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N#Cc1nc(C(=O)NCC(=O)O)c(O)c2cc(Cc3ccccc3)c(=O)n(Cc3ccccc3)c12
ir: 1 2 2 4 2 4 6 7 2 17 11 9 22 11 11 12 6 22 13 28 44 57 11 47 46 6 8 9 3 7 11 15 17 24 26 6 4 3 4 34 100 26 7 4 3 6 10 14 11 7 5 6 2 2 2 1 1 2 1 3 1 1 1 2 1 2 2 2 7 3 1 5 5 2 3 3 7 11 15 26 19 17 5 5 6 15 8 9 14 21 16 7 2 1 2 6 5 5 9 5 6 4 13 4 29 2 4 3 4 4 3 8 7 17 11 17 4 3 5 7 6 11 28 11 17 3 9 9 5 5 3 3 4 7 13 16 7 11 9 11 18 32 14 41 20 13 21 41 12 24 8 6 6 0 1 3 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 4 3 1 1 2 2 3 7 7 9 13 41 14 10 9 5 10 46 9 11 31 72 18 7 2 2 2 2 3 3 4 5 4 3 5 11 6 9 8 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: 84 84 t 1H J 70 | 81 80 t 1H J 15 | 73 72 m 11H | 55 54 t 2H J 8 | 41 40 d 2H J 70 | 38 38 dt 2H J 9 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCO[C@@H](CO)[C@@H](c2ccc(Cl)c(Cl)c2)C1
ir: 1 3 6 6 7 3 4 3 0 5 16 16 6 11 1 4 1 4 3 4 12 6 6 3 5 4 3 1 2 2 2 2 2 3 5 1 2 2 4 11 1 2 2 1 1 2 1 0 1 3 3 5 4 23 7 1 2 3 2 3 2 2 3 5 2 3 2 4 4 5 5 4 3 2 1 5 4 5 1 7 30 8 2 0 7 10 27 54 10 3 8 5 6 5 3 5 3 5 2 3 3 2 2 1 2 1 3 2 3 1 1 3 3 4 4 4 6 3 10 7 8 9 14 7 8 11 5 11 14 11 5 10 6 2 2 2 3 7 1 2 3 1 1 2 2 0 1 4 17 5 4 100 4 12 2 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 2 1 2 3 4 4 23 19 4 6 11 29 6 3 1 1 2 1 9 6 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 m 2H | 72 72 m 1H | 41 40 dd 1H J 65 122 | 40 38 m 7H | 37 36 m 3H | 34 33 m 1H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCOS(C)(=O)=O)c(Cl)cc1C#N
ir: 18 26 14 13 27 14 32 23 7 5 9 8 3 8 7 5 1 4 6 2 1 4 4 1 1 3 3 1 1 3 4 5 1 8 8 10 3 7 6 14 11 12 5 4 4 9 6 6 9 7 9 1 3 5 3 0 4 9 11 0 6 7 5 2 4 16 10 16 42 24 21 18 33 77 25 7 7 10 5 4 4 4 5 3 4 17 32 77 69 80 38 11 8 20 8 7 7 5 2 5 12 24 22 29 13 6 3 3 6 3 3 3 5 3 1 3 6 5 2 7 12 14 10 9 12 5 1 4 5 2 1 4 4 3 1 3 5 2 6 19 12 3 2 4 4 2 10 4 4 1 2 9 64 8 2 4 3 1 2 4 4 4 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 6 4 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 3 4 4 6 6 16 15 5 4 4 4 4 5 5 3 3 4 11 23 67 45 29 23 100 14 8 5 1 2 4 2 1 2 3 2 1 3 3 2 2 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 s 1H | 68 68 t 1H J 9 | 43 42 t 2H J 68 | 39 39 s 3H | 31 30 td 2H J 9 68 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cn(-c3cccc4c(Cl)nccc34)cn2)cn1
ir: 1 2 3 2 2 3 2 4 7 11 13 8 11 9 10 9 15 2 3 1 2 2 1 1 1 1 1 1 2 6 4 2 2 4 17 0 53 9 1 2 2 1 9 9 3 2 4 15 26 100 10 6 21 15 1 3 7 2 2 3 3 22 1 4 3 0 4 11 5 3 6 22 6 3 8 0 2 5 3 2 4 3 8 3 2 1 2 4 6 3 5 3 2 21 28 17 9 2 2 4 9 2 4 4 4 4 5 34 34 4 3 3 5 4 2 2 2 4 2 6 6 8 9 8 2 2 15 5 14 14 5 3 3 2 2 9 7 2 2 18 3 5 6 3 2 3 14 4 2 2 4 3 9 18 31 3 2 2 2 2 2 2 2 1 3 3 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 2 2 2 2 2 7 5 8 13 38 18 62 34 49 18 9 9 2 3 2 2 2 14 4 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; 1HNMR: 85 84 d 1H J 17 | 84 84 d 1H J 42 | 84 84 d 1H J 17 | 81 80 dd 1H J 20 72 | 80 80 s 1H | 78 78 d 1H J 41 | 76 76 d 1H J 40 | 76 76 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncccc1-c1cc(C=O)c(OC)c(C(C)(C)C)c1
ir: 9 5 4 5 7 3 3 5 8 7 9 4 5 3 2 4 10 9 3 5 6 3 3 9 22 5 3 8 5 2 3 6 13 5 4 9 7 66 31 100 34 4 6 11 12 2 3 7 5 1 3 6 3 0 5 8 6 3 4 5 8 3 23 36 32 6 7 11 6 4 7 8 5 3 4 8 4 7 5 5 3 2 5 5 4 4 31 9 4 6 6 4 2 2 5 5 4 15 10 8 1 6 7 4 3 6 12 22 8 11 19 6 2 3 6 6 4 8 8 4 7 7 14 15 10 11 16 9 14 9 13 14 65 16 7 5 6 34 16 4 5 6 5 3 4 55 11 3 2 6 4 2 4 13 49 26 8 6 6 15 9 6 4 2 9 7 4 3 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 3 10 10 4 2 3 5 4 2 3 6 4 4 8 20 12 15 11 36 27 21 7 5 4 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 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 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1; 1HNMR: 81 81 dd 1H J 22 42 | 81 80 d 1H J 22 | 79 78 dd 1H J 22 77 | 76 76 d 1H J 22 | 71 70 dd 1H J 42 77 | 40 40 s 3H | 39 39 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccccc1)CS(=O)(=O)c1ccc(OC)cc1
ir: 7 5 1 6 12 10 4 15 10 9 15 10 7 7 12 7 6 3 1 5 6 2 3 3 3 1 1 4 3 2 5 18 8 9 3 6 5 2 4 9 20 15 2 5 6 2 5 5 3 0 2 6 4 7 80 11 3 4 4 5 4 2 3 8 11 20 5 4 12 6 5 5 4 2 5 5 5 2 8 4 2 5 10 41 100 2 6 4 7 9 6 5 2 3 5 4 2 8 12 8 7 15 12 7 5 11 7 4 2 4 5 7 4 5 6 12 7 4 5 7 0 5 7 4 9 11 10 11 5 10 6 3 4 4 6 13 4 4 3 2 2 5 10 11 17 6 43 22 7 7 4 3 6 4 2 1 2 3 2 1 2 10 2 0 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 2 4 3 2 3 6 8 2 4 5 4 3 5 8 19 15 17 53 31 6 5 7 2 1 3 3 2 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0; 1HNMR: 78 78 m 2H | 73 72 m 5H | 71 71 m 2H | 42 41 m 2H | 38 38 s 2H | 36 35 m 1H | 33 32 m 2H | 32 31 ddd 1H J 28 66 130 | 29 28 m 1H | 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.
CC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@H](CCCCCO)CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
ir: 2 2 2 2 8 3 6 2 6 2 1 4 4 21 2 4 4 3 2 9 4 11 3 1 4 6 4 5 7 1 0 1 1 0 1 9 3 1 3 8 4 5 8 4 1 1 1 2 4 3 2 6 4 2 2 3 2 2 5 3 15 3 7 7 4 15 9 8 5 3 8 7 15 4 6 19 16 33 6 18 4 3 9 12 13 12 73 51 74 66 48 13 19 33 11 11 6 4 4 11 25 10 17 20 20 10 17 17 10 15 11 11 1 7 17 13 6 17 22 19 6 27 9 18 20 12 34 14 3 11 3 2 2 3 4 4 2 3 5 21 12 15 1 6 40 3 1 1 2 1 1 1 1 1 1 1 1 0 1 2 77 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 2 3 2 3 2 6 8 8 9 10 8 11 9 9 19 23 10 35 86 27 54 11 12 5 5 5 6 10 38 100 18 8 5 4 2 2 3 2 1 2 1 2 2 2 2 3 1 1 1 1 1 1 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 58 58 dp 1H J 9 18 | 47 46 dddd 1H J 9 18 33 52 | 36 35 q 2H J 58 | 27 27 t 1H J 59 | 25 24 m 1H | 24 22 m 3H | 20 12 m 26H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O)c2c(c(C)c1NC(=O)CC(C)(C)C)[C@@H](c1ccc(C(C)C)cc1)CO2
ir: 6 4 14 8 19 13 41 12 0 5 7 3 0 3 5 3 1 5 6 3 2 5 8 7 20 7 10 9 17 6 5 7 5 4 3 3 2 4 4 7 4 6 9 7 5 7 8 3 5 4 5 5 9 7 15 10 6 4 2 2 4 4 9 2 2 4 3 2 5 7 5 3 13 6 4 3 3 4 2 7 8 11 3 2 3 3 2 4 6 24 11 27 15 9 15 3 5 3 3 2 5 3 2 2 3 3 4 4 10 4 2 9 3 4 2 4 7 6 5 6 9 4 5 4 8 7 3 5 6 7 12 5 3 3 2 4 4 2 2 2 2 2 3 4 10 28 38 24 20 6 4 4 3 2 3 4 6 3 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 2 1 2 2 2 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 3 2 1 2 2 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 3 3 4 2 2 3 4 4 4 3 3 3 8 7 12 18 9 20 33 17 4 4 3 3 3 3 100 15 3 3 2 2 2 2 2 2 2 3 3 4 4 31 24 6 5 2 2 2 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 89 89 s 1H | 74 73 s 1H | 72 71 m 4H | 46 45 m 1H | 45 44 dd 1H J 27 110 | 43 42 dd 1H J 45 109 | 29 28 m 1H | 25 24 s 2H | 24 24 s 3H | 20 20 s 3H | 13 12 d 7H J 66 | 10 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1Nc1n[nH]c2c1Cc1sccc1-2
ir: 1 1 2 2 1 8 5 3 3 3 7 7 3 3 4 2 2 2 2 2 4 5 3 5 8 6 3 17 42 44 5 3 4 2 2 10 5 4 4 3 6 19 68 100 56 21 9 10 16 9 5 2 4 2 2 1 2 2 2 7 2 2 3 8 4 3 2 2 4 3 4 6 4 7 9 7 2 4 2 1 2 2 2 2 2 3 7 3 3 4 2 1 3 4 1 3 3 5 0 18 15 1 5 2 0 5 13 6 3 6 17 4 1 2 3 1 1 2 3 3 6 9 3 2 3 5 5 3 2 3 4 4 35 35 4 9 7 9 6 3 2 2 16 3 3 2 4 13 15 35 12 5 3 4 12 2 9 12 3 6 3 16 7 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 3 2 5 4 6 18 25 26 15 8 3 3 2 3 2 1 1 2 2 2 2 3 2 1 2 5 5 2 15 27 40 64 24 7 14 6 2 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 s 1H | 76 76 dd 1H J 14 78 | 75 75 d 1H J 57 | 72 71 m 2H | 71 70 td 1H J 13 80 | 70 69 dd 1H J 13 82 | 39 39 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc(C(N)=O)[nH]c(=O)c12
ir: 2 2 1 2 2 3 9 2 2 10 5 5 5 9 4 5 10 4 2 6 3 6 10 3 5 2 2 1 2 5 2 2 2 2 2 2 2 4 12 47 12 8 6 4 18 0 30 6 2 3 2 5 53 13 13 41 6 1 3 3 2 2 2 3 12 11 37 20 5 3 6 3 2 2 18 2 3 4 2 2 2 2 12 21 3 28 8 11 2 3 7 4 1 4 1 2 4 3 2 1 1 1 3 3 2 11 11 6 2 3 5 3 2 12 3 4 6 2 6 10 6 3 2 5 9 4 4 3 3 5 1 1 1 1 1 1 2 2 5 5 3 24 13 2 2 4 1 2 9 14 15 8 23 4 2 3 3 1 100 13 4 14 6 0 2 8 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 2 1 2 2 2 1 12 9 9 10 9 71 10 8 4 2 2 1 1 2 2 1 1 2 1 1 1 1 2 4 2 2 2 4 7 7 36 7 23 5 3 6 38 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 22 | 80 79 s 1H | 79 78 dd 1H J 22 92 | 73 72 d 1H J 91 | 72 71 m 1H | 70 69 m 3H | 68 68 s 2H | 32 31 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CNC2=NCCN2)cc1
ir: 10 6 4 9 8 3 5 3 3 4 4 6 9 3 7 9 8 8 8 16 13 18 9 9 8 11 6 20 16 11 14 11 11 12 26 10 18 7 6 7 11 7 6 8 10 0 33 1 8 7 5 9 8 43 22 3 6 3 4 3 4 7 2 4 3 8 6 8 3 8 4 3 3 4 5 3 3 2 1 2 2 2 2 2 1 2 6 6 3 2 7 4 1 2 3 3 7 12 3 2 6 2 3 7 6 5 4 2 4 7 3 2 6 3 12 6 6 12 5 6 2 3 4 2 3 6 4 2 1 3 3 7 9 15 35 100 30 9 10 15 5 4 2 11 26 37 4 15 26 18 43 39 28 17 26 10 12 13 4 9 10 8 8 9 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 2 2 3 6 5 17 36 32 12 6 4 2 2 2 2 2 2 2 2 1 3 2 4 2 3 5 5 9 10 25 40 50 84 58 21 9 5 4 2 2 2 2 2 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 1 1 1 1 1; 1HNMR: 97 96 s 1H | 91 91 d 1H J 79 | 88 88 dd 1H J 14 80 | 86 86 d 1H J 19 | 80 79 m 2H | 78 78 dd 1H J 15 82 | 77 76 m 2H | 75 74 dt 2H J 9 83 | 72 72 td 1H J 14 80 | 63 63 t 1H J 52 | 46 45 dt 2H J 9 52 | 42 41 t 1H J 38 | 37 37 m 2H | 36 36 q 2H J 39
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Cl)ccc1-c1cnnn1C(F)(F)F
ir: 10 7 2 5 10 8 4 7 14 3 1 9 8 3 3 15 16 7 11 20 12 5 3 6 5 1 1 5 5 1 1 5 5 1 2 6 5 0 6 16 8 2 2 5 4 0 2 6 4 1 4 7 8 26 34 27 12 6 4 8 3 1 3 6 3 1 14 39 21 0 7 13 5 3 4 6 2 1 5 6 2 1 5 7 12 7 11 20 96 6 6 5 3 3 6 9 63 75 43 33 4 3 11 50 13 3 6 4 12 17 6 3 0 3 6 6 4 3 7 5 6 10 11 7 10 13 6 2 1 4 5 2 14 12 5 3 4 8 5 2 2 5 7 6 7 5 5 2 20 9 7 17 17 7 14 6 4 7 4 1 2 5 11 1 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 0 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 5 5 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 4 1 2 5 3 1 3 5 3 1 3 5 4 2 4 12 8 8 17 55 100 23 11 10 5 2 5 7 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 81 81 d 1H J 20 | 77 77 dd 1H J 51 75 | 73 73 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2[nH]ccc2cc1C(=O)NCc1ccc(Oc2ccccc2)s1
