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O=C(CCc1ccccc1)N1CCC(CCO)CC1
ir: 16 7 9 8 3 6 4 4 12 6 6 4 2 4 8 6 6 5 6 3 4 7 9 2 2 4 5 2 2 7 29 16 11 7 6 2 5 19 9 1 82 23 13 3 3 6 5 0 3 5 4 5 6 7 3 8 9 6 5 3 5 9 8 4 3 5 4 4 6 15 4 2 6 7 6 5 5 7 3 5 7 5 4 5 13 32 19 25 100 41 19 19 13 15 8 7 11 9 2 5 8 6 5 9 11 10 3 13 30 9 3 7 9 4 3 13 10 7 6 9 6 9 10 5 7 6 6 4 7 7 5 4 6 4 13 23 13 7 11 11 6 5 10 24 7 13 25 32 8 3 3 9 8 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 3 5 4 1 7 9 14 10 9 8 11 8 10 9 9 19 27 21 10 19 22 12 7 3 9 26 35 48 60 17 7 8 8 7 6 9 8 6 5 5 4 4 3 4 5 5 5 3 5 4 2 2 4 3 3 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 8 15 75 | 37 36 m 4H | 36 35 ddd 2H J 60 85 121 | 29 28 tt 2H J 9 78 | 26 26 m 2H | 23 22 m 1H | 19 18 m 2H | 17 15 m 3H | 15 14 dt 2H J 56 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC(=O)OC(C)(C)C)C(N)=S
ir: 12 6 5 6 4 2 3 4 9 9 12 6 2 5 5 5 4 4 7 13 15 6 6 11 1 28 49 42 21 84 71 100 56 33 39 26 11 8 5 4 4 4 1 4 3 0 1 2 2 1 2 2 2 0 2 3 2 1 6 3 2 0 6 4 2 1 3 1 2 1 3 7 6 3 2 2 2 1 1 3 7 16 2 3 1 1 2 2 1 1 1 2 1 2 2 4 11 4 8 5 1 3 3 2 6 10 8 2 2 3 5 2 4 10 20 3 1 3 4 8 3 10 27 10 7 3 3 3 3 6 10 5 2 2 1 2 3 2 1 2 1 2 3 19 48 62 13 3 4 90 91 3 2 4 3 3 9 42 36 12 5 6 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 4 2 3 1 1 2 1 1 1 3 7 8 7 14 21 15 2 2 2 1 1 1 1 1 1 1 1 2 7 4 2 3 3 2 3 84 36 7 4 10 29 53 68 43 13 3 4 15 89 59 6 3 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 73 72 s 2H | 56 55 d 1H J 70 | 41 40 dq 1H J 54 70 | 15 15 d 4H J 53 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncc(N2CCOCC2)nc1N1CCOCC1
ir: 1 4 5 3 3 6 4 2 2 3 22 2 8 7 60 63 49 8 19 3 4 5 4 4 7 6 5 5 4 18 25 11 14 4 6 4 2 2 1 1 4 2 2 1 4 3 1 2 2 3 18 7 3 2 2 10 14 11 18 8 3 1 2 4 13 5 4 3 1 0 4 6 30 34 14 30 2 2 2 1 2 1 3 4 15 8 8 6 8 5 7 49 23 10 7 8 8 15 55 18 17 16 14 11 10 6 6 4 5 6 22 15 37 15 11 8 37 92 67 27 17 6 7 8 8 3 4 25 11 29 11 6 8 17 7 6 5 2 1 1 1 1 2 3 4 100 10 16 11 1 0 2 1 0 1 2 1 1 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 6 5 4 5 6 2 1 2 2 2 3 29 4 3 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H | 39 38 m 8H | 37 36 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCCC1NCc1ccc(F)cc1
