11 4 3 3 2 3 2 2 4 3 3 3 7 7 9 10 4 6 3 3 8 7 9 3 6 4 2 0 6 100 5 4 2 2 6 6 3 8 3 3 2 6 4 5 4 7 7 23 11 5 4 4 8 3 3 11 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 6 3 3 2 2 2 5 3 2 3 3 4 6 25 12 19 21 32 19 11 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 80 d 1H J 76 | 78 78 d 1H J 22 | 77 77 d 1H J 22 | 76 75 s 1H | 73 73 dd 1H J 21 76 | 73 72 dd 1H J 21 85 | 70 70 d 1H J 86 | 50 49 s 2H | 31 31 s 3H | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1ccc(C(O)CC(C)(C)C)cc1
ir: 7 5 7 3 9 9 4 7 11 7 1 5 6 3 2 7 4 5 18 15 25 10 2 5 5 2 1 3 3 2 1 3 2 1 1 3 3 2 3 10 4 3 6 12 3 5 3 4 6 3 3 4 6 9 72 21 20 9 6 9 8 12 21 14 18 7 5 6 5 16 7 9 12 12 12 13 63 18 15 26 5 6 9 14 62 100 14 31 45 72 37 11 15 27 8 4 6 4 5 2 1 3 3 2 1 2 4 2 2 4 5 4 8 14 9 5 5 16 25 26 12 26 8 10 4 6 2 19 40 14 11 6 3 5 3 3 6 5 6 1 1 2 2 1 1 3 2 3 47 6 2 2 3 6 2 1 2 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 6 9 9 2 2 2 3 3 3 2 5 4 8 16 29 34 10 42 99 28 4 4 6 5 5 8 78 10 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 75 74 m 2H | 73 72 m 2H | 55 55 d 1H J 9 | 49 48 m 1H | 37 36 dq 2H J 61 113 | 36 35 dq 2H J 60 113 | 25 25 d 1H J 48 | 19 18 dd 1H J 64 137 | 16 16 dd 1H J 64 139 | 13 12 t 7H J 61 | 9 9 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.