ir: 1 2 4 5 9 3 2 3 6 4 4 5 8 5 2 3 5 3 2 6 10 7 3 12 10 3 3 1 2 1 2 2 1 2 1 1 4 12 3 3 4 7 27 37 21 18 6 3 3 2 2 3 1 2 2 1 2 1 1 5 3 1 1 1 2 1 1 3 4 1 1 1 1 1 1 1 1 2 4 2 4 1 1 1 1 1 1 1 1 3 2 3 1 1 2 1 1 1 1 1 1 1 2 1 0 2 7 3 1 1 1 3 1 1 1 1 2 2 1 1 1 2 3 3 2 1 1 2 1 1 4 2 1 1 1 2 1 1 3 3 6 6 5 8 5 6 20 4 11 18 100 8 12 17 68 28 10 3 3 4 1 1 3 10 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 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 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 1 2 2 1 2 2 6 28 17 7 4 4 4 1 1 0 1 1 0 0 1 1 1 2 2 14 4 2 5 2 8 5 11 12 3 4 10 13 81 21 2 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 m 2H | 74 73 m 2H | 73 72 dd 1H J 49 65 | 72 72 dt 1H J 10 71 | 70 70 tt 1H J 14 73 | 69 68 m 2H | 68 68 s 2H | 68 67 dd 1H J 20 49 | 66 65 d 1H J 71 | 46 46 dd 2H J 7 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc(N)cc2)cn1
ir: 10 31 61 69 52 20 23 25 6 17 14 15 9 11 21 7 7 4 4 5 4 4 3 3 3 4 4 3 5 3 4 3 4 6 5 5 6 4 3 4 4 5 3 5 5 3 4 4 3 5 5 8 11 23 100 0 8 5 6 6 6 5 6 8 5 4 5 4 5 11 4 3 3 3 7 15 6 25 9 11 4 3 4 3 2 2 3 4 7 13 18 10 3 3 3 3 3 3 4 3 3 3 4 3 3 4 24 4 3 3 3 3 2 3 3 5 3 4 14 5 5 3 3 5 3 4 3 3 4 3 3 5 7 13 3 3 3 3 3 2 3 3 3 3 3 3 4 4 4 10 4 17 13 57 34 8 8 6 83 14 5 4 5 3 4 6 4 4 3 3 3 3 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 4 3 3 2 3 3 2 3 4 3 4 3 3 3 3 3 5 3 3 4 6 4 4 3 5 5 4 8 45 51 12 19 13 8 4 3 3 3 3 3 3 3 2 3 4 3 9 75 5 4 3 2 3 3 3 3 3 8 59 90 9 5 5 4 5 3 3 3 2 2 2 3 3 3 2 3 2 2 2 3 2 2 2 3 3 3 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 s 1H | 78 78 s 1H | 75 75 m 2H | 67 67 m 2H | 45 44 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(OCCCN2CCCCC2)cc1
ir: 2 1 2 1 1 1 1 2 2 3 2 2 3 4 4 2 2 6 4 8 15 18 17 14 10 9 3 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 3 1 1 1 1 1 2 1 2 2 4 3 1 1 1 1 1 0 0 0 1 2 2 1 3 1 1 2 1 2 2 5 2 3 7 9 2 2 3 3 5 8 6 3 1 3 2 1 1 1 1 1 1 2 1 2 3 2 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 2 1 0 1 0 1 2 1 1 1 1 1 3 4 2 1 1 2 6 2 2 1 2 1 1 0 1 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 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 0 1 1 2 3 1 4 5 3 2 1 2 1 0 3 15 100 93 37 15 6 3 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dq 2H J 9 82 | 69 68 m 2H | 40 40 m 2H | 35 35 t 2H J 9 | 26 25 m 2H | 25 25 m 4H | 19 18 p 2H J 65 | 16 16 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=C/C(=O)Nc2cc3ccccc3cc2C(=O)O)cc1OC
ir: 1 1 1 1 1 1 2 2 1 1 1 8 5 14 5 5 5 3 2 3 5 7 100 11 2 3 4 1 1 3 6 2 1 2 1 1 1 1 2 2 2 9 16 7 16 19 6 2 2 2 2 1 2 8 4 4 1 2 2 1 2 1 1 4 2 4 7 13 2 8 2 1 1 6 2 14 6 5 31 3 3 5 6 4 2 6 1 2 5 2 2 4 2 1 1 3 2 2 6 1 2 3 1 1 1 2 4 4 3 2 1 1 1 1 1 10 4 2 0 3 3 4 3 2 3 1 1 1 2 1 1 1 1 1 2 6 19 2 2 2 7 2 1 4 6 29 6 2 8 15 6 2 1 7 26 4 24 1 2 8 23 1 1 1 1 0 1 1 1 2 2 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 3 6 13 9 33 31 14 3 2 1 1 1 0 4 45 1 1 1 1 1 1 2 2 2 3 4 3 4 10 6 4 4 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 84 84 m 1H | 79 79 dt 1H J 15 79 | 78 77 ddd 1H J 16 25 78 | 77 76 dd 1H J 7 159 | 76 75 ddd 1H J 14 69 80 | 75 75 m 2H | 74 73 m 2H | 69 69 d 1H J 84 | 68 67 d 1H J 159 | 39 38 d 7H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(N2CCOCC2)cc(C(F)(F)F)c1
ir: 7 15 19 5 13 3 4 1 2 2 1 1 2 1 1 5 1 2 4 4 8 2 3 3 1 1 1 5 3 1 7 10 3 1 2 2 2 2 2 2 1 1 1 1 1 1 2 2 1 1 2 2 6 8 1 2 2 0 1 1 1 0 2 6 4 2 19 38 6 4 2 2 1 37 5 0 3 9 5 2 2 5 2 24 2 1 2 3 1 0 1 1 1 1 4 6 3 7 16 22 5 2 2 2 0 11 13 2 3 5 5 3 4 7 2 2 1 1 2 2 7 3 2 2 1 2 1 3 2 3 2 1 2 2 2 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 3 2 11 15 23 20 2 1 2 3 6 36 22 6 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 3 1 1 1 2 1 1 3 8 1 8 34 7 6 2 0 1 1 1 0 1 1 1 0 1 1 1 0 3 38 100 2 0 0 1 1 1 1 1 2 2 37 42 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 71 71 t 1H J 21 | 68 68 t 1H J 22 | 61 61 t 1H J 22 | 53 52 s 2H | 39 38 dd 4H J 44 51 | 34 34 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCN(C[C@H]2COc3c(F)cnc4ccc(=O)n2c34)CC1
ir: 7 4 3 6 2 5 3 3 3 6 2 3 2 2 9 3 2 1 3 3 12 10 3 5 2 3 7 38 35 14 15 4 3 5 5 1 2 5 6 2 5 2 2 12 30 6 11 42 5 1 2 2 4 4 3 2 2 2 3 3 4 4 8 2 2 1 1 1 3 7 2 1 1 2 9 5 2 4 6 3 8 14 5 5 3 2 3 8 5 3 1 3 3 12 11 11 6 4 7 7 3 3 4 5 4 4 6 3 7 7 4 10 6 13 6 6 5 6 1 12 14 4 6 5 5 5 10 11 5 3 7 4 5 2 1 3 3 3 8 9 2 2 0 5 10 36 59 7 8 12 24 24 3 3 1 2 1 1 8 1 1 14 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 3 2 3 6 5 5 10 12 20 5 4 4 12 24 6 2 1 2 2 1 1 1 1 3 1 1 1 1 1 1 1 1 2 5 20 100 25 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 139 | 79 79 d 1H J 95 | 68 67 d 1H J 95 | 45 44 m 2H | 43 42 m 2H | 37 36 dp 1H J 44 71 | 31 30 m 1H | 29 28 m 1H | 28 27 ddd 2H J 55 82 126 | 26 25 ddd 2H J 55 82 126 | 19 18 dddd 2H J 45 56 81 127 | 17 16 dddd 2H J 45 56 82 129 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC
ir: 8 4 4 3 2 5 4 9 19 10 19 12 16 7 5 3 5 5 3 2 3 7 11 6 18 29 4 4 2 6 6 5 4 5 11 11 3 2 3 9 14 43 34 35 6 6 2 3 2 2 8 12 17 14 23 6 4 2 2 3 3 4 5 6 3 2 4 7 20 20 3 3 2 2 7 5 2 2 5 7 1 1 2 3 1 2 4 4 7 5 6 2 4 6 5 2 9 4 2 1 3 18 6 5 3 2 12 15 27 4 4 2 0 3 6 1 3 3 7 4 5 7 4 1 3 4 2 2 2 2 4 2 1 2 3 19 9 44 4 4 9 18 50 34 38 8 3 2 1 4 23 5 26 8 6 15 2 4 2 2 1 3 4 4 6 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 1 2 3 2 3 7 10 8 100 28 14 15 8 3 3 4 3 2 0 2 2 1 1 2 2 1 1 2 2 2 4 14 33 22 38 69 9 5 2 3 2 1 1 2 2 1 1 1 2 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 98 d 1H J 73 | 82 82 d 1H J 72 | 82 82 m 1H | 75 74 m 3H | 74 73 m 3H | 73 73 m 1H | 72 72 ddd 1H J 11 72 83 | 68 68 d 1H J 88 | 65 64 d 1H J 22 | 64 64 d 1H J 82 | 63 63 dd 1H J 20 88 | 61 60 dt 1H J 8 82 | 39 39 s 2H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)ccc1C1CCCN(C(=O)c2cnn(C)c2)C1
ir: 2 3 5 5 5 3 4 4 4 3 1 1 5 5 3 5 6 4 2 1 1 3 2 1 0 1 0 0 1 1 1 2 1 2 4 2 4 3 6 13 100 25 8 7 7 8 4 3 2 13 2 2 7 21 42 12 3 3 3 6 2 2 5 3 5 2 3 2 10 2 3 7 3 6 3 2 1 1 1 1 1 1 1 2 6 3 12 1 3 12 6 26 5 3 6 5 5 14 11 5 5 4 6 5 3 4 5 2 1 4 3 14 15 4 2 3 4 3 6 7 3 3 10 8 8 4 11 29 9 6 10 4 10 12 12 2 11 8 3 2 3 2 2 2 7 5 6 9 68 21 5 14 67 24 4 3 1 3 1 12 4 3 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 1 1 4 4 1 1 2 4 3 3 7 5 1 3 2 4 10 23 5 17 60 24 23 24 8 7 4 2 2 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 1; 1HNMR: 78 78 s 1H | 77 77 s 1H | 72 72 d 1H J 20 | 72 71 m 2H | 41 41 dd 1H J 46 115 | 40 39 s 3H | 39 38 dd 1H J 45 116 | 35 34 m 2H | 32 32 m 1H | 24 23 s 2H | 21 19 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(CC(=O)OC)(CC(=O)OC)C(=O)OC
ir: 9 5 6 3 5 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 2 2 4 3 3 2 4 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 2 1 0 3 5 7 9 3 4 6 6 3 2 3 2 2 5 4 1 1 1 2 8 8 9 1 2 2 1 1 1 1 3 1 1 1 1 1 4 5 11 3 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 2 9 9 4 6 3 2 3 1 3 3 3 5 9 5 4 7 5 7 8 5 4 4 3 1 1 18 100 25 5 2 0 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 2 2 2 2 1 2 3 2 1 2 4 7 8 3 2 3 1 2 4 1 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 59 58 ddt 1H J 55 112 166 | 53 53 ddt 1H J 15 24 110 | 51 51 ddt 1H J 13 24 165 | 42 41 dt 2H J 14 55 | 38 38 s 3H | 36 36 s 6H | 32 31 s 1H | 31 31 s 1H | 30 29 s 1H | 29 29 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(CC(F)(F)c1ccccn1)c1cccc(CC(=O)O)n1
ir: 0 1 2 3 3 2 2 1 3 2 7 4 4 1 2 1 5 3 6 5 9 21 7 8 4 5 2 4 1 1 1 2 3 2 1 1 1 3 1 3 5 1 1 1 2 6 6 6 4 5 3 2 1 1 3 5 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 2 20 6 6 5 3 1 2 1 0 1 1 1 1 1 1 1 1 2 1 2 1 0 1 1 1 2 2 2 2 1 0 0 1 2 1 1 0 0 2 1 1 1 3 2 1 1 2 2 1 3 1 2 1 2 2 1 3 6 6 3 7 9 5 4 5 5 5 1 1 1 2 0 1 15 2 4 3 21 11 11 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 0 1 0 2 1 5 4 5 26 17 4 1 0 1 1 2 7 100 62 13 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 dd 1H J 17 33 | 80 79 ddd 1H J 17 68 93 | 77 76 dq 1H J 13 91 | 76 75 m 2H | 74 73 dd 1H J 11 73 | 72 71 dq 1H J 10 77 | 50 49 t 2H J 128 | 36 35 d 2H J 8 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(Cc1ccccc1C1OC(c2ccccc2)C(C)N1C)OCC
ir: 1 5 3 2 1 2 8 4 0 2 4 2 10 11 8 5 4 4 2 1 1 2 2 2 2 2 2 3 3 4 5 7 6 4 2 2 4 6 6 23 48 17 21 12 5 6 15 9 8 5 3 3 2 1 1 2 1 1 3 5 2 2 2 3 3 4 6 32 13 30 4 6 6 25 27 4 9 10 9 13 46 37 32 23 16 6 0 1 4 10 10 43 4 7 4 10 5 6 6 3 2 4 6 1 2 2 1 1 1 3 3 3 8 6 23 8 13 4 4 6 4 3 4 2 5 6 7 4 5 7 9 8 2 4 5 23 9 63 1 2 2 2 3 22 25 1 3 1 5 15 2 2 7 2 1 2 1 0 1 2 1 1 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 5 3 3 2 3 2 1 4 3 5 8 4 5 12 8 27 19 16 100 26 20 6 4 1 1 3 3 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 0 1 0 1 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 74 73 m 4H | 73 72 m 3H | 56 55 dt 1H J 10 20 | 48 47 dqt 1H J 8 14 37 | 43 42 dq 4H J 72 84 | 38 37 m 2H | 33 32 qdd 1H J 15 36 64 | 24 24 t 3H J 14 | 14 13 td 6H J 7 73 | 12 11 dd 3H J 16 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Sc1cccc(Br)n1
ir: 1 1 1 2 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 1 5 8 1 1 1 1 1 1 1 1 1 1 3 6 61 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 1 1 2 1 1 3 4 2 1 28 0 3 2 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 3 2 5 3 4 2 1 1 1 1 1 1 1 2 3 2 2 2 1 3 5 2 2 1 2 2 2 1 1 4 100 8 5 3 1 2 2 1 1 1 1 1 1 1 1 2 2 3 2 94 8 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 3 2 3 4 7 8 3 5 7 3 3 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 1H | 73 73 dd 1H J 13 71 | 72 72 dd 1H J 13 77 | 38 37 p 1H J 60 | 14 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCC(Br)C=O
ir: 4 3 5 5 2 4 7 4 2 3 3 1 7 4 1 2 1 3 2 1 3 2 2 2 3 2 2 2 1 1 1 1 1 1 1 2 2 5 19 17 10 2 8 4 3 6 1 1 2 2 2 2 2 7 2 2 2 1 1 1 1 5 1 2 1 3 2 0 2 1 1 1 2 2 3 6 2 2 1 1 1 1 0 1 0 1 1 1 1 1 3 4 9 31 14 7 15 11 12 9 12 17 85 35 21 22 33 100 18 31 15 22 7 12 14 5 9 10 20 20 9 7 6 4 2 2 2 3 2 0 2 1 1 1 1 1 2 1 1 1 2 1 2 3 3 3 16 75 76 18 5 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 0 1 0 1 0 0 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 0 1 1 0 1 1 2 1 2 2 3 2 6 5 10 19 15 20 8 5 6 7 6 15 31 44 66 10 8 4 2 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 97 97 dt 1H J 10 51 | 45 44 td 1H J 50 70 | 22 21 m 1H | 20 19 m 1H | 16 15 dtt 1H J 72 86 143 | 15 13 m 1H | 14 13 m 1H | 13 12 m 7H | 13 12 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.