ir: 10 7 2 3 5 9 2 5 7 13 10 7 13 7 1 2 2 3 3 2 2 1 0 1 1 1 1 1 2 3 1 2 2 1 3 15 14 4 4 4 2 3 5 14 9 16 12 6 14 12 12 12 16 22 32 20 18 26 11 9 5 4 6 5 8 7 5 9 18 10 9 19 12 7 7 8 6 3 6 3 1 1 2 2 0 1 3 3 0 0 2 2 2 1 5 10 10 21 11 23 8 7 13 8 19 20 17 14 10 10 14 15 25 48 1 11 7 8 3 5 4 6 12 10 4 8 17 11 7 6 5 5 16 14 23 16 7 5 2 3 3 6 6 16 20 19 10 22 17 8 5 6 10 4 2 1 1 1 1 0 1 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 2 1 2 1 3 2 4 3 1 4 2 4 4 7 10 23 10 18 42 22 11 6 2 5 3 4 3 2 1 2 2 1 2 4 2 4 9 84 100 23 5 2 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddt 2H J 9 35 77 | 71 70 m 2H | 40 39 ddt 1H J 9 57 139 | 39 38 ddt 1H J 9 56 139 | 37 36 s 2H | 34 33 ddt 1H J 34 53 67 | 33 32 m 1H | 26 25 q 1H J 49 | 21 19 m 2H | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCC(C)(C)C(=O)N(C)c1cnc(-c2cncc(F)c2)s1
ir: 2 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 3 2 3 3 2 1 1 4 1 2 3 3 2 1 1 1 1 1 0 0 1 7 1 1 1 1 4 3 16 5 3 5 6 9 1 1 1 1 1 0 3 10 6 7 2 6 9 9 9 4 3 2 1 0 1 3 3 3 3 6 0 0 1 2 2 29 6 16 14 2 2 3 8 7 4 2 1 1 2 1 1 2 2 11 2 1 1 1 1 1 2 12 12 6 27 13 11 11 7 6 9 8 19 11 13 3 8 2 3 1 2 4 6 9 9 10 3 2 2 1 1 1 2 3 1 1 5 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 7 1 1 0 0 0 1 1 2 4 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 5 5 3 4 3 5 3 3 3 2 3 12 35 51 7 3 61 16 100 4 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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: 87 86 t 1H J 16 | 83 82 dt 1H J 16 139 | 80 80 s 1H | 78 77 dt 1H J 17 121 | 36 36 s 3H | 28 28 s 2H | 21 20 s 3H | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=O)c1ccc(Cl)cc1
ir: 16 9 3 7 10 7 2 20 6 24 4 10 12 8 2 7 10 10 5 9 9 5 3 7 8 6 37 15 33 8 2 8 9 3 18 69 36 97 13 10 6 3 5 8 5 4 4 7 6 2 8 11 11 26 47 65 51 9 9 11 7 0 5 8 5 5 17 40 12 7 11 7 3 2 5 8 4 3 6 6 4 3 6 7 11 22 27 11 5 6 7 6 5 9 71 70 18 9 14 15 17 23 15 6 3 5 8 5 2 4 7 5 3 5 9 10 3 14 15 11 14 9 9 28 57 18 10 10 1 7 8 12 3 52 17 54 13 24 10 6 5 8 12 8 19 15 25 55 46 17 14 8 3 8 6 2 4 8 5 1 4 8 6 2 4 7 4 0 4 7 4 0 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 3 3 7 5 2 3 7 4 2 4 8 6 3 9 13 19 26 56 100 85 30 18 11 11 7 9 6 5 3 5 5 4 3 4 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2; 1HNMR: 80 79 m 2H | 76 75 m 2H | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Cl