CCCCC1CC(=O)NN=C1c1ccccc1
ir: 2 3 4 4 2 4 7 11 18 11 11 14 14 9 5 10 18 23 7 4 3 3 5 4 3 3 3 6 16 81 100 34 7 8 7 11 15 6 7 3 8 49 57 0 3 8 5 1 3 12 30 35 4 5 3 2 4 14 19 3 4 5 3 2 3 5 5 3 8 32 4 5 7 11 7 14 12 9 6 3 4 4 2 3 3 4 2 2 4 4 2 4 9 35 10 33 43 9 4 4 4 5 7 9 4 8 4 7 8 9 8 16 14 12 5 30 20 20 20 47 22 49 15 11 21 10 16 15 6 9 8 6 12 6 55 69 50 44 7 12 15 17 34 22 11 6 5 7 5 3 4 25 19 3 3 7 13 45 48 7 22 4 3 5 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 4 2 2 3 4 2 3 3 3 2 2 3 4 2 2 3 3 2 2 4 4 3 3 6 5 4 6 9 6 10 6 11 8 5 14 12 11 12 25 40 28 73 31 14 13 10 7 5 4 3 4 7 4 3 4 5 2 3 5 6 4 4 6 11 36 69 70 38 14 13 8 8 3 2 4 5 3 3 4 3 2 2 4 3 1 2 3 3 1 2 4 3 2 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3; 1HNMR: 92 92 s 1H | 78 77 m 2H | 75 74 m 3H | 31 30 m 1H | 28 27 dd 1H J 71 152 | 25 24 dd 1H J 70 153 | 19 18 dtd 1H J 65 82 128 | 17 16 dtd 1H J 64 82 126 | 15 14 m 1H | 14 13 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NCCC(=O)Nc2ccc3nc(C)cc(N)c3c2)nc(N)n1
ir: 2 7 5 9 13 4 6 6 6 4 2 4 0 3 4 4 3 3 2 2 2 2 1 1 2 2 2 2 2 2 3 2 5 7 9 10 17 7 5 4 3 4 3 3 1 3 3 2 2 0 1 2 2 2 1 0 3 6 3 2 5 4 4 1 5 2 5 8 2 2 1 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 3 1 1 2 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 2 2 4 2 0 1 1 1 1 1 1 1 1 4 5 2 4 6 8 12 16 33 20 6 2 3 5 11 8 4 3 2 11 15 6 23 4 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 12 11 4 1 1 1 1 1 0 1 1 0 0 1 2 0 2 3 9 28 3 6 7 13 17 14 4 3 3 7 20 100 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 81 81 d 1H J 22 | 78 77 dd 1H J 22 82 | 76 76 d 1H J 84 | 65 65 d 1H J 7 | 65 64 t 1H J 49 | 58 57 s 1H | 57 56 s 2H | 52 52 s 2H | 37 36 td 2H J 48 59 | 27 27 t 2H J 59 | 24 24 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(S)nc2cnc3ccccc3c21
ir: 2 2 4 2 3 3 9 2 4 3 4 10 3 13 5 7 3 7 4 4 3 4 5 2 1 3 6 6 5 4 3 1 2 2 3 4 5 2 3 4 6 1 69 16 100 10 4 1 4 6 5 1 4 6 5 0 2 4 2 0 2 6 3 2 2 4 2 0 2 3 2 3 4 5 5 7 6 4 1 1 3 3 2 1 5 4 3 2 3 4 10 7 3 2 1 2 12 5 4 5 3 2 1 2 3 2 1 5 5 6 0 2 3 3 1 3 4 2 1 4 4 6 5 5 4 10 9 10 3 2 1 3 2 2 2 5 6 11 4 9 3 1 1 3 3 3 2 5 8 8 5 11 11 2 2 4 5 4 2 7 7 2 2 3 2 0 4 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 2 1 2 3 2 1 2 3 3 3 3 6 7 16 10 12 13 3 3 4 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 90 89 s 1H | 83 83 dd 1H J 15 78 | 81 80 dd 1H J 15 81 | 77 77 ddd 1H J 14 69 81 | 77 76 ddd 1H J 13 69 82 | 48 48 s 1H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCSc1nc(N)cc(N)n1
ir: 8 2 10 6 6 4 14 7 4 6 13 11 5 3 4 9 3 6 3 6 2 3 4 2 3 3 2 2 2 1 3 4 4 3 3 13 58 41 33 3 6 5 3 6 3 4 2 2 3 3 3 2 2 3 2 1 6 2 2 2 3 9 14 39 23 9 2 2 3 4 2 3 3 5 8 1 6 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 2 4 2 2 1 1 2 2 2 2 2 2 1 1 1 1 1 1 2 3 2 2 2 2 1 2 2 12 2 2 2 2 2 2 2 1 2 2 1 17 4 9 87 11 12 15 100 15 16 25 7 2 3 2 2 3 5 55 9 1 2 3 2 1 2 3 1 0 1 2 2 1 1 2 1 0 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 8 2 2 1 2 3 1 2 3 2 2 2 1 1 1 2 2 1 4 2 2 4 17 22 5 3 4 2 2 1 3 2 2 2 3 53 4 4 3 2 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 62 62 s 2H | 59 59 s 2H | 53 53 s 1H | 42 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H]1CN(c2ccc3c(c2)CC(=O)N3C(C)C)C(=O)O1
ir: 36 18 3 7 1 2 3 3 11 19 12 6 2 10 6 5 10 5 2 7 4 3 4 6 10 6 22 16 15 13 10 5 12 5 2 32 26 47 37 5 3 4 1 2 9 7 4 1 4 2 2 2 1 4 20 20 4 2 1 2 1 2 3 3 7 3 5 2 11 59 24 3 3 19 19 4 2 3 2 1 2 2 4 25 4 4 3 3 1 2 2 4 1 1 2 6 13 2 2 2 1 1 5 15 15 6 4 3 4 5 9 14 4 6 12 8 4 7 2 9 24 44 25 15 46 18 26 6 6 11 18 24 5 2 2 2 1 1 1 3 4 4 7 100 98 61 100 12 12 93 66 21 44 49 22 12 3 2 2 2 2 1 2 4 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 5 1 1 3 3 9 5 4 3 3 8 2 7 8 26 14 10 44 25 12 7 3 1 1 1 1 1 0 1 2 2 1 2 2 1 2 3 8 47 68 82 59 64 41 9 5 4 3 0 0 2 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 dt 1H J 8 19 | 74 73 dd 1H J 21 81 | 73 72 d 1H J 82 | 65 64 q 1H J 51 | 52 51 dd 1H J 12 32 | 46 45 hept 1H J 71 | 43 42 dd 1H J 12 131 | 41 40 dd 1H J 31 130 | 35 34 d 2H J 9 | 28 27 d 3H J 51 | 14 13 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C)cc(O)nc2c1
ir: 2 3 4 3 3 6 10 7 13 18 23 21 14 8 5 3 2 4 4 4 6 6 7 6 6 4 23 4 17 25 7 2 3 3 3 2 2 2 2 2 3 3 4 3 2 3 11 7 12 5 4 2 3 3 3 5 6 9 9 15 13 11 5 8 14 11 17 17 29 16 6 12 7 9 11 13 15 31 13 5 5 4 5 2 2 2 2 2 4 2 3 2 2 2 2 2 2 2 11 3 3 5 2 2 4 3 2 4 5 8 2 3 5 5 4 6 3 3 3 4 3 2 2 3 3 3 2 2 3 3 3 2 2 3 2 2 2 4 4 4 17 14 12 4 3 2 1 3 2 3 3 3 4 3 6 9 7 5 9 13 18 9 3 3 3 9 7 7 3 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 3 2 1 3 3 3 4 4 10 19 14 31 14 6 3 3 3 2 0 36 57 100 53 5 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 d 1H J 88 | 72 72 d 1H J 22 | 71 70 dd 1H J 21 87 | 63 63 d 1H J 7 | 38 38 s 3H | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1
ir: 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 8 41 11 3 2 2 1 2 5 2 4 6 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 1 1 2 3 4 6 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 12 1 1 2 1 7 3 3 4 2 6 24 2 6 3 4 100 4 0 2 8 2 0 1 1 1 1 1 1 68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 13 9 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 10 6 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; 1HNMR: 81 80 d 1H J 25 | 80 80 d 1H J 82 | 79 78 dd 1H J 26 82 | 74 74 t 1H J 53 | 70 69 ddt 1H J 9 18 90 | 68 68 dt 1H J 8 18 | 68 67 d 1H J 90 | 59 59 s 2H | 48 47 dt 2H J 9 55 | 45 45 t 2H J 58 | 38 37 t 2H J 58 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(-c3cccc(S(N)(=O)=O)c3)n2)c1
ir: 10 10 9 7 3 2 2 2 1 1 3 2 2 2 25 6 9 5 2 2 1 1 1 1 1 1 1 1 1 6 3 4 4 2 8 7 12 16 6 3 1 0 0 1 1 2 10 4 4 1 1 1 1 1 3 12 6 2 1 1 1 1 2 8 37 2 7 6 3 4 3 3 4 13 5 4 6 8 4 7 7 6 23 21 8 20 40 17 8 18 9 6 2 2 1 9 8 2 5 28 4 4 3 2 1 2 2 1 1 1 3 3 19 2 7 4 14 15 12 47 19 5 4 6 5 10 4 3 3 4 16 4 0 1 1 2 54 3 2 7 6 5 5 35 2 3 9 6 4 15 3 0 1 7 8 4 5 11 5 2 1 5 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 6 3 6 24 35 24 7 3 3 2 0 2 1 1 1 1 1 1 1 1 1 2 10 49 37 7 3 7 100 27 4 4 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 85 84 d 1H J 48 | 84 84 t 1H J 22 | 82 81 m 2H | 81 81 m 2H | 79 79 ddd 1H J 13 22 82 | 77 76 m 4H | 75 75 d 1H J 23 | 65 64 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1
ir: 0 1 3 2 1 2 5 2 4 2 3 1 1 8 3 2 1 1 1 1 2 3 1 1 1 3 2 1 1 2 3 2 5 3 2 8 3 3 4 24 22 8 15 19 8 5 3 3 3 6 2 2 2 1 5 3 3 4 8 1 1 2 1 0 1 2 1 1 2 9 1 1 1 5 2 6 4 3 1 1 1 3 1 4 2 3 1 2 2 3 6 2 2 1 3 2 2 1 2 3 2 1 4 25 5 4 2 8 3 1 0 2 3 4 1 2 3 4 1 3 2 2 1 2 4 6 7 2 5 2 1 1 2 2 1 13 30 24 6 5 3 15 16 10 6 16 5 7 3 13 7 33 18 10 8 2 2 1 3 3 4 0 2 30 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 3 6 5 5 20 100 20 5 5 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 20 18 14 5 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 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; 1HNMR: 89 88 s 1H | 79 78 m 2H | 78 78 m 2H | 77 76 dd 1H J 16 80 | 77 76 m 2H | 75 72 m 8H | 72 72 ddt 1H J 9 17 77 | 41 40 t 2H J 62 | 31 31 td 2H J 8 62 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccc(Cl)cc1)c1ccc([C@H]2CNCCO2)cc1
ir: 1 1 1 1 1 1 1 5 4 4 2 3 2 3 2 3 3 3 2 6 7 2 1 1 2 2 2 2 2 1 2 1 1 3 2 1 2 1 4 7 2 4 7 7 9 4 3 1 6 8 17 6 17 42 46 99 66 36 33 20 10 24 7 6 2 3 5 5 6 12 8 13 7 6 4 7 7 11 3 2 1 1 1 1 0 1 4 6 4 13 23 15 3 2 2 1 2 3 1 2 2 1 2 1 2 1 0 3 17 83 56 18 25 13 37 23 16 7 3 2 4 2 5 2 3 2 2 6 23 5 3 2 3 2 3 1 0 1 1 0 0 1 1 1 1 4 7 13 36 16 66 25 13 17 8 3 2 1 1 0 1 2 2 1 8 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 4 2 1 2 4 5 8 9 29 100 46 31 27 9 3 2 3 3 2 1 1 1 2 2 1 4 12 12 10 72 97 75 35 10 5 1 0 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 71 70 m 4H | 47 46 m 1H | 39 38 ddd 1H J 19 39 114 | 38 37 ddd 1H J 19 39 114 | 33 33 ddd 1H J 11 50 132 | 32 32 s 2H | 32 31 tt 1H J 39 49 | 31 30 ddd 1H J 38 49 132 | 31 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCn1c(CNC(=O)C(C)(C)C)nc2cc(C=CC(=O)OC)ccc21
ir: 4 7 7 13 15 8 5 22 30 12 6 5 2 3 5 2 2 2 2 4 6 6 4 4 12 5 5 4 5 2 8 3 3 5 12 37 24 13 17 24 21 25 14 11 6 6 2 4 3 2 2 2 6 19 14 9 8 5 4 6 3 12 7 11 19 10 3 4 8 20 10 5 5 8 8 3 4 4 5 11 21 16 10 11 19 30 12 5 3 2 3 4 11 3 6 5 5 5 5 4 10 6 2 3 3 4 4 6 7 3 6 4 3 2 5 2 3 5 8 10 4 13 0 12 21 8 33 10 1 7 16 8 7 7 36 14 11 12 12 7 11 17 26 24 16 51 100 20 28 3 4 5 4 3 5 4 2 1 1 1 12 0 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 2 2 4 3 2 2 3 3 4 7 18 18 34 20 11 21 5 3 3 2 1 3 2 3 3 2 2 2 1 3 2 2 2 2 3 5 4 21 45 30 8 5 5 3 3 2 2 2 2 1 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 7 161 | 76 75 d 1H J 19 | 75 75 m 1H | 74 73 m 2H | 64 64 d 1H J 161 | 45 45 d 2H J 35 | 42 41 t 2H J 46 | 38 37 s 3H | 29 29 t 2H J 46 | 28 27 q 5H J 69 | 12 11 s 8H | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nnc(-c2cc(C(=O)N3CCC(c4ccc(C(N)=O)cc4)CC3)c(CC)cc2CC)[nH]1
ir: 2 2 2 1 0 1 2 3 3 7 10 6 5 7 13 7 2 2 3 4 4 5 3 2 2 3 2 2 5 8 47 19 10 9 2 11 12 8 30 28 22 6 5 2 2 3 2 2 3 3 1 2 1 2 8 23 7 7 3 1 1 2 1 2 6 3 3 0 4 5 6 0 8 6 6 11 3 1 1 2 2 2 3 1 2 3 2 2 3 2 2 4 5 4 1 1 2 2 1 3 3 2 0 2 2 2 2 2 4 3 3 6 6 4 5 6 10 10 0 8 7 7 3 8 12 5 17 6 3 2 2 4 4 3 2 3 8 6 2 9 25 16 34 19 7 8 15 48 51 5 5 4 14 3 7 5 5 4 100 4 4 3 2 7 3 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 4 2 2 1 2 2 3 9 11 6 9 19 9 5 2 1 2 2 1 1 1 1 1 2 1 2 1 1 8 3 2 2 2 2 1 4 9 33 19 9 2 20 13 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 1H | 82 82 s 1H | 78 77 m 2H | 74 73 p 1H J 9 | 72 72 m 2H | 67 67 s 2H | 45 44 q 2H J 67 | 39 38 ddd 2H J 58 84 121 | 35 34 ddd 2H J 57 84 121 | 29 28 m 1H | 28 27 dqd 4H J 9 74 139 | 22 21 ddt 2H J 56 84 130 | 20 19 ddt 2H J 56 84 130 | 16 15 t 3H J 67 | 13 12 td 6H J 40 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC[C@H](N)C(=O)OC
ir: 8 12 13 10 11 6 4 7 9 7 2 2 1 1 3 2 3 5 1 2 1 2 1 1 2 6 3 1 1 5 2 0 1 1 1 0 1 1 2 2 3 2 3 2 2 4 3 3 4 2 1 2 7 6 10 5 16 12 6 1 5 6 16 18 19 15 11 12 12 10 12 15 51 23 23 17 45 100 75 31 7 14 32 26 3 0 3 1 1 1 2 2 1 2 3 3 12 5 6 5 3 4 2 2 3 3 3 5 11 8 17 13 14 13 9 4 5 7 12 10 14 23 14 20 44 13 1 10 11 3 2 6 14 26 33 21 7 5 3 1 4 11 14 43 74 50 8 9 2 2 1 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 1 3 4 6 3 2 2 2 5 4 10 11 11 5 2 1 1 1 1 1 1 0 1 2 1 0 2 3 6 13 23 43 23 24 13 9 13 73 68 4 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 54 53 d 2H J 65 | 38 37 m 1H | 37 37 s 2H | 37 36 s 2H | 24 22 m 2H | 20 19 m 1H | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C1(Nc2ccc(I)cc2)CCCC1
ir: 6 3 3 2 2 2 3 5 16 4 3 5 10 19 13 4 2 5 11 18 10 10 14 5 3 3 2 4 3 4 3 9 13 11 11 15 11 5 1 3 2 2 2 2 2 1 2 2 2 1 1 2 2 2 10 15 7 3 2 1 2 1 1 1 1 1 2 1 2 4 2 1 2 2 1 1 2 2 2 4 10 3 1 1 2 2 2 3 2 2 2 2 2 2 0 7 2 2 2 2 2 2 3 3 3 8 3 2 2 1 1 2 2 2 2 2 4 2 2 1 2 2 2 4 2 3 1 1 2 1 2 1 1 1 1 1 2 2 4 12 9 2 2 2 3 14 3 10 5 6 3 3 3 16 2 3 14 35 4 2 1 2 8 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 1 1 1 1 1 1 2 2 2 1 2 2 1 2 2 2 1 4 4 6 10 7 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 31 2 2 4 4 3 24 44 6 1 1 5 10 100 4 0 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 68 67 s 2H | 67 66 m 2H | 59 59 s 1H | 23 22 m 2H | 20 19 m 4H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2cc(C=O)c(N3CC(C)OC(C)C3)c(F)c2F)cn1
ir: 5 2 2 2 1 2 4 44 18 6 43 6 5 8 8 6 3 4 10 6 4 1 3 7 4 1 1 2 3 4 1 1 5 0 1 1 3 2 1 2 5 4 3 4 1 2 2 8 17 5 2 1 1 3 4 4 4 11 5 10 11 23 4 2 3 4 2 2 4 17 100 19 7 2 4 5 9 15 19 6 5 32 5 2 1 2 17 1 2 1 2 9 32 36 6 3 16 36 8 3 3 1 0 3 17 8 16 7 4 5 4 5 6 5 2 8 8 31 9 4 3 4 2 2 5 11 11 14 14 6 4 14 10 7 6 37 2 4 4 1 1 3 5 1 1 1 4 4 1 6 0 2 3 10 0 2 2 9 25 1 0 3 1 1 0 1 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 3 2 1 2 1 3 2 1 3 3 6 2 3 11 11 2 8 74 10 5 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 d 1H J 20 | 84 84 s 1H | 83 82 d 1H J 40 | 39 39 dtd 2H J 30 54 84 | 31 31 dd 2H J 30 114 | 29 28 dd 2H J 29 115 | 25 24 d 3H J 7 | 12 12 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1COc2c(cc3cccc(F)c3c2F)C1
ir: 1 2 3 2 4 3 7 3 2 4 3 2 2 8 3 2 2 2 2 3 3 2 2 26 1 3 3 1 2 3 2 1 2 3 6 2 2 3 2 2 2 3 2 3 6 4 8 0 2 4 4 1 4 6 3 1 2 3 2 4 3 4 4 2 3 15 5 2 7 3 9 3 4 6 2 2 3 4 10 1 2 3 2 2 2 2 2 2 2 3 2 9 2 3 2 3 3 5 25 3 4 3 2 3 3 6 5 14 3 3 85 3 4 2 0 3 4 4 11 6 7 4 3 5 3 2 2 3 3 2 2 3 4 2 1 3 3 2 2 15 4 2 2 2 3 1 1 3 10 2 6 6 4 2 2 3 2 1 2 4 2 2 2 2 2 3 62 4 2 0 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 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 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 3 2 3 3 3 3 4 4 3 3 4 6 9 14 12 10 19 100 23 13 5 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 75 75 ddd 1H J 11 22 74 | 75 74 td 1H J 49 75 | 72 72 m 1H | 72 71 ddd 1H J 11 77 101 | 43 42 dd 1H J 47 107 | 40 39 dd 1H J 48 106 | 30 29 ddd 1H J 9 70 139 | 28 27 ddd 1H J 8 70 139 | 23 22 qt 1H J 47 70 | 10 10 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CCc1ccc(F)cc1)N1CCC(CNc2ncccn2)CC1
ir: 10 10 19 25 3 6 4 7 1 7 7 3 3 5 3 2 2 3 3 3 1 2 4 2 1 3 3 2 1 1 1 1 1 1 2 1 2 1 1 1 2 2 2 2 1 2 1 3 5 3 6 21 38 64 15 15 8 6 2 2 2 3 2 1 3 11 6 2 7 5 5 2 2 4 2 4 5 7 4 3 10 24 5 4 4 11 10 13 13 8 5 2 6 4 9 7 6 12 3 6 4 4 2 12 4 3 3 4 1 3 3 3 3 2 2 2 3 3 7 4 1 2 2 3 6 2 5 5 6 7 7 10 6 6 3 3 3 3 5 6 18 15 5 5 5 3 27 30 33 11 4 2 12 18 66 16 9 1 1 2 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 4 4 2 2 2 1 2 2 2 4 10 5 5 20 12 6 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 2 3 4 3 8 6 19 100 10 6 2 1 1 1 0 1 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 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 83 83 d 2H J 44 | 72 72 ddt 2H J 9 35 81 | 71 70 m 2H | 65 65 t 1H J 43 | 56 56 t 1H J 58 | 36 35 m 4H | 33 32 ddd 2H J 70 97 128 | 32 31 ddd 2H J 70 96 128 | 30 29 tt 2H J 10 95 | 21 19 m 3H | 17 16 dddd 2H J 52 70 97 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1
ir: 1 1 1 1 4 3 2 1 1 1 3 10 6 3 2 2 2 1 1 1 1 1 10 4 1 1 1 0 1 2 1 2 2 1 0 1 1 1 0 3 4 11 18 17 5 1 3 2 4 2 2 1 7 7 19 21 14 5 8 5 5 0 6 2 4 4 2 2 3 46 23 83 8 4 3 3 1 0 5 1 1 1 2 7 3 16 4 2 6 11 5 6 2 2 1 2 1 5 2 4 2 6 5 2 2 6 8 13 4 9 15 2 4 1 2 1 2 5 23 3 6 7 9 6 6 6 2 5 33 2 3 3 4 2 2 2 6 2 1 2 8 7 2 0 0 1 1 1 3 14 22 34 6 17 8 9 2 2 3 0 1 2 1 0 1 1 4 5 1 7 1 1 2 2 1 5 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 2 1 2 2 3 2 2 3 4 4 4 6 22 20 80 100 76 23 11 8 2 2 10 22 2 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 m 2H | 82 82 d 1H J 79 | 80 80 dd 1H J 10 76 | 80 79 m 1H | 78 77 m 2H | 76 76 t 1H J 8 | 76 76 m 2H | 76 75 td 1H J 16 80 | 75 75 m 2H | 71 70 m 2H | 53 52 d 2H J 10 | 41 40 m 2H | 38 37 ddd 1H J 7 42 121 | 30 29 d 1H J 55 | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C(CC(=O)NN=C=O)N2C(=O)c3cccc(C)c3C2=O)ccc1OC
ir: 3 4 8 7 6 4 5 8 4 7 4 3 4 5 1 3 2 4 8 2 4 4 3 6 3 5 9 6 9 7 4 5 8 8 9 6 10 8 21 77 19 38 13 10 5 25 42 11 11 8 9 7 6 2 10 6 5 1 3 4 3 2 2 12 3 1 2 3 6 6 8 3 3 10 12 4 4 3 2 2 3 2 2 1 1 2 3 4 4 5 2 2 2 4 6 4 2 1 3 3 1 1 3 1 5 2 4 16 7 5 3 12 9 6 1 5 3 5 4 5 6 4 2 6 6 5 8 7 8 8 11 8 8 5 16 6 2 1 1 3 6 10 1 5 5 5 35 22 6 7 15 47 35 11 96 4 5 1 8 2 2 2 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 10 0 23 100 6 5 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 0 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 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 3 3 2 2 2 4 5 13 9 13 21 30 15 3 2 1 2 1 1 1 1 0 1 1 2 3 3 3 3 3 2 4 6 5 24 61 18 4 5 2 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 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 dd 1H J 14 67 | 75 74 m 2H | 73 72 s 1H | 69 69 m 1H | 69 69 s 1H | 69 68 d 1H J 77 | 52 51 m 1H | 41 41 q 2H J 63 | 39 38 s 2H | 31 30 dd 1H J 50 157 | 29 28 dd 1H J 51 158 | 25 25 d 3H J 7 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)C(C)CN
ir: 6 3 4 3 2 1 2 3 3 4 4 2 3 1 1 2 3 1 4 3 2 7 6 3 3 6 2 3 4 3 2 2 3 4 38 12 11 6 9 19 6 2 3 2 3 6 5 5 18 25 41 54 12 4 6 5 2 1 3 3 11 12 5 8 5 8 14 24 23 6 27 36 34 24 33 17 9 3 8 13 11 16 29 7 4 5 4 4 6 4 9 2 4 12 10 3 1 3 2 3 9 6 5 5 3 10 3 5 1 8 24 5 19 5 1 4 7 6 16 17 53 13 25 16 14 9 9 7 6 19 13 14 42 36 100 23 28 49 28 6 7 6 4 6 4 17 37 40 7 3 3 0 1 2 2 6 1 1 1 1 32 8 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 0 0 1 1 1 1 1 2 1 3 3 2 2 3 3 3 3 2 4 4 5 8 12 23 12 15 22 34 12 3 4 2 2 2 2 1 1 4 6 8 10 54 14 6 7 13 5 1 36 14 4 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 dt 1H J 9 19 | 67 67 dt 1H J 9 20 | 46 45 dt 1H J 8 119 | 44 43 dt 1H J 9 119 | 42 41 dt 4H J 68 134 | 36 36 t 2H J 70 | 33 32 dd 1H J 54 113 | 32 31 dd 1H J 55 114 | 30 29 dtd 1H J 51 71 114 | 28 27 dtd 1H J 51 70 114 | 26 25 qt 1H J 51 73 | 22 21 p 2H J 68 | 19 18 dpd 1H J 18 72 127 | 11 11 d 3H J 73 | 9 8 dd 6H J 30 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccccc2n1-c1nc(Cl)nc(Cl)n1
ir: 2 1 2 4 5 3 4 3 1 1 1 1 1 1 2 2 2 1 2 2 1 3 18 4 3 1 1 2 21 2 2 4 3 2 1 1 1 1 1 1 1 2 9 63 4 2 1 1 3 14 5 7 13 11 2 3 1 2 1 1 1 1 1 2 25 6 3 3 9 7 2 7 6 3 2 4 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 4 1 8 0 2 9 1 0 1 2 1 0 1 9 3 3 2 3 1 0 1 3 7 7 7 3 1 0 2 3 1 30 12 4 0 2 22 63 8 100 38 11 23 16 4 72 10 3 5 1 2 2 22 1 2 1 0 1 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 2 1 1 2 2 2 2 3 5 12 4 8 91 12 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 m 1H | 78 78 m 1H | 75 74 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)CN(C)C)cc1NC(=O)OC(C)(C)C
ir: 4 7 4 2 2 2 6 3 3 5 1 10 7 3 3 2 2 3 3 4 4 2 2 3 4 1 2 2 1 3 3 5 12 7 9 10 16 41 14 13 16 7 6 3 2 1 1 3 5 3 7 4 3 5 7 21 10 2 2 3 2 3 3 10 8 12 13 26 14 2 1 3 1 1 1 1 1 2 5 1 1 1 1 2 2 1 9 11 10 5 4 12 12 5 3 3 1 2 7 5 15 2 2 3 7 8 12 20 2 2 2 1 0 1 1 1 1 3 7 6 1 4 3 1 2 4 3 5 2 7 5 3 2 3 1 0 7 40 4 4 1 2 1 3 2 8 52 27 35 16 6 5 12 19 7 5 53 4 2 1 1 1 1 1 7 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 1 1 1 2 1 0 1 2 1 1 4 11 13 3 7 29 19 5 4 2 2 0 1 1 1 2 1 2 1 1 1 2 1 1 3 3 1 9 8 16 100 14 5 4 1 1 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 92 92 s 1H | 74 73 dd 1H J 22 84 | 72 72 d 1H J 22 | 70 69 d 1H J 84 | 69 69 s 1H | 39 39 s 3H | 35 34 s 2H | 26 26 s 6H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2=NC[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CS(=O)(=O)C1
ir: 10 12 12 8 14 13 29 14 6 3 3 2 1 1 1 2 2 6 3 4 6 5 4 5 6 6 5 4 4 8 17 17 20 21 13 20 7 16 12 18 19 10 22 23 7 5 9 5 2 1 2 1 4 3 12 18 8 35 14 4 3 4 17 13 21 19 54 14 21 20 12 16 10 5 2 2 15 13 4 1 1 3 1 3 5 3 4 6 19 91 25 15 6 13 21 4 11 35 47 8 11 10 54 100 79 14 3 11 8 9 4 3 3 1 1 2 2 2 4 13 3 21 34 17 15 6 14 5 10 32 5 15 12 26 21 8 6 17 35 28 19 3 4 4 10 10 11 13 46 14 41 31 6 8 3 7 3 1 10 8 2 5 5 6 6 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 1 3 3 7 8 19 5 4 6 5 7 7 17 30 27 51 56 8 13 5 4 0 1 2 1 1 2 2 1 1 1 2 2 1 6 9 5 4 33 33 15 25 9 3 3 2 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 84 | 79 78 d 1H J 77 | 78 78 dd 1H J 21 76 | 74 74 m 1H | 73 73 d 2H J 21 | 73 72 t 1H J 22 | 44 43 m 3H | 36 35 dd 2H J 70 134 | 34 33 m 3H | 32 31 dq 1H J 25 160 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1c(Cl)nn2c(N)nnc2c1C(C)C
ir: 4 2 2 2 1 2 4 2 1 1 1 8 6 6 1 3 1 3 3 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 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 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 2 1 1 1 1 2 0 3 2 2 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 10 4 1 1 1 2 1 1 2 6 4 2 2 2 2 1 2 4 57 14 11 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 36 9 1 1 1 1 1 1 1 1 2 0 23 100 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 62 62 s 2H | 34 33 p 1H J 65 | 32 32 dt 1H J 67 135 | 13 13 d 6H J 68 | 12 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)cc1CCCCN1CCOCC1
ir: 2 2 2 7 18 16 6 2 4 3 4 5 4 7 6 18 6 6 12 5 2 5 4 2 5 4 4 2 12 8 2 3 4 5 5 4 6 18 44 13 7 18 39 27 7 8 6 12 15 16 10 39 7 8 4 5 5 29 12 3 42 20 13 10 2 18 8 6 26 31 16 9 5 27 4 5 2 0 2 3 1 3 2 3 6 10 4 6 5 7 23 27 6 12 7 11 10 12 33 35 23 15 24 9 8 6 4 7 4 15 28 100 85 41 27 30 26 24 11 13 7 11 18 17 62 26 9 8 5 9 4 5 6 3 8 12 20 11 3 3 6 2 3 15 7 8 3 9 7 17 25 15 16 18 14 5 5 1 2 6 10 1 15 14 15 5 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 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 0 1 1 1 0 1 1 1 1 1 1 0 0 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 5 16 33 8 11 25 9 8 10 35 34 27 95 48 78 75 37 24 37 19 18 8 4 2 3 3 3 2 2 4 2 1 4 6 17 27 13 5 6 25 53 9 4 2 2 2 1 1 2 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 d 1H J 70 | 93 93 s 1H | 86 85 s 1H | 78 77 s 1H | 72 72 t 1H J 8 | 37 37 m 4H | 33 33 dp 1H J 42 68 | 28 27 td 2H J 9 80 | 26 25 m 6H | 17 16 ttd 2H J 8 68 78 | 16 15 m 2H | 9 8 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(O)c(=O)c2ccc(C#N)cc21