ir: 2 2 1 1 2 1 0 2 4 3 2 4 6 3 1 12 16 4 3 8 11 100 53 7 0 2 2 2 4 4 1 1 1 2 1 1 2 3 2 2 2 1 1 1 1 1 1 1 2 5 3 2 1 2 7 7 6 0 1 2 1 0 2 4 4 4 2 6 4 6 1 3 2 0 2 3 3 6 28 9 5 15 8 21 4 8 5 5 8 2 1 1 1 3 4 2 2 7 3 3 1 1 1 1 1 2 3 2 1 1 1 1 1 1 2 11 11 4 4 3 1 2 2 2 1 1 2 4 17 6 1 1 1 1 1 1 2 1 1 2 2 5 21 22 2 4 2 1 1 2 2 2 18 13 2 1 3 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 3 3 5 10 7 5 5 3 3 1 1 1 2 6 6 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; 1HNMR: 84 84 d 1H J 21 | 80 80 dd 1H J 22 84 | 75 75 dd 1H J 7 84 | 40 39 pd 1H J 7 66 | 13 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CCl)ccnc1Nc1ncc(C#N)s1
ir: 1 1 1 0 2 4 1 1 2 2 3 3 3 3 5 2 2 4 5 7 3 3 4 2 3 5 4 7 9 2 2 1 1 2 2 5 7 7 6 2 2 3 12 2 2 2 2 2 2 1 1 2 1 0 1 1 0 0 1 2 1 0 0 1 0 0 1 1 0 1 1 1 2 5 4 2 1 2 5 1 1 0 0 1 0 1 3 2 0 0 2 4 5 1 3 3 5 4 2 2 2 3 4 1 1 1 5 3 1 3 3 1 1 1 2 2 2 1 1 1 0 2 2 2 1 1 2 1 1 3 3 3 6 2 2 1 1 1 1 0 3 7 15 5 1 1 1 0 0 4 8 10 4 6 4 1 1 2 10 100 14 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 27 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 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 1 1 1 1 1 2 2 2 9 5 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 2 2 2 4 11 21 17 6 4 2 1 1 1 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 46 | 79 79 s 1H | 72 72 s 1H | 69 69 dt 1H J 9 46 | 48 48 d 2H J 7 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N2C[C@@H]3[C@@H](O)CCCN3C2=O)ccc(C#N)c1Cl
ir: 3 7 14 4 7 6 12 8 3 13 9 7 2 6 9 5 2 7 7 3 1 5 8 3 9 9 9 3 3 9 7 22 5 11 10 10 4 16 42 26 13 13 20 2 4 8 5 2 18 11 8 1 4 14 8 80 8 7 5 1 5 8 3 8 6 9 5 3 11 9 4 2 6 11 5 14 13 9 3 4 8 7 4 8 11 20 12 29 79 31 8 8 15 9 6 8 14 9 4 4 8 8 15 7 11 5 2 11 7 8 1 24 21 20 31 6 13 8 10 9 8 6 4 9 11 5 6 6 8 4 3 16 9 9 6 8 13 3 3 9 19 84 16 7 4 2 10 6 5 2 3 38 7 12 42 11 5 1 9 7 5 1 3 7 4 1 3 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 11 6 3 1 5 6 3 2 5 6 2 2 5 6 2 2 5 5 2 2 6 5 2 2 6 5 2 3 6 4 1 3 6 4 1 3 6 5 1 4 7 4 1 4 7 4 0 4 7 4 1 4 6 3 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 1 3 7 5 2 4 7 8 4 7 10 7 3 6 12 10 11 36 14 12 100 17 8 5 2 5 7 3 18 6 6 4 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6; 1HNMR: 76 75 d 1H J 82 | 73 72 d 1H J 81 | 42 41 dd 1H J 21 107 | 40 39 m 4H | 39 38 ddd 1H J 39 66 121 | 34 34 ddd 1H J 39 66 121 | 22 22 s 2H | 20 17 m 3H | 17 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(NC(=O)OC(C)(C)C)c2nc3ccccc3[nH]2)cc1