ir: 3 1 2 1 1 3 17 3 8 4 7 20 11 11 13 3 2 1 1 1 1 1 1 10 2 1 2 1 1 1 1 1 1 2 11 24 3 2 1 1 1 1 2 1 13 8 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 5 2 2 6 3 1 2 1 1 1 1 1 2 1 2 1 1 0 6 2 3 2 1 1 2 3 5 1 5 37 12 3 4 5 5 2 5 3 22 5 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 5 2 1 1 1 1 1 1 2 2 1 1 1 1 3 1 2 3 4 1 2 2 6 1 1 1 1 6 0 12 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 3 11 6 8 4 6 2 2 18 100 25 14 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 90 s 1H | 81 81 d 1H J 86 | 77 77 dd 1H J 21 87 | 75 74 d 1H J 22 | 71 71 q 1H J 9 | 38 38 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1CBr
ir: 2 2 1 1 4 1 3 1 0 1 1 3 2 4 2 11 2 1 0 1 1 4 3 3 3 8 4 3 1 5 8 2 1 3 6 8 10 56 72 33 18 7 5 6 2 1 7 2 3 1 1 2 2 6 36 16 7 2 1 2 8 7 11 5 4 4 6 15 15 17 8 6 3 1 2 2 0 1 1 1 2 7 7 3 1 4 7 5 3 1 5 8 11 31 15 6 9 3 3 1 1 2 6 11 9 20 24 7 7 2 2 3 2 2 1 2 2 8 8 12 5 12 5 3 6 7 11 6 19 8 8 2 1 1 1 0 0 1 1 1 2 7 5 3 6 45 26 32 9 6 7 43 17 6 14 19 5 3 1 0 1 2 8 66 4 1 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 1 0 1 1 2 1 4 3 1 2 5 8 2 3 4 2 10 12 22 33 22 41 100 48 12 4 8 1 1 1 3 1 2 2 1 2 2 1 1 1 1 3 2 3 6 22 28 45 16 7 2 2 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 21 78 | 74 74 dt 1H J 9 20 | 71 71 dt 1H J 9 78 | 71 71 s 1H | 45 45 d 2H J 8 | 39 39 d 2H J 9 | 13 13 s 8H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NCC(O)c1cccc(F)c1F
ir: 10 10 9 10 19 8 5 12 5 17 21 27 17 10 11 15 11 5 9 8 14 8 6 5 3 3 2 2 2 3 3 2 7 6 5 5 19 35 7 8 6 14 20 53 49 7 9 8 45 0 9 47 24 4 3 4 3 4 3 7 8 26 7 3 4 4 5 8 3 4 3 6 7 5 3 9 11 5 3 3 2 4 5 6 6 18 36 65 25 12 9 5 6 21 8 9 10 4 4 3 9 6 2 9 5 2 4 10 7 6 7 10 4 6 10 6 8 19 12 19 16 7 15 38 5 4 4 12 6 12 16 14 10 5 15 28 11 6 5 6 44 6 4 4 3 3 5 6 2 2 2 2 2 2 2 3 10 6 5 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 3 3 3 2 2 2 3 4 3 3 4 5 6 12 19 11 35 49 42 5 5 5 4 6 20 10 3 4 4 6 4 5 5 5 7 10 33 100 60 14 8 4 2 4 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 1H | 72 71 m 2H | 49 48 m 2H | 36 36 d 1H J 46 | 32 32 ddd 1H J 40 74 132 | 30 29 ddd 1H J 42 75 134 | 11 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc2c(c(C(F)(F)F)c1)N(C)[C@H]1CCNC[C@@H]21
ir: 4 8 2 3 5 3 3 2 3 3 2 2 2 2 2 3 5 4 2 3 3 2 3 3 3 2 3 3 2 6 5 5 3 6 6 4 5 4 4 5 7 10 4 3 5 3 4 3 4 4 10 5 10 6 11 4 4 3 3 3 3 1 2 3 3 4 4 6 10 4 3 4 6 4 3 3 3 2 2 3 3 2 3 9 3 2 3 3 3 2 2 3 5 19 10 4 3 3 0 26 1 2 3 2 1 2 3 3 3 4 10 4 7 6 8 6 16 21 16 4 5 4 4 4 4 3 7 7 8 7 6 11 6 5 10 3 2 3 2 2 2 4 19 4 4 3 3 2 2 6 5 1 2 3 2 1 3 4 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 4 3 2 4 7 3 5 14 4 4 3 3 2 2 2 2 2 1 2 4 3 3 4 8 4 14 60 100 6 7 3 6 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 dh 1H J 9 19 | 70 69 m 1H | 37 36 m 1H | 33 32 ddd 1H J 38 53 126 | 30 30 m 4H | 30 29 m 2H | 27 26 tt 1H J 42 53 | 26 25 dt 2H J 10 71 | 23 23 tt 1H J 7 37 | 21 20 dddd 1H J 27 51 62 126 | 20 19 dh 1H J 70 139 | 19 18 dddd 1H J 27 35 51 126 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC[C@H](C[C@@H](C(=O)O)c2cccc(C(F)(F)F)c2)C1
ir: 2 2 2 2 3 2 2 3 3 2 3 3 11 3 2 2 3 3 3 3 6 5 19 14 6 2 2 2 2 2 3 3 5 3 2 3 2 2 2 3 3 2 2 2 2 2 2 14 4 5 2 2 2 2 2 2 2 3 2 2 2 3 2 5 3 2 3 3 2 2 2 2 2 2 3 3 2 1 5 75 8 6 2 1 3 3 2 2 3 3 3 6 10 3 3 2 2 2 5 4 16 5 2 2 3 3 2 2 3 3 3 3 4 6 3 3 4 4 7 4 5 3 4 3 3 4 3 2 3 2 2 2 2 2 2 2 2 2 2 3 3 6 4 4 21 11 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 2 3 3 2 6 5 4 11 9 4 2 1 2 3 2 0 17 100 19 4 2 1 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; 1HNMR: 77 77 t 1H J 21 | 76 75 dt 1H J 17 104 | 75 75 dd 1H J 74 104 | 73 72 dt 1H J 21 80 | 36 36 tt 1H J 8 82 | 26 24 m 3H | 24 23 ddd 1H J 54 73 146 | 23 22 ddd 1H J 9 64 151 | 22 21 dt 1H J 82 141 | 20 19 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O
ir: 1 1 1 2 3 2 0 5 4 3 1 3 8 5 28 3 3 5 7 4 5 9 16 18 18 11 43 27 10 9 4 5 5 15 9 5 3 4 7 9 7 9 4 3 8 17 39 69 8 6 15 5 5 6 11 12 6 2 2 5 3 1 2 7 2 41 12 10 21 17 3 2 7 3 1 3 1 6 4 12 14 11 18 25 23 15 4 8 3 2 3 4 2 3 3 9 8 7 2 1 1 1 3 1 0 1 1 1 1 2 5 3 0 2 3 2 1 1 2 3 4 3 2 3 4 6 6 6 4 5 3 11 12 1 0 1 2 1 3 2 29 12 11 47 4 8 13 22 13 11 8 17 11 8 14 67 10 0 16 7 3 38 4 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 3 2 2 2 9 10 9 8 25 25 7 3 4 2 2 4 13 100 67 11 6 2 1 2 2 1 1 2 2 2 1 6 22 24 10 5 1 3 1 1 1 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 dd 1H J 22 44 | 81 80 m 2H | 74 73 ddt 1H J 9 47 97 | 72 72 dd 1H J 44 81 | 69 69 d 1H J 89 | 69 68 d 1H J 23 | 68 67 m 2H | 67 66 dd 1H J 22 95 | 60 59 s 2H | 49 48 q 1H J 63 | 46 45 ddd 2H J 7 35 66 | 15 15 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCNC(=O)c1ccccc1P(c1ccccc1)c1ccccc1
ir: 1 1 1 3 4 6 4 5 2 1 2 2 4 1 1 1 1 1 3 8 2 1 2 1 2 3 2 2 4 27 9 14 10 5 6 2 3 5 3 12 94 25 4 8 3 2 1 1 1 1 1 1 1 1 1 4 6 1 2 1 3 2 1 2 2 1 2 4 6 1 5 4 1 2 5 7 5 7 8 1 1 1 1 2 1 6 1 2 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 4 4 2 3 2 7 10 2 1 1 1 1 0 1 1 1 0 1 2 2 10 14 9 10 3 2 2 6 70 20 29 20 23 9 3 1 2 29 3 1 1 2 1 1 1 6 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 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 5 5 7 8 100 52 9 2 2 2 1 1 1 1 1 1 1 1 1 1 3 7 1 4 1 1 1 4 7 27 40 5 3 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 ddd 1H J 16 42 77 | 78 77 t 1H J 36 | 76 76 dd 1H J 15 77 | 76 75 m 1H | 74 74 td 1H J 15 74 | 74 73 m 2H | 73 73 m 4H | 71 71 m 4H | 43 43 dd 2H J 25 36 | 23 23 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)c2ccc(NCCBr)cc2C1=O
ir: 9 19 27 23 8 7 32 31 9 20 16 12 3 15 11 10 8 5 6 4 2 2 5 1 2 3 5 5 2 3 4 2 2 2 3 1 2 5 7 69 50 12 7 2 2 2 1 1 3 6 2 0 1 5 7 10 8 3 2 1 2 2 2 1 2 2 3 18 15 5 3 3 3 5 3 1 2 2 1 1 2 3 4 1 2 2 1 1 2 2 3 2 2 3 2 1 2 2 1 4 6 2 1 2 9 25 7 3 3 2 1 1 3 4 4 6 6 3 14 31 17 22 8 6 9 4 4 9 9 2 0 4 5 3 39 4 1 3 3 2 6 11 27 55 21 19 4 3 3 2 7 6 8 6 80 12 5 0 1 2 2 1 2 100 10 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 4 5 9 9 7 24 15 6 4 3 2 2 3 1 2 2 1 1 2 2 1 1 2 3 2 4 9 16 30 55 32 31 29 5 4 3 1 1 3 4 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 0 1 1; 1HNMR: 78 78 d 1H J 79 | 74 73 d 1H J 22 | 69 69 dd 1H J 22 79 | 54 53 t 1H J 49 | 37 37 dt 2H J 33 49 | 36 36 t 2H J 34 | 31 31 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ICCOC1CCCC1
ir: 24 12 1 21 30 19 6 27 21 11 1 16 22 9 1 15 20 10 3 18 22 10 6 17 22 6 5 21 28 65 9 30 22 7 7 21 25 5 7 22 19 8 9 22 21 10 21 44 19 8 15 29 30 16 31 29 18 6 17 31 17 22 20 31 16 9 24 71 26 4 25 66 24 48 50 35 19 17 18 22 8 4 16 18 9 6 17 17 7 8 18 19 12 12 26 30 19 9 24 16 3 10 23 15 5 16 44 36 14 20 35 32 11 33 59 30 17 18 31 29 10 24 57 31 13 26 31 28 29 28 25 10 3 16 21 8 4 16 18 6 4 16 17 5 5 17 16 4 7 18 15 3 7 19 15 3 8 19 13 2 8 20 12 1 9 20 12 0 10 21 11 0 11 21 10 1 11 20 9 2 12 19 9 2 13 19 8 3 14 18 8 4 15 17 6 5 15 16 6 5 16 15 5 6 17 15 5 7 17 14 4 8 18 13 3 8 18 12 3 9 19 12 2 10 20 11 1 10 20 10 1 11 20 10 2 12 19 9 3 12 18 8 3 13 17 8 4 14 17 7 5 15 16 6 5 16 15 7 6 16 15 5 7 17 15 6 9 19 15 5 12 27 29 21 41 36 50 29 26 27 27 49 100 40 30 19 61 27 14 4 15 20 10 3 13 19 9 3 13 17 8 4 13 17 8 5 14 16 7 6 14 15 7 6 15 15 6 7 15 14 5 7 16 13 5 8 16 13 4 9 17 12 4 9 18 12 3 10 18 11 3 10 19 10 3 11 18 10 4 12 17 9 4 12 17 9 5 13 16 8 5 13 16 8 6 14 15 7 6 14 14 7 7 15 14 6 8 15 13 6 8 16 13 5 9 16 12 5 9 16 12 4 10 17 11 4 10 17 11 4; 1HNMR: 40 39 ddt 1H J 23 51 71 | 38 38 t 2H J 45 | 34 33 t 2H J 45 | 18 17 m 4H | 17 16 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.
COCCOCCn1c(C)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2
ir: 11 15 10 9 11 4 12 7 20 9 6 6 8 4 8 4 2 4 6 3 4 8 5 5 15 25 22 27 3 6 4 3 3 32 16 1 2 3 3 9 12 22 8 9 10 12 5 3 9 16 8 7 4 8 6 2 18 41 17 8 8 16 3 7 5 21 14 7 15 13 12 6 9 7 4 4 3 6 7 3 2 4 1 1 2 2 2 2 3 2 1 1 3 3 4 3 3 4 2 3 7 4 2 2 3 6 6 24 36 29 22 17 43 10 20 13 11 15 6 9 8 8 5 6 5 9 9 11 10 3 3 6 11 4 2 4 6 10 3 4 4 17 27 100 30 28 39 39 7 7 2 3 2 1 1 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 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 3 2 3 3 4 5 7 6 9 6 7 4 7 5 15 19 16 8 4 4 3 2 1 2 3 1 1 2 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 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 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 42 42 t 2H J 59 | 38 37 t 2H J 60 | 37 36 t 2H J 46 | 36 35 m 2H | 34 34 s 2H | 22 21 m 10H | 21 20 d 6H J 44 | 19 18 dt 3H J 58 128 | 16 16 dt 3H J 58 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(C)c(N)c(C)c1
ir: 44 20 12 13 6 10 9 6 5 4 6 4 4 6 8 5 4 6 6 8 4 16 20 19 4 8 12 4 2 5 5 3 3 6 5 6 6 8 20 67 30 10 6 5 4 5 5 2 3 6 4 2 3 5 4 2 3 6 4 3 6 5 3 2 6 7 4 4 5 8 5 2 4 5 3 2 4 5 2 2 4 4 3 2 5 25 11 3 4 4 2 2 4 4 1 2 4 3 2 3 10 7 3 3 5 4 3 4 6 10 4 3 5 5 2 4 5 3 1 4 5 5 3 5 8 10 15 5 6 3 2 4 5 2 2 4 5 5 6 5 4 4 4 57 74 44 35 50 5 5 4 4 7 5 6 26 36 58 41 11 4 2 4 18 10 3 3 4 3 1 3 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 5 3 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 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 4 4 1 2 4 3 2 2 4 4 3 3 5 3 3 3 4 3 1 3 5 7 5 8 12 15 11 9 4 3 3 3 4 3 3 4 4 3 2 3 5 4 4 10 89 85 0 7 16 40 15 40 17 8 5 18 100 91 17 3 3 3 3 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 3 3 2 3 3 3 3 3 4 4 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 1 2 3 3 2 2 3 2 1 2 3; 1HNMR: 76 76 s 2H | 65 65 q 1H J 50 | 36 36 s 2H | 30 30 d 3H J 51 | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Br)s1
ir: 2 3 5 17 10 5 4 5 8 6 4 6 3 2 2 2 3 5 5 4 6 8 37 14 4 3 2 16 3 2 2 3 3 3 10 3 3 5 8 14 15 48 73 18 8 16 63 9 7 14 9 5 3 5 3 3 3 3 8 33 15 7 3 4 2 2 2 3 2 2 5 3 3 2 2 3 5 9 7 5 10 26 5 8 7 8 4 3 3 3 5 3 2 2 3 3 6 17 7 4 4 5 7 18 6 4 0 19 3 7 7 6 4 7 11 8 5 4 3 4 3 4 6 5 3 4 3 12 14 36 13 3 3 3 3 3 4 2 1 4 6 0 2 100 4 9 36 17 4 9 7 1 4 6 3 2 4 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 5 3 4 5 5 7 6 2 16 5 5 4 5 22 9 3 2 2 2 3 2 2 2 2 2 3 5 3 4 3 5 3 5 6 6 25 72 25 8 6 2 2 4 3 2 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 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 76 75 d 1H J 68 | 72 71 d 1H J 70 | 69 68 d 1H J 82 | 41 41 dddd 1H J 7 35 46 82 | 31 30 m 3H | 30 29 ddd 2H J 48 74 119 | 28 27 dd 1H J 35 117 | 21 20 m 1H | 19 18 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.
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)OSc1nc2ccccc2s1)c1csc(N)n1
ir: 20 23 7 13 14 26 11 11 24 6 11 9 5 17 21 17 9 11 7 8 2 8 4 10 3 6 5 3 4 4 5 5 2 4 4 2 5 2 4 2 6 21 61 100 12 8 3 3 4 5 4 4 5 3 3 2 2 8 4 3 5 7 3 4 4 5 4 5 9 3 2 0 3 3 4 11 4 4 5 14 23 12 25 21 14 8 11 3 4 1 12 9 5 6 3 5 8 2 3 2 4 4 11 18 7 14 15 4 6 2 3 10 1 3 1 4 4 11 7 10 4 9 8 3 3 7 20 33 8 13 17 13 11 11 9 1 0 19 2 2 3 9 7 7 14 17 5 9 22 12 24 55 65 42 11 3 2 3 2 8 6 2 4 3 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 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 2 4 2 3 2 1 1 1 1 1 2 2 5 5 12 21 21 21 75 38 39 7 1 2 2 2 1 2 2 2 0 2 3 2 0 7 9 95 19 11 7 2 3 1 1 4 6 10 54 54 6 3 4 2 2 3 3 4 3 6 7 5 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 79 dd 1H J 15 75 | 79 78 dd 1H J 14 71 | 77 76 td 1H J 15 73 | 76 75 td 1H J 13 75 | 68 68 s 1H | 66 66 s 2H | 15 15 s 6H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(F)(F)F)C1
ir: 4 3 1 6 19 5 5 5 8 13 7 7 2 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 2 2 1 1 1 3 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 3 2 5 3 3 1 1 2 1 1 4 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 2 2 3 2 3 3 4 2 1 5 23 3 3 9 7 10 15 27 26 6 3 5 9 16 9 4 2 4 5 4 6 2 4 3 3 4 4 9 8 9 6 51 30 1 0 3 2 1 0 2 2 0 0 2 2 0 0 4 9 100 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 2 3 3 3 5 2 2 3 6 2 4 8 33 5 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 1 1; 1HNMR: 39 38 m 1H | 38 37 ddd 1H J 78 96 119 | 37 36 m 2H | 27 26 m 1H | 22 21 m 1H | 20 18 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(CS)cc1
ir: 2 1 1 2 3 3 3 3 3 2 3 3 3 4 5 3 4 3 4 2 3 2 4 4 10 6 6 6 8 4 3 3 1 3 1 3 11 7 9 4 8 8 21 14 7 2 4 5 4 14 3 5 4 3 12 41 12 5 4 3 2 5 5 7 5 3 6 11 12 8 10 9 11 7 7 3 7 5 7 2 3 3 2 3 3 8 5 4 11 3 4 3 1 1 1 4 6 3 2 2 0 1 1 1 0 1 2 1 1 2 7 4 1 1 2 1 1 4 4 4 3 2 3 2 3 3 10 1 1 1 2 1 1 2 3 3 3 7 12 4 2 3 3 1 1 3 8 24 31 6 3 2 10 1 2 2 1 1 1 0 1 23 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 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 2 2 6 4 1 2 5 8 6 8 11 7 15 28 100 20 18 6 8 7 4 7 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 dt 2H J 9 83 | 68 68 m 2H | 61 60 ddt 1H J 56 114 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 46 45 dt 2H J 13 55 | 38 37 dt 2H J 9 68 | 17 16 t 1H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cccc(C#Cc2cccc(N)c2)c1
ir: 8 14 18 8 4 6 3 5 4 8 11 11 2 3 2 1 1 3 5 5 2 1 1 3 2 2 2 2 8 14 12 8 8 16 6 6 4 20 5 1 3 1 2 3 14 22 15 31 19 5 11 4 1 1 1 4 3 1 2 1 2 1 2 1 2 2 5 3 18 4 1 0 0 1 2 1 2 4 3 5 6 21 16 5 1 0 1 2 9 1 1 1 2 8 13 1 2 2 7 3 3 4 11 8 1 3 11 2 1 4 3 1 1 1 5 2 1 1 2 2 1 3 1 1 2 1 3 6 4 6 6 5 2 1 1 1 1 1 1 2 4 32 4 9 84 9 3 1 3 17 15 3 13 39 21 18 13 25 8 4 5 44 26 36 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 2 3 3 3 4 6 14 2 16 42 30 4 2 5 2 2 2 3 1 0 2 1 1 0 1 2 2 19 33 4 3 2 7 95 35 11 3 4 2 37 100 4 5 2 0 0 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 2 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; 1HNMR: 78 77 t 1H J 22 | 75 75 ddd 1H J 11 20 70 | 73 73 t 1H J 68 | 73 72 m 2H | 71 71 ddd 1H J 13 22 70 | 70 69 t 1H J 22 | 67 67 ddd 1H J 12 22 70 | 64 64 s 1H | 40 40 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.
O=C1CCN2CCCCc3c(O)ccc1c32
ir: 2 2 2 3 2 2 2 2 5 4 6 3 5 3 5 5 4 6 2 3 6 3 3 3 3 3 5 3 3 2 3 3 4 1 3 6 3 1 1 2 2 2 3 6 11 10 2 2 2 1 4 5 5 5 7 10 6 3 3 3 2 2 3 6 2 2 4 6 3 1 2 2 2 2 5 4 2 4 3 3 2 2 2 2 6 5 20 22 10 2 6 5 2 5 9 3 2 4 6 3 1 2 3 4 1 2 3 2 2 3 5 3 2 3 2 4 2 3 4 4 4 6 7 4 2 3 2 2 1 2 2 2 2 2 4 2 1 2 2 1 3 4 3 2 1 4 10 2 3 5 3 1 1 3 3 17 16 1 2 5 5 13 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 3 3 2 2 2 2 2 3 2 2 3 3 3 2 2 2 2 2 5 7 7 10 12 8 5 2 1 3 6 3 100 41 7 2 4 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 d 1H J 93 | 66 65 s 1H | 65 65 d 1H J 95 | 38 38 m 2H | 34 33 t 2H J 61 | 31 30 m 2H | 29 28 t 2H J 89 | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2ccccc2C(C#N)(c2ccc3sccc3c2)C1
ir: 4 9 6 6 5 15 10 5 4 3 4 5 3 1 5 1 2 1 1 1 2 4 5 3 2 4 16 10 3 9 14 17 2 3 19 4 1 2 2 1 1 12 100 6 5 4 13 3 3 1 5 6 14 19 30 5 2 3 2 1 1 0 1 3 8 2 6 13 4 3 6 5 2 5 6 7 11 1 3 3 21 3 12 3 5 7 5 2 6 19 12 10 3 1 3 3 6 17 3 8 7 4 5 7 1 3 1 1 0 1 2 1 4 6 2 2 2 10 5 2 2 2 1 1 2 2 7 13 5 4 7 26 4 3 4 1 1 18 34 19 3 1 9 2 2 1 1 2 3 25 4 1 1 2 2 4 1 1 1 2 1 1 1 13 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 2 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 3 2 1 2 2 2 2 2 2 5 6 17 78 15 35 27 10 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 79 78 t 1H J 22 | 76 76 d 1H J 72 | 75 74 m 2H | 74 73 m 2H | 73 72 dt 2H J 13 73 | 72 71 td 1H J 14 71 | 39 39 dd 1H J 9 134 | 38 37 d 1H J 121 | 37 37 dd 1H J 8 134 | 35 35 d 1H J 121 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nc(Cl)nc(O)c2cc1OC
ir: 4 4 1 2 1 3 11 5 3 3 19 25 13 3 6 3 1 2 1 2 3 3 4 6 26 36 24 5 12 5 4 10 7 5 6 2 1 1 1 2 2 1 1 1 2 2 4 7 29 33 5 2 1 1 1 1 2 3 2 1 3 1 2 7 8 2 2 7 28 30 12 51 44 12 14 8 5 4 5 6 5 4 1 0 1 1 0 1 1 1 1 1 1 2 1 1 1 0 1 3 15 4 0 1 2 1 0 0 1 0 1 1 5 14 3 1 1 1 1 1 3 11 9 8 3 2 1 3 1 1 1 1 0 1 1 0 0 2 4 19 15 4 7 53 67 3 1 2 1 0 0 1 2 41 39 5 6 0 0 1 1 0 0 1 1 1 2 34 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 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 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 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 2 2 2 4 13 17 3 2 1 1 1 1 1 2 100 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 1H | 72 72 s 1H | 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.
CCCC(=O)C=C(C)N
ir: 8 8 7 7 7 3 6 6 4 8 9 4 2 3 4 4 2 2 2 3 4 5 5 2 5 9 7 3 5 13 25 18 11 22 15 21 8 5 10 15 15 19 10 18 8 15 7 4 5 2 2 2 4 2 5 2 3 4 5 2 3 2 2 1 2 3 4 2 3 4 2 4 2 3 3 5 8 29 36 22 11 11 7 3 4 3 2 1 1 1 2 1 2 2 2 1 2 1 2 1 1 1 1 1 2 2 1 1 2 2 4 5 4 1 1 1 2 1 2 4 5 2 2 1 1 3 5 3 4 2 0 1 1 1 2 1 1 2 1 1 2 2 4 17 11 6 2 5 8 3 13 28 57 25 74 23 21 21 36 49 5 6 5 2 1 2 1 0 2 2 1 0 1 1 0 0 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 3 1 1 2 3 2 2 3 2 9 9 6 9 5 3 1 3 2 1 1 2 2 1 1 1 2 2 2 3 4 4 15 35 10 4 2 2 1 2 2 1 3 12 66 100 40 5 2 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 48 47 h 1H J 13 | 25 24 td 2H J 9 71 | 21 21 d 3H J 13 | 17 16 h 2H J 73 | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(Br)cc(C)c1NC(=O)NCCCl
ir: 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 15 5 18 10 6 2 1 1 2 1 1 4 3 2 1 4 3 1 4 16 10 18 14 5 2 2 2 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 3 2 2 4 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 3 4 1 1 1 4 10 2 2 3 3 2 1 1 1 0 4 2 4 2 1 1 2 4 4 2 2 3 2 2 1 1 1 2 2 2 1 1 0 1 1 1 0 0 1 2 1 1 1 2 2 3 13 22 100 4 2 2 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 5 6 3 10 13 6 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 0 2 3 10 5 15 33 14 19 5 2 1 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 84 84 t 1H J 48 | 73 72 d 1H J 22 | 72 72 m 2H | 37 36 t 2H J 21 | 36 36 dt 2H J 22 45 | 26 26 qd 2H J 8 71 | 23 23 s 2H | 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.
CSc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1
ir: 20 8 13 9 2 3 4 3 3 3 4 3 6 2 0 3 3 3 6 5 17 8 2 2 1 2 4 9 2 16 22 60 21 9 11 4 2 30 25 26 4 6 28 61 20 4 5 3 3 7 3 2 3 1 3 2 2 5 8 9 5 7 4 1 2 7 6 5 6 4 2 2 3 0 18 12 13 4 17 4 2 5 4 2 2 1 1 3 3 3 2 3 2 0 2 3 7 5 1 3 4 9 4 3 13 14 3 4 13 8 7 16 5 11 2 12 9 13 27 19 5 17 41 19 21 18 72 11 6 11 10 11 3 7 15 13 14 23 13 3 3 3 4 3 26 100 97 77 16 77 17 3 5 5 5 37 46 8 1 1 6 7 1 1 0 1 1 0 0 1 0 1 0 1 1 0 1 1 0 0 0 1 9 2 1 0 1 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 3 1 3 3 4 3 3 5 4 8 6 10 5 6 22 30 22 61 20 12 7 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 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 0 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 82 d 1H J 46 | 81 81 s 2H | 81 80 dd 1H J 16 74 | 78 78 dd 1H J 14 82 | 75 74 ddd 1H J 16 71 84 | 74 73 m 2H | 50 50 dddd 1H J 26 43 54 70 | 42 40 m 2H | 39 38 dd 1H J 53 119 | 26 26 s 2H | 22 21 m 1H | 20 19 m 2H | 17 16 dddd 1H J 54 69 82 123 | 12 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(Cc1cccc(C)n1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccc(C(C)C)cn1
ir: 5 5 8 7 8 17 6 2 4 2 4 4 4 2 7 11 1 4 6 5 4 10 4 1 2 4 7 5 9 3 4 13 11 16 11 2 25 18 4 1 2 3 6 4 8 14 100 12 6 3 11 3 5 11 45 8 6 1 4 7 3 3 10 5 5 14 8 6 2 18 25 6 8 2 1 3 2 3 6 11 1 1 9 39 21 14 20 7 13 5 19 5 3 3 30 2 4 12 3 2 2 2 1 2 1 1 9 3 1 2 4 3 1 2 4 4 4 4 4 2 3 4 4 6 4 2 3 5 1 9 2 2 3 11 10 5 25 75 3 13 14 2 1 2 5 2 7 34 14 11 11 7 10 2 3 15 4 2 1 5 11 2 3 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 1 1 1 1 1 2 1 2 1 1 2 2 3 3 8 16 8 19 39 30 7 5 3 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 dd 1H J 7 19 | 82 82 d 1H J 19 | 80 79 d 1H J 94 | 78 77 m 1H | 75 75 dd 1H J 20 82 | 75 74 t 1H J 77 | 71 71 dq 1H J 9 77 | 70 70 ddd 1H J 9 16 83 | 68 67 d 1H J 82 | 45 44 d 2H J 9 | 43 43 s 2H | 40 39 s 2H | 35 34 q 2H J 75 | 31 30 tt 1H J 67 77 | 25 25 d 3H J 7 | 14 13 d 6H J 70 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2c(N)cncc2C1
ir: 11 11 0 9 19 22 8 7 4 11 15 16 7 6 4 16 22 8 12 17 8 6 4 2 2 3 2 3 3 2 1 2 4 2 2 1 2 2 1 3 1 1 1 6 2 5 2 1 1 2 1 2 1 1 2 3 2 0 1 2 1 1 2 1 1 2 1 1 2 3 1 1 1 2 1 1 1 1 0 1 1 3 15 20 2 2 1 2 2 4 3 1 1 0 1 1 0 1 2 1 2 1 2 2 1 1 1 1 0 1 2 4 11 7 3 2 2 5 15 13 14 10 14 6 2 1 3 3 4 6 3 6 2 1 1 2 8 5 2 1 1 0 0 1 1 1 1 3 4 2 24 40 13 86 10 2 2 11 20 4 8 33 3 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 3 1 0 2 2 1 1 1 3 3 2 3 12 14 6 2 1 2 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 10 56 5 1 1 1 1 0 0 1 2 4 29 100 14 4 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 82 81 dt 1H J 9 16 | 80 79 d 1H J 18 | 51 51 s 2H | 45 45 d 2H J 9 | 37 36 dd 2H J 49 57 | 30 29 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCCCCCCOCc1cccc(F)c1
ir: 4 4 2 8 5 3 1 4 5 2 1 3 3 2 2 2 2 1 1 2 2 1 1 4 2 1 1 2 4 1 2 3 3 1 2 5 6 3 4 4 5 2 3 8 7 34 100 34 7 1 6 3 3 2 4 3 2 0 3 3 3 4 4 5 5 13 44 28 37 12 4 5 8 8 4 7 2 2 6 13 7 5 11 12 23 53 70 45 82 76 26 13 20 7 4 6 5 4 6 5 2 2 6 3 5 4 6 11 7 6 4 6 2 4 1 6 4 4 11 5 2 4 3 4 4 4 3 2 4 5 3 2 1 1 3 2 1 1 2 8 9 5 2 1 1 1 2 1 0 1 1 5 2 3 18 6 2 1 1 3 5 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 3 5 3 12 3 2 5 6 3 5 6 12 11 4 27 50 30 13 6 5 5 3 7 12 7 7 3 3 1 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 td 1H J 50 77 | 72 72 ddq 1H J 11 21 75 | 71 70 m 2H | 45 44 t 2H J 9 | 36 35 q 2H J 58 | 35 35 t 2H J 60 | 27 27 t 1H J 59 | 16 15 qt 4H J 59 79 | 14 12 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