ir: 9 6 7 7 3 4 1 3 5 4 3 3 7 6 5 10 3 3 2 4 7 4 10 3 4 16 2 60 3 6 19 26 31 21 4 5 8 21 4 9 2 4 100 18 5 1 7 5 3 2 2 5 2 5 12 23 8 3 10 4 5 21 3 4 3 0 1 1 0 13 1 5 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 4 4 4 1 1 1 2 1 4 3 4 13 5 3 1 2 1 1 2 8 6 3 3 7 6 2 2 2 2 5 5 5 12 2 2 2 2 2 2 4 4 3 11 20 7 2 5 99 8 4 2 1 17 2 1 2 9 29 34 54 8 10 57 17 4 22 17 2 3 1 2 1 0 2 4 5 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 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 1 1 1 0 1 1 1 1 2 2 2 1 1 2 4 1 2 2 4 4 3 14 16 3 17 79 38 3 3 3 2 1 2 3 3 2 3 3 1 0 1 1 2 2 2 3 2 2 7 14 72 24 35 13 5 2 1 1 2 1 0 1 1 1 0 0 1 1 0 0 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 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 75 74 m 1H | 72 71 m 2H | 71 70 dq 2H J 9 81 | 69 68 m 2H | 64 64 d 1H J 68 | 54 53 dt 1H J 54 68 | 38 38 s 3H | 33 32 ddt 1H J 9 54 151 | 30 30 ddt 1H J 9 55 152 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C=O)cccc1OCc1ccccc1
ir: 3 2 1 2 2 2 0 3 4 4 1 2 2 1 1 2 3 2 1 2 2 1 1 2 3 2 4 3 3 5 16 5 4 2 3 4 3 3 4 10 37 9 2 5 2 3 10 24 8 5 2 3 1 0 1 3 2 0 3 4 6 3 6 4 2 1 3 4 5 4 4 3 1 1 2 3 2 2 4 4 2 1 3 2 1 1 2 2 4 10 5 10 5 3 11 4 1 4 4 2 1 1 3 2 2 7 9 3 1 4 4 8 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 1 1 2 3 1 1 2 6 14 4 10 7 2 14 3 7 13 3 3 4 1 1 2 3 3 2 3 8 5 1 8 6 3 6 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 0 1 3 2 1 2 3 2 1 3 8 6 8 22 100 34 9 4 2 3 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 76 76 dd 1H J 15 79 | 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 73 72 t 1H J 79 | 70 69 dd 1H J 15 78 | 51 50 t 2H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C2CC(O)Oc3cc(NC(C)=O)ccc32)cc(Br)c1OC
ir: 5 5 3 2 5 6 3 6 3 5 1 2 3 2 4 7 3 9 5 6 3 4 2 2 3 6 5 4 4 6 7 18 7 22 25 20 3 2 3 2 7 3 0 1 1 2 1 1 2 4 10 7 11 9 7 3 13 0 2 7 4 8 4 11 3 17 8 15 15 22 20 14 7 6 10 14 1 3 4 5 3 4 12 47 47 24 19 9 7 6 5 3 5 3 3 10 9 3 6 3 2 1 4 3 2 9 45 6 3 6 4 5 2 2 0 5 2 7 2 5 4 2 4 3 1 1 2 8 3 5 2 3 2 2 1 1 2 3 1 2 3 3 15 9 8 15 66 13 4 2 3 7 100 4 21 5 3 5 2 2 5 23 6 49 2 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 1 0 1 1 3 1 1 1 1 1 2 1 2 2 3 3 5 10 12 6 16 27 49 12 5 7 3 4 1 1 9 2 2 1 1 1 2 2 1 1 4 4 5 7 18 39 28 22 8 3 2 1 1 1 1 1 1 0 0 0 1 0 1 0 1 1 0 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 76 75 dd 1H J 22 84 | 73 72 m 2H | 71 70 d 1H J 21 | 67 67 d 1H J 23 | 57 56 td 1H J 38 55 | 50 49 d 1H J 38 | 46 45 ddd 1H J 9 71 77 | 39 39 s 3H | 39 38 s 3H | 25 24 ddd 1H J 53 76 147 | 22 22 ddd 1H J 55 77 148 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)N1C(=O)[C@@](C)(CC(O)C(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
ir: 1 2 1 1 3 2 2 1 1 1 3 1 4 12 4 3 3 3 7 2 1 18 13 5 2 2 4 2 2 1 1 2 3 1 4 1 2 2 5 5 1 0 2 1 1 2 2 13 3 1 1 0 4 1 4 21 2 0 1 1 1 1 1 0 1 2 1 2 2 3 1 1 1 1 1 1 2 2 7 45 3 1 1 2 2 2 4 4 9 15 25 5 2 4 3 10 2 3 2 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 4 1 2 2 2 2 5 1 2 3 6 1 1 1 2 2 2 3 2 3 1 5 2 1 4 5 3 10 4 7 4 1 2 3 1 2 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 2 2 1 1 1 2 3 5 7 4 11 44 4 2 2 3 3 2 3 15 22 100 6 3 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 74 73 m 5H | 73 72 m 3H | 50 50 d 1H J 57 | 48 47 m 1H | 43 42 td 1H J 58 76 | 36 35 m 2H | 23 23 dd 1H J 77 139 | 23 22 dd 1H J 49 136 | 21 20 ddd 2H J 77 137 150 | 18 17 dqd 2H J 62 72 119 | 15 14 dqd 2H J 62 71 121 | 13 13 s 2H | 9 9 td 6H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(Br)ccc23)c(F)c1
ir: 3 5 5 2 3 3 4 2 1 2 1 2 1 2 1 3 3 3 3 3 1 8 3 2 3 20 7 3 1 2 2 1 0 5 1 1 1 1 2 9 3 3 4 1 1 2 3 7 5 2 4 2 1 2 4 23 5 3 1 0 1 3 3 0 1 4 6 12 13 6 2 5 1 1 0 1 1 2 2 1 2 2 2 3 1 1 1 1 2 2 2 0 3 2 0 1 25 3 17 5 16 3 1 1 7 4 2 1 2 1 1 1 4 3 4 8 40 10 9 3 5 1 2 2 6 6 7 5 21 7 1 1 3 12 14 2 2 2 5 5 3 1 2 1 16 2 2 2 2 1 3 5 32 14 5 2 3 1 4 1 1 1 9 8 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 3 1 3 6 13 31 100 20 6 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 d 1H J 23 | 81 81 d 1H J 84 | 79 78 m 4H | 77 76 m 3H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNc1cnc(Br)cn1
ir: 4 3 5 5 6 9 47 34 9 5 5 4 21 12 6 13 16 10 17 19 11 17 57 49 62 72 46 38 25 22 20 21 19 11 12 11 15 30 33 21 21 25 9 13 10 6 6 4 9 4 4 10 5 3 3 5 9 12 12 0 3 7 7 20 5 4 5 8 9 19 26 7 4 2 4 3 4 4 6 4 3 2 4 6 5 5 16 19 14 5 20 56 27 20 6 4 5 5 9 8 5 3 3 22 3 8 4 4 4 5 2 32 17 8 14 4 2 6 6 20 42 19 8 6 5 6 6 4 4 15 8 21 17 14 100 7 2 4 3 2 3 4 5 8 10 96 56 31 33 13 6 4 4 2 2 3 3 3 4 6 3 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 3 2 2 2 3 3 3 3 2 2 2 3 3 3 7 4 3 2 2 3 3 2 2 2 2 2 2 2 2 3 3 4 4 3 3 3 3 4 4 7 8 23 35 47 95 24 11 5 4 3 3 2 2 3 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 80 s 1H | 77 77 s 1H | 64 64 t 1H J 48 | 36 35 td 2H J 47 68 | 28 27 t 2H J 68 | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O