ir: 9 8 19 10 14 13 14 5 7 7 6 8 4 7 6 5 4 8 4 2 3 4 12 6 10 9 6 4 8 16 17 8 6 9 18 12 47 55 11 17 32 37 35 5 9 10 6 4 7 6 7 4 4 4 9 2 3 14 4 2 4 5 8 8 9 9 9 10 5 12 12 34 13 11 12 3 8 8 5 4 4 5 3 4 3 3 3 2 4 6 4 7 4 7 15 6 24 37 15 8 10 6 5 9 25 10 11 100 56 12 21 21 14 9 16 30 13 30 0 23 56 53 60 61 70 31 15 24 13 16 12 6 7 4 5 5 12 8 17 10 4 3 3 5 4 5 31 29 16 6 9 8 4 2 3 3 4 2 2 3 2 2 2 3 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 2 2 2 3 3 2 2 3 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 3 2 3 3 3 3 4 9 13 13 6 20 12 12 13 10 11 15 14 12 21 23 76 53 82 25 56 91 36 12 12 8 4 3 4 4 3 3 3 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 75 75 d 1H J 8 | 55 53 m 2H | 40 40 d 3H J 7 | 39 38 t 2H J 66 | 35 35 s 2H | 21 20 dtdd 2H J 11 21 63 87 | 19 18 m 2H | 17 16 ddt 3H J 10 19 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)c1noc(C)c1COc1ccc(C(=O)NC(C)C)cn1
ir: 1 1 2 6 3 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 6 11 7 10 3 3 2 2 4 1 1 1 1 1 1 1 5 3 5 24 33 21 3 1 2 1 1 0 2 2 1 2 6 15 13 6 3 3 1 2 4 1 1 2 1 2 1 1 6 2 9 2 2 2 6 3 1 2 2 2 1 1 1 1 1 1 2 3 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 7 10 2 1 8 6 3 2 2 5 5 3 2 2 13 2 3 7 7 3 3 3 1 1 2 3 2 3 26 9 2 1 1 2 24 27 46 24 1 4 39 100 10 4 9 19 6 2 0 1 2 2 8 26 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 2 4 2 1 1 2 1 2 1 2 3 3 2 3 9 12 1 12 11 28 4 4 2 2 1 1 1 1 1 1 1 1 3 4 2 2 2 2 3 5 4 6 23 23 8 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; 1HNMR: 85 85 d 1H J 19 | 80 80 dd 1H J 19 81 | 72 71 d 1H J 79 | 70 70 d 1H J 82 | 54 54 d 2H J 51 | 41 40 dp 1H J 57 79 | 30 29 h 1H J 66 | 24 24 s 2H | 19 18 dtd 1H J 64 72 145 | 16 14 m 2H | 14 13 dh 1H J 72 126 | 13 12 d 3H J 67 | 12 12 d 6H J 57 | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCCN1C(=O)c1ccc(OCC2CC2)c(Cl)n1
ir: 3 4 1 2 4 9 9 7 3 5 4 3 2 2 3 4 5 2 2 2 2 7 1 3 3 2 3 3 6 5 2 2 4 9 20 86 22 9 14 15 14 26 21 5 7 1 3 7 2 1 2 5 4 3 30 15 7 4 6 2 1 2 2 14 7 9 5 5 3 12 5 4 2 1 2 2 1 1 2 2 2 1 3 8 16 22 32 19 3 6 5 4 4 6 8 3 4 3 2 3 3 3 2 16 8 10 3 3 6 7 10 3 2 3 5 12 3 11 5 8 8 5 11 5 1 2 6 4 12 100 11 21 33 13 5 5 16 9 7 2 2 4 8 7 3 9 8 5 18 21 9 28 11 3 3 1 1 3 7 7 2 3 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 1 1 1 0 1 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 0 1 2 2 1 2 3 3 2 3 7 5 2 3 3 7 20 9 27 8 10 19 33 24 16 10 9 4 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 d 1H J 86 | 73 73 d 1H J 86 | 41 41 d 2H J 45 | 37 36 m 2H | 19 18 m 4H | 14 13 tt 1H J 45 62 | 13 13 s 5H | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(OC)C(=O)C(Cc2cccc(CCC(=O)NC(C)C)c2)=C(C)C1=O
ir: 3 1 2 4 5 6 6 2 1 2 3 2 1 2 1 1 2 3 3 4 2 1 1 2 3 7 7 1 1 4 6 2 16 15 2 4 8 9 8 3 4 1 3 20 13 6 2 12 6 4 3 5 3 4 4 4 4 3 3 1 2 4 2 2 2 3 3 2 3 4 5 2 1 1 4 4 2 2 4 4 3 3 4 3 3 1 2 9 5 3 5 3 2 1 1 2 6 6 3 2 4 1 1 1 1 1 2 2 2 1 1 1 1 3 5 5 3 9 3 11 10 6 4 5 2 4 7 7 4 4 1 1 1 2 2 1 1 1 1 2 9 3 2 5 19 5 100 16 4 3 2 1 1 2 1 6 1 1 1 0 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 3 2 3 2 3 2 7 3 13 14 3 6 61 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 11 25 13 18 4 4 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 m 3H | 70 69 tt 1H J 11 20 | 64 64 d 1H J 81 | 39 39 s 5H | 39 38 dp 1H J 58 79 | 37 37 h 2H J 9 | 28 27 tq 2H J 9 86 | 26 25 td 2H J 7 86 | 22 22 t 3H J 10 | 13 12 d 6H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
ir: 2 1 2 2 3 2 4 3 2 7 12 4 2 2 2 2 1 1 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 5 4 1 1 1 1 1 1 2 3 2 2 2 3 1 1 1 1 3 2 3 5 2 2 1 2 2 3 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 2 3 7 6 4 2 3 3 3 2 1 1 1 2 2 2 3 2 1 1 1 1 2 2 2 4 3 1 2 1 1 1 2 2 3 2 2 3 2 1 1 2 1 1 1 1 2 2 2 2 4 4 17 1 1 1 1 1 3 1 2 3 10 3 13 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 4 6 11 11 8 3 2 0 6 100 5 4 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 14 81 | 73 72 td 1H J 13 71 | 71 71 ddd 1H J 11 71 82 | 69 69 dd 1H J 11 71 | 68 67 d 2H J 26 | 49 49 s 1H | 38 38 s 3H | 12 12 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)C1=C(O)CC(c2c(C)cc(C)c(C#N)c2C)CC1=O
ir: 1 1 2 1 2 6 4 2 1 2 3 6 3 2 2 4 5 3 4 6 5 2 2 2 3 6 2 2 1 1 1 1 1 2 2 3 3 4 15 17 7 10 9 5 26 10 4 3 7 9 7 7 4 4 2 3 6 4 7 27 16 6 3 4 2 3 3 6 4 3 6 7 5 4 3 3 2 2 1 0 1 1 2 2 2 2 1 1 7 5 3 5 2 1 1 1 3 2 2 3 2 5 4 14 23 31 18 11 5 3 2 2 4 2 2 3 3 3 3 2 5 4 3 6 5 3 2 2 3 3 1 3 3 4 7 5 3 3 3 8 7 3 2 2 3 1 15 17 3 1 2 2 2 1 1 2 3 100 43 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 3 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 1 2 2 5 5 3 2 3 3 4 4 15 5 16 7 11 9 30 91 80 26 18 9 3 2 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 71 70 d 1H J 9 | 34 33 p 1H J 71 | 32 31 dd 1H J 71 157 | 30 29 t 2H J 76 | 29 28 ddd 2H J 71 155 337 | 27 26 dd 1H J 71 154 | 23 23 d 5H J 169 | 22 22 s 3H | 17 16 h 2H J 74 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C#CCO)cc(C=O)c1
ir: 2 1 1 0 0 1 1 1 0 1 0 1 0 0 2 1 1 1 1 0 0 0 0 0 0 0 0 1 6 1 0 1 1 1 0 0 0 1 1 1 1 2 1 1 1 1 1 0 2 1 1 1 1 1 1 2 9 8 6 22 3 1 1 2 1 1 2 3 6 5 3 2 5 5 5 2 2 2 1 2 1 2 4 8 5 13 33 6 3 1 1 1 1 1 15 2 3 2 20 1 0 0 1 1 10 1 2 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 22 3 16 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 11 1 1 1 7 1 0 1 1 1 0 12 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 0 0 0 0 0 0 0 0 0 0 0 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 3 0 0 1 1 2 1 5 2 2 2 2 1 2 2 3 19 30 3 1 2 4 1 6 7 100 9 3 9 1 1 0 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 78 78 t 1H J 22 | 77 76 m 1H | 73 73 m 1H | 45 45 d 2H J 60 | 26 26 t 1H J 61 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(=O)NC2CCCC(Nc3ncnc4nc[nH]c34)C2)cc1
ir: 0 1 1 2 2 2 1 2 6 4 3 3 4 4 4 3 6 2 4 1 5 7 5 9 8 4 9 7 1 3 5 3 5 7 4 3 3 3 1 2 16 82 5 14 10 6 3 1 2 2 3 2 1 3 2 3 6 3 1 0 1 2 1 2 1 2 0 0 1 2 1 0 1 4 2 1 1 2 1 2 1 3 1 1 2 1 3 2 1 1 1 1 1 1 6 2 2 1 2 1 2 3 27 3 2 1 4 3 3 4 6 3 6 5 3 3 6 6 2 3 2 1 2 2 2 5 2 4 6 2 2 4 3 2 4 1 2 3 4 24 37 26 13 100 8 35 9 5 2 2 5 10 5 2 12 3 2 2 1 16 1 1 1 2 3 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 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 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 3 5 4 6 10 6 3 1 2 1 1 0 0 1 1 1 1 2 1 3 2 1 1 2 1 2 4 9 7 27 23 22 11 7 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 84 83 s 1H | 80 79 d 1H J 84 | 78 77 m 2H | 75 74 m 2H | 73 72 d 1H J 77 | 61 60 d 1H J 70 | 41 40 dtt 1H J 50 62 70 | 40 39 dtt 1H J 48 60 79 | 21 20 dt 1H J 62 141 | 20 19 dtdd 2H J 49 59 84 132 | 18 17 dt 1H J 61 139 | 17 16 m 2H | 16 15 m 3H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](COc1cccc(OC[C@@H]2CC[C@@H](CN3Cc4ccc(O)c(F)c4C3=O)CC2)c1)C(=O)O
ir: 100 8 5 3 3 8 2 3 5 3 7 6 11 15 5 12 14 10 14 15 44 92 33 9 6 5 7 3 6 7 12 34 9 5 6 3 6 4 2 4 3 7 13 14 6 3 6 22 9 4 2 23 10 9 11 8 6 12 6 4 10 19 4 5 2 6 9 16 39 15 13 9 9 10 5 3 21 28 66 44 12 6 26 13 80 31 20 14 7 5 4 3 4 9 16 16 30 11 2 3 2 5 3 10 6 5 3 4 2 5 5 6 3 2 0 3 6 3 4 16 12 8 2 8 6 14 3 5 5 4 3 15 27 47 53 9 2 5 48 10 4 19 7 4 11 4 4 11 8 9 16 8 4 3 4 12 16 6 3 3 3 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 1 2 1 1 1 2 3 5 3 4 2 2 2 2 2 2 4 11 4 10 13 25 8 6 2 3 4 4 63 19 14 2 2 4 22 78 6 5 2 1 1 14 90 96 13 2 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 99 99 s 1H | 72 71 t 1H J 80 | 71 70 dt 1H J 9 99 | 69 68 dd 1H J 48 101 | 67 67 d 1H J 46 | 67 66 m 4H | 65 64 t 1H J 21 | 45 44 dd 1H J 44 130 | 43 42 m 2H | 42 41 dd 1H J 44 130 | 41 40 m 2H | 39 38 dd 1H J 60 115 | 34 33 m 1H | 33 32 m 1H | 20 19 m 1H | 17 16 m 5H | 15 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2n(n1)-c1sc(C)c(C)c1C(c1ccccc1)=NC2
ir: 4 3 3 21 1 5 3 3 10 4 6 4 5 4 6 3 5 5 3 2 6 8 5 15 4 3 2 3 3 3 3 2 14 0 28 27 4 5 3 2 3 4 7 100 6 3 3 15 3 2 3 7 9 5 3 4 2 2 3 3 32 6 4 6 5 8 10 2 7 7 38 9 4 8 6 11 4 5 4 5 4 3 3 3 5 3 3 6 3 2 3 2 6 7 2 3 3 3 4 3 3 3 2 3 4 6 3 3 3 3 4 3 5 19 20 16 10 13 18 10 20 9 13 19 7 22 14 5 5 22 7 6 13 8 4 10 4 2 4 11 3 3 3 5 9 6 79 11 6 2 4 4 28 3 2 3 2 2 2 2 3 2 18 5 3 2 2 3 2 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 4 4 10 8 3 6 8 25 6 7 4 3 5 10 10 89 33 8 28 62 16 8 6 7 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 75 m 2H | 75 74 m 2H | 73 73 m 1H | 52 52 s 2H | 45 44 q 2H J 64 | 23 23 s 3H | 23 23 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cncc(C#Cc2ccccc2)c1
ir: 4 4 3 4 4 4 4 4 4 4 4 5 6 4 3 5 13 6 2 8 21 89 22 100 0 6 6 3 3 7 6 4 11 6 14 4 4 5 7 41 4 5 4 3 3 5 4 3 4 4 4 3 4 4 5 4 5 5 4 3 4 4 4 3 4 4 4 3 8 7 5 3 4 4 4 4 12 15 22 16 5 5 4 4 5 4 4 10 11 6 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 7 7 4 5 6 4 4 4 6 4 4 5 6 9 10 6 4 3 4 4 3 3 4 4 4 5 7 4 3 3 4 4 5 8 7 8 7 5 4 4 4 4 8 5 4 4 6 5 6 6 5 13 4 6 4 4 4 4 4 3 3 3 4 3 3 4 4 4 3 4 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 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 5 5 5 4 4 4 3 4 4 3 3 4 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 3 3 3 4 4 3 3 4 4 3 4 4 4 4 4 5 9 21 12 4 4 4 5 4 4 12 57 70 77 31 4 3 4 4 3 3 3 3 3 3 3 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 89 89 t 1H J 17 | 88 88 t 1H J 17 | 82 81 t 1H J 17 | 76 76 m 2H | 74 73 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)C1CCCCCC1
ir: 14 16 31 11 6 12 21 9 3 14 30 12 3 9 12 6 7 13 22 10 8 22 13 6 6 16 31 21 5 21 23 33 40 41 53 40 29 27 14 9 6 14 33 9 14 24 11 3 13 18 9 0 13 17 11 2 12 17 11 4 9 18 18 25 12 17 11 10 12 15 11 5 11 18 5 6 13 19 6 6 14 14 5 3 10 11 3 3 11 10 2 4 12 11 0 8 15 15 1 8 30 25 2 11 24 15 6 17 48 29 34 67 100 98 31 24 24 21 31 50 64 49 51 20 29 29 29 21 24 14 7 16 22 24 9 56 51 23 17 14 14 7 5 11 19 17 26 62 23 6 7 8 8 3 5 10 8 3 5 10 7 2 6 11 7 2 6 11 6 1 6 11 6 1 6 11 6 2 7 11 5 2 7 10 5 2 8 10 4 2 8 10 4 3 8 9 4 3 9 9 3 4 9 8 3 4 9 8 3 4 10 8 2 5 10 7 2 5 10 7 2 6 11 6 2 6 11 6 1 7 11 6 1 7 11 6 2 7 10 5 2 7 10 5 3 8 10 5 3 8 10 4 3 8 9 4 4 9 9 4 4 9 9 4 5 10 10 8 10 19 16 4 12 19 15 13 15 32 18 26 12 16 20 73 77 92 38 8 13 13 7 4 8 11 7 5 8 10 5 3 8 9 5 3 8 9 4 3 8 9 4 4 8 8 4 4 8 8 4 4 9 8 3 5 9 7 3 5 9 7 3 5 10 7 2 5 10 6 2 6 10 6 2 6 10 6 2 6 10 5 2 7 9 5 3 7 9 5 3 7 9 5 3 7 8 4 4 8 8 4 4 8 8 4 4 8 8 4 5 9 7 3 5 9 7 3 5 9 7 3 5 9 6 3 6 9 6 2 6 10; 1HNMR: 37 36 s 2H | 30 30 s 2H | 25 24 p 1H J 71 | 19 18 m 2H | 16 14 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CO)Cc2nnc(C3(c4ccc(-c5ncc(C#N)cc5F)cc4)CC3)n2CCS1