ir: 5 4 1 3 5 3 0 3 5 2 3 4 8 8 3 4 5 4 6 13 10 27 13 8 8 16 11 17 58 24 14 7 7 5 3 4 4 7 4 18 72 37 30 48 24 10 12 14 10 3 7 11 11 4 18 12 5 1 9 7 3 2 5 14 4 0 4 12 11 7 4 4 2 1 3 15 2 1 4 7 3 1 3 4 2 2 20 24 4 5 16 11 5 31 51 12 5 3 6 5 1 8 9 5 2 19 6 2 1 2 4 2 0 2 4 2 1 3 4 4 3 7 6 6 2 9 5 4 3 4 4 2 2 5 4 2 1 3 4 4 14 9 7 42 19 73 20 19 14 15 5 4 5 8 14 11 3 4 3 1 3 6 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 3 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 2 3 5 6 15 20 36 70 2 7 10 4 1 16 100 45 0 4 5 1 1 3 4 2 2 3 5 3 3 14 19 20 30 21 7 5 2 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 89 89 dd 1H J 21 41 | 85 84 dd 1H J 21 76 | 82 81 t 1H J 56 | 80 79 s 1H | 78 77 dd 1H J 41 76 | 73 73 dt 2H J 9 79 | 73 72 m 2H | 46 45 dt 2H J 9 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cccs1
ir: 9 6 3 7 6 8 7 5 7 14 9 13 7 5 4 6 6 4 3 4 4 4 3 4 5 3 3 5 5 0 6 14 4 4 5 4 7 8 24 10 21 4 6 7 10 19 51 93 56 2 4 12 6 5 6 7 7 2 4 6 5 3 8 7 5 4 4 5 5 8 9 6 4 3 4 5 8 6 8 5 3 3 4 4 3 3 5 5 3 3 8 42 14 11 7 5 7 5 6 5 3 4 7 14 11 100 7 4 5 7 5 4 3 4 5 5 11 11 7 9 5 8 7 5 3 5 6 5 7 18 34 34 7 6 4 4 4 4 4 4 6 4 6 7 18 23 21 40 4 23 16 7 4 6 9 5 21 61 7 4 5 5 5 3 6 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 5 3 4 4 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 5 5 5 6 5 4 4 4 4 3 4 5 5 10 12 21 26 15 6 15 10 13 18 21 22 6 6 7 4 4 4 5 4 3 4 5 5 5 5 5 6 8 11 50 65 73 6 5 5 4 5 4 3 4 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3; 1HNMR: 78 77 s 1H | 72 72 dd 1H J 17 63 | 71 71 dd 1H J 17 52 | 70 70 dd 1H J 51 62 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=COC(=O)OCCN1C(=O)CCC1=O
ir: 20 44 31 20 18 11 13 6 1 7 9 4 0 5 4 5 2 5 5 2 1 3 4 2 3 6 11 20 16 23 8 8 9 7 16 5 3 6 4 1 2 3 2 2 3 3 3 4 5 54 28 23 25 8 4 1 4 5 3 0 3 6 10 2 5 6 4 4 6 10 12 17 10 7 3 4 4 4 3 2 3 4 2 2 4 5 5 7 8 6 2 2 4 5 3 4 9 9 5 3 5 3 1 3 4 5 8 11 18 19 27 18 20 17 100 72 14 14 64 41 73 38 11 15 10 15 15 25 13 3 5 6 4 5 3 10 8 5 7 6 13 52 39 10 14 34 55 41 19 8 10 23 37 24 9 4 5 2 3 6 7 4 4 5 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 3 2 1 1 3 2 1 3 4 3 1 5 6 18 9 14 21 10 19 12 24 10 31 24 17 16 11 18 16 11 24 13 17 5 4 3 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 74 73 dd 1H J 101 156 | 50 49 dd 1H J 29 101 | 46 45 dd 1H J 29 156 | 45 44 t 2H J 69 | 43 42 t 2H J 69 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(NC(=O)N(CCCCl)CCCCl)C(=O)O