ir: 5 2 2 2 2 4 2 3 4 2 2 7 1 2 2 2 2 3 4 4 3 3 2 4 2 2 1 2 2 2 2 2 2 11 3 4 7 2 3 7 12 9 2 2 4 2 3 2 2 3 4 2 3 3 2 2 10 9 3 3 2 2 8 2 2 2 3 2 5 1 3 2 2 2 2 2 2 2 2 5 2 3 5 3 3 4 6 16 28 9 7 4 3 4 2 2 3 3 2 2 1 1 2 2 1 2 4 3 3 8 2 2 2 2 2 2 2 2 4 5 4 4 4 6 11 4 3 4 5 3 3 34 0 3 2 2 1 2 2 1 1 4 5 3 9 3 4 3 2 5 5 5 3 3 2 1 2 2 2 1 2 2 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 11 0 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 2 13 4 5 3 2 6 18 8 2 3 7 3 2 28 100 9 6 4 2 2 2 1 1 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 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 d 1H J 17 | 79 79 dq 2H J 17 88 | 78 77 dd 1H J 16 121 | 73 72 m 2H | 42 41 m 2H | 40 40 dd 1H J 57 103 | 38 37 dd 1H J 57 103 | 33 32 dt 1H J 50 130 | 31 30 m 3H | 29 28 d 1H J 158 | 17 16 m 2H | 16 15 s 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc2oc(=O)cc(Oc3c(Cl)cccc3Cl)c2c1
ir: 5 4 5 2 5 3 2 3 9 6 2 6 6 3 3 4 5 4 1 7 9 20 5 5 4 2 2 4 3 2 2 4 4 3 4 9 5 6 14 27 72 3 3 5 4 4 8 11 3 2 2 4 3 3 8 39 4 0 3 5 2 1 4 9 17 43 6 10 3 2 3 4 4 2 3 4 2 2 6 5 2 2 4 3 2 2 3 3 1 2 6 9 2 2 3 3 16 3 4 7 1 2 4 3 1 3 4 3 1 3 18 4 1 3 5 4 1 7 7 3 3 3 6 4 4 9 5 2 2 3 4 5 1 5 35 2 4 9 15 10 3 7 16 99 14 100 13 10 0 8 5 3 5 5 5 4 3 5 4 2 33 25 3 2 4 13 9 0 2 4 2 0 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 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 5 4 2 15 45 23 28 6 8 3 2 3 4 3 2 3 4 3 3 3 4 4 2 7 7 3 9 7 17 10 21 14 5 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 2 4 3 4 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 82 d 1H J 21 | 79 79 dd 1H J 22 86 | 74 73 dd 3H J 33 84 | 71 70 t 1H J 82 | 65 64 q 1H J 51 | 62 61 s 1H | 30 30 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)N1
ir: 1 0 1 1 1 1 3 1 1 11 12 9 15 7 9 13 13 4 6 7 3 0 0 2 1 1 0 2 2 3 4 2 2 1 2 2 8 13 2 5 6 7 57 67 3 4 3 3 2 4 6 4 9 8 6 7 2 5 2 1 1 1 0 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 2 1 1 1 0 0 1 2 3 3 32 2 1 1 1 1 0 5 95 3 0 1 1 1 0 0 5 16 4 1 0 1 0 1 2 7 1 0 1 1 1 1 1 2 1 2 2 2 2 1 3 1 1 0 0 0 1 0 1 1 0 0 5 0 0 1 7 35 26 9 9 4 2 1 2 5 56 12 1 0 8 7 15 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 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 2 1 1 1 1 0 0 1 2 4 9 6 14 3 7 1 0 3 4 34 100 22 2 1 0 0 1 1 1 1 1 0 0 2 4 2 25 7 8 2 7 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 84 84 t 1H J 56 | 74 73 ddt 2H J 8 34 78 | 72 71 m 2H | 47 47 s 2H | 46 45 dt 2H J 8 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1/C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1
ir: 1 3 9 15 8 3 6 3 5 3 12 6 2 4 7 8 17 5 4 2 6 12 27 10 10 5 5 2 8 8 13 10 25 80 33 13 28 23 19 43 12 25 48 84 45 19 9 2 2 4 5 2 2 4 3 2 7 8 7 2 5 12 8 19 25 6 7 10 14 12 24 5 11 13 15 4 9 14 12 7 10 10 43 27 14 8 2 4 2 4 3 3 4 3 3 3 4 4 11 5 9 5 2 5 3 3 6 4 10 7 11 23 44 15 3 3 6 4 6 7 11 11 15 15 12 6 12 8 12 7 2 4 4 7 17 14 7 19 13 69 37 61 9 21 27 25 41 55 41 39 3 15 10 22 9 13 4 4 9 9 9 1 1 5 2 1 2 3 3 34 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 4 1 5 8 6 3 4 3 4 1 3 8 6 26 43 53 62 79 91 44 14 4 6 7 4 4 5 7 2 1 2 2 1 2 3 3 2 5 5 15 23 100 12 7 4 3 3 5 2 1 4 2 0 1 3 3 1 1 2 2 0 1 2 2 0 2 3 2 0 2 3 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2; 1HNMR: 85 84 m 2H | 77 76 t 1H J 49 | 76 75 dd 1H J 17 79 | 75 75 m 2H | 75 73 m 5H | 73 72 m 2H | 72 71 m 2H | 70 69 dd 1H J 14 82 | 63 62 dd 1H J 13 159 | 39 38 s 2H | 32 32 q 2H J 54 | 28 27 tt 2H J 9 84 | 18 17 ttd 2H J 11 73 84 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OCCc3ccc4ccccc4n3)cc12
ir: 4 5 9 3 7 3 1 2 2 2 2 3 2 5 2 4 3 4 15 8 3 3 4 3 2 20 22 12 12 5 2 3 3 14 6 1 4 1 3 5 19 10 44 7 12 18 67 15 38 10 8 5 4 8 53 25 3 1 2 4 2 2 6 13 5 8 9 6 6 15 67 5 3 3 22 9 7 1 1 1 1 2 1 2 2 0 1 2 5 6 1 11 5 4 7 4 5 6 3 2 1 1 2 2 14 11 11 4 2 8 3 10 5 3 9 7 3 6 8 8 5 16 6 2 4 18 5 22 11 2 3 1 5 2 8 16 8 8 3 8 9 3 4 4 15 50 19 45 59 90 6 2 1 8 100 17 55 42 4 0 4 3 2 4 20 28 9 7 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 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 3 3 3 3 4 2 5 3 3 4 10 21 15 27 56 72 25 42 26 5 2 2 2 1 0 2 1 1 1 1 1 2 2 2 2 4 12 19 18 11 12 25 10 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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: 82 81 t 1H J 9 | 81 81 d 1H J 78 | 81 80 dd 1H J 11 76 | 79 79 m 1H | 78 77 td 1H J 12 76 | 76 75 m 1H | 74 74 s 1H | 74 73 m 2H | 71 70 s 1H | 44 43 t 2H J 59 | 42 41 qd 2H J 9 80 | 39 39 s 2H | 33 32 m 4H | 16 15 p 2H J 61 | 14 13 m 5H | 10 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCc1ccccc1O
ir: 14 16 24 21 8 13 8 19 21 17 48 7 12 20 21 11 17 11 7 8 4 3 6 3 3 5 5 2 3 2 3 1 2 2 2 3 4 3 3 8 6 12 86 4 3 2 3 8 5 2 3 2 1 2 2 1 2 1 3 3 2 1 3 3 2 2 5 11 6 5 6 3 2 2 5 7 2 8 10 24 6 4 1 1 4 6 0 100 14 3 17 6 3 3 6 7 2 5 31 4 3 2 3 4 12 1 2 1 1 1 2 3 3 2 4 5 1 3 3 5 5 11 4 5 3 4 10 3 3 4 1 2 2 3 5 4 2 17 2 2 3 3 5 27 50 6 2 1 5 4 2 1 1 2 2 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 4 2 2 2 2 2 3 15 13 8 34 13 8 3 5 5 10 19 23 25 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 ddt 1H J 9 17 79 | 71 70 td 1H J 18 81 | 70 69 td 1H J 15 79 | 68 67 dd 1H J 15 83 | 50 49 s 1H | 37 36 s 3H | 28 27 td 2H J 9 86 | 25 24 t 2H J 86 | 20 19 p 2H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c2c(c1O)C(NS(C)(=O)=O)CC2
ir: 3 3 13 8 2 2 4 4 4 3 2 2 2 2 2 4 8 6 4 4 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 3 2 3 2 2 3 4 5 3 3 4 7 7 4 3 2 1 3 3 6 4 4 4 3 1 25 14 6 8 7 4 2 8 15 16 44 51 6 6 7 9 7 3 2 2 2 2 3 3 10 11 28 5 2 3 3 4 13 4 4 5 3 4 4 21 25 20 41 20 17 8 7 7 2 4 3 3 1 4 16 9 5 2 6 4 3 2 3 2 3 3 3 5 4 3 4 2 2 2 2 2 3 4 3 2 2 2 2 2 2 3 3 2 2 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 7 2 2 2 2 2 2 2 2 3 2 3 3 7 10 3 6 6 3 3 3 3 2 0 3 51 52 5 2 1 2 3 2 2 2 2 4 11 88 100 8 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 68 68 d 1H J 9 | 67 67 d 1H J 90 | 63 63 s 1H | 51 50 dt 1H J 48 90 | 31 30 m 1H | 31 30 s 3H | 30 29 ddd 1H J 57 75 163 | 25 24 dddd 1H J 48 55 75 122 | 23 22 s 3H | 22 21 dddd 1H J 48 56 75 122 | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(F)C[C@H](N[C@@](C#CCBr)(c1ccc(Br)cc1)C(F)(F)F)C(=O)N[C@@H](CS)C(N)=O
ir: 2 2 5 2 1 3 6 2 4 5 9 7 3 5 8 11 5 6 10 2 4 4 5 4 2 3 3 4 8 5 11 14 25 27 28 24 10 12 7 7 33 18 18 38 9 26 6 8 4 4 4 6 4 6 12 7 4 10 6 1 4 17 3 1 2 3 1 0 3 6 2 1 2 2 1 1 3 17 7 3 4 3 1 0 2 8 1 1 2 2 1 2 2 4 7 3 8 5 4 2 5 4 5 13 5 4 4 8 6 12 1 5 13 7 12 6 6 6 1 6 4 3 7 3 4 1 4 3 8 9 3 7 9 14 10 4 4 4 2 4 5 7 26 18 4 2 3 12 14 6 2 2 2 2 5 3 3 25 49 3 2 1 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 1 1 0 2 3 2 1 2 4 6 11 4 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 2 3 2 2 0 2 8 5 10 8 3 5 26 4 4 2 2 2 2 2 0 1 2 1 1 2 3 2 2 11 60 15 6 13 36 8 3 37 8 1 4 4 8 100 14 3 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 d 1H J 82 | 76 75 m 4H | 68 68 s 2H | 44 43 m 2H | 42 41 dtd 1H J 27 40 82 | 41 40 m 2H | 31 30 ddd 1H J 42 71 128 | 28 28 ddd 1H J 42 70 128 | 24 23 ddd 1H J 42 126 159 | 21 20 ddd 1H J 41 126 159 | 18 17 t 1H J 70 | 17 17 s 1H | 16 16 s 1H | 16 15 s 1H | 15 15 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCC1CN(Cc2ccccc2)NN(Cc2ccccc2)C1
ir: 2 7 5 8 3 5 7 1 2 3 3 1 1 3 1 1 1 1 1 1 1 3 3 1 4 1 1 1 1 2 13 14 4 3 2 2 3 4 2 16 100 5 6 3 3 3 1 0 7 1 3 11 3 2 5 9 5 2 10 4 1 2 2 3 7 2 1 5 7 5 1 1 2 1 2 12 14 15 8 4 2 1 2 5 3 23 7 4 5 12 22 5 4 19 8 3 3 11 8 7 7 7 3 1 1 2 1 1 2 2 2 2 1 1 1 8 8 2 3 2 3 6 1 1 1 1 2 2 1 3 2 1 3 1 4 27 2 2 1 1 1 5 9 7 3 2 2 2 1 0 1 4 4 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 1 1 1 1 1 2 2 3 9 7 8 54 23 7 3 2 1 1 1 1 1 1 0 0 0 1 0 0 1 2 42 4 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; 1HNMR: 73 72 m 11H | 60 60 s 1H | 38 37 m 4H | 29 28 dd 2H J 53 115 | 26 26 dd 2H J 53 117 | 25 25 m 2H | 23 22 s 5H | 20 19 tt 1H J 54 71 | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc2c(n1)CCC(N)(c1cccc(C(C)(C)C)c1)C2
ir: 1 1 1 1 1 1 1 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 5 5 9 3 1 1 1 1 1 1 2 2 10 20 24 1 3 20 18 8 4 0 18 11 1 5 7 1 3 17 41 23 4 2 8 5 4 6 6 8 7 9 18 11 22 3 2 1 2 1 1 2 1 1 3 2 2 2 2 1 2 2 3 2 2 2 2 4 2 2 2 3 2 2 2 7 3 1 1 1 3 7 5 3 4 7 3 4 6 4 8 4 4 5 8 6 14 4 19 6 30 20 74 23 8 5 3 1 2 2 3 5 9 31 35 6 6 9 3 1 1 1 1 1 2 2 2 25 7 3 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 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 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 3 1 2 2 2 2 2 3 3 3 2 6 6 12 24 11 7 15 15 9 4 0 2 2 1 1 1 3 1 1 18 12 14 3 7 5 6 4 14 58 100 6 1 0 2 1 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 t 1H J 9 | 74 73 m 2H | 73 72 m 2H | 33 33 dd 1H J 8 187 | 31 30 dd 1H J 9 187 | 30 29 ddd 1H J 49 76 163 | 29 28 d 2H J 48 | 29 28 m 1H | 26 25 s 3H | 25 24 ddd 1H J 49 76 165 | 22 21 ddd 1H J 49 75 163 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCCc1ccccc1)n1nnc2c(=O)[nH]c(Cc3ccc4c(c3)OCO4)nc21
ir: 0 2 5 2 1 3 3 6 16 5 5 3 2 3 3 3 1 4 3 2 2 2 4 12 12 9 6 4 4 4 10 7 2 8 5 6 6 11 8 16 24 9 4 3 5 4 12 37 19 19 25 100 12 4 5 9 4 3 4 4 5 4 4 8 12 43 8 6 16 5 4 1 5 3 4 2 3 4 4 2 2 2 3 3 4 19 24 4 2 12 3 3 5 6 5 3 3 6 7 4 3 2 1 3 5 3 3 3 5 5 4 4 4 3 5 3 2 5 7 11 8 5 4 3 6 7 6 9 7 3 4 3 4 2 4 13 5 4 3 4 3 9 17 12 7 3 14 12 4 4 11 3 27 3 3 2 2 3 2 4 4 72 7 4 4 0 2 3 2 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 2 3 5 6 4 2 6 3 3 5 6 5 7 15 17 10 58 29 14 6 6 4 4 2 1 2 3 1 1 2 3 1 1 2 3 2 4 11 9 7 9 20 22 6 2 3 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 17 78 | 68 68 ddt 1H J 9 17 88 | 68 67 d 1H J 88 | 67 67 dt 1H J 8 17 | 59 59 s 2H | 49 48 h 1H J 47 | 39 39 t 2H J 8 | 27 26 m 2H | 21 20 dtd 1H J 44 81 141 | 19 16 m 3H | 14 14 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2(CC1C(O)c1ccccc1)OCCO2
ir: 1 2 2 4 2 4 3 9 4 3 4 5 4 2 2 5 3 4 8 3 2 1 1 8 1 2 2 1 1 3 3 4 7 2 1 1 1 1 4 2 5 12 4 3 2 1 1 1 1 1 1 1 1 3 2 1 1 2 1 6 2 2 6 2 4 3 2 1 3 4 2 4 1 1 1 1 2 2 3 4 3 2 1 3 4 4 10 20 11 9 12 3 3 2 1 1 2 3 2 1 1 1 1 2 2 2 9 6 4 2 2 1 4 7 2 1 3 2 7 6 4 3 9 3 5 4 4 4 3 11 8 10 5 4 3 13 5 1 1 2 1 1 2 5 3 2 2 1 1 1 2 85 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 2 3 6 3 3 1 2 2 2 3 5 21 2 5 38 10 6 2 3 1 0 5 100 16 4 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H | 51 50 ddt 1H J 8 52 79 | 42 41 dt 1H J 70 79 | 40 37 m 7H | 36 35 d 1H J 51 | 24 23 d 2H J 70 | 22 21 t 2H J 64 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(CCN2C=C(C(=O)OC)C(=O)CC2=O)cc1OCC
ir: 4 10 3 4 7 6 8 6 4 9 4 2 1 5 5 4 8 6 9 3 2 9 9 7 4 10 8 19 10 7 4 3 1 5 6 9 3 6 4 1 2 4 3 3 3 6 3 5 3 5 3 2 5 12 16 26 16 49 17 6 3 4 3 6 3 5 3 0 12 24 5 4 3 6 7 7 10 5 2 3 11 4 1 1 3 3 11 10 6 5 3 3 8 9 3 3 4 3 2 3 8 4 2 5 12 4 1 2 5 2 3 4 6 8 2 3 9 11 5 6 26 9 6 9 18 37 5 10 10 8 20 43 5 3 2 4 5 1 1 4 6 3 5 24 9 3 9 45 62 100 41 6 10 18 4 4 3 1 2 3 3 1 2 4 4 16 8 3 3 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 3 3 3 2 5 6 8 5 4 4 6 3 4 4 6 42 28 16 31 59 12 8 4 2 3 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3; 1HNMR: 84 84 d 1H J 9 | 68 67 d 1H J 88 | 67 66 ddt 1H J 8 17 86 | 66 66 dt 1H J 8 18 | 42 40 m 7H | 39 38 s 2H | 38 38 s 2H | 30 29 tt 2H J 9 62 | 15 14 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.