ir: 3 3 1 1 1 1 1 1 1 1 2 2 3 9 5 4 3 4 3 6 4 100 53 15 6 10 6 3 3 1 1 1 1 1 1 1 2 2 2 2 7 4 13 91 18 3 5 2 2 2 1 4 3 2 1 1 3 1 1 1 1 0 6 3 6 1 2 1 2 1 1 1 1 2 2 3 6 13 33 20 5 5 3 2 1 1 3 10 8 1 1 1 1 1 1 3 0 1 1 2 4 3 10 5 5 7 4 7 2 2 2 2 1 3 4 1 2 5 6 4 7 4 11 6 2 2 2 1 1 1 5 2 2 1 1 2 1 1 2 1 3 1 6 51 3 2 8 22 9 8 5 10 16 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 1 1 4 2 3 2 2 24 8 4 2 1 1 1 0 1 1 1 1 1 10 56 7 2 1 0 1 1 1 1 1 4 5 11 3 11 18 12 10 2 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 d 1H J 88 | 43 42 dddt 1H J 16 31 70 84 | 37 36 t 4H J 38 | 33 32 t 4H J 53 | 21 20 m 5H | 10 9 dd 3H J 15 66 | 9 9 dd 3H J 15 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1NC1CCN(CC(F)F)CC1
ir: 4 9 8 6 3 5 2 8 3 12 15 13 24 18 16 17 6 24 13 20 37 13 8 10 20 12 4 12 9 6 3 8 4 3 4 6 9 29 23 16 35 29 71 19 18 15 10 9 8 3 10 15 17 3 8 15 7 6 6 3 5 0 5 11 6 3 4 4 4 3 11 9 15 10 7 12 3 7 3 3 6 6 13 7 12 4 2 6 3 8 4 2 3 4 2 1 3 3 6 8 2 15 9 5 5 7 15 8 2 5 2 3 3 3 3 3 3 4 5 6 6 4 4 9 3 38 89 12 8 9 12 8 8 8 11 26 26 14 19 18 43 10 21 15 40 16 9 28 51 22 19 5 11 12 21 100 10 10 8 5 14 5 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 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 2 3 2 2 3 2 5 3 9 12 3 17 29 31 8 5 1 3 2 1 2 2 1 2 1 3 3 2 3 6 5 26 8 4 9 10 10 59 32 19 10 7 69 42 6 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dd 1H J 21 34 | 84 83 m 2H | 75 74 dd 1H J 34 78 | 74 73 m 2H | 72 71 qd 2H J 14 88 | 69 69 d 1H J 95 | 65 64 s 2H | 62 62 t 1H J 41 | 58 57 dd 2H J 8 39 | 40 39 m 1H | 31 29 m 4H | 29 28 ddd 2H J 53 81 130 | 21 20 dddd 2H J 43 54 81 124 | 19 18 dddd 2H J 43 53 81 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(N)=CC#N
ir: 7 7 12 7 3 4 7 4 2 5 8 3 1 5 5 3 1 5 5 3 2 5 5 3 4 5 7 3 4 7 5 2 2 5 5 2 2 5 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 3 4 8 4 1 4 6 3 2 4 6 3 1 4 5 2 5 9 10 6 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 6 4 1 3 6 3 1 3 6 4 1 5 6 4 2 4 6 3 1 4 6 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 4 6 6 7 8 37 36 34 10 9 5 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 5 3 1 4 6 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 5 6 6 8 7 2 4 6 3 1 4 5 4 2 4 5 3 2 4 5 4 3 7 20 30 7 4 5 2 2 5 5 3 5 4 100 0 82 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 71 70 s 2H | 41 41 t 1H J 13 | 21 21 qd 2H J 13 60 | 11 10 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(Oc2ccc(/C=C/S(N)(=O)=O)cc2CN(C)C)cc1
ir: 1 14 7 5 5 9 8 5 9 5 4 2 1 1 1 1 2 2 2 1 1 1 4 1 2 9 3 1 1 2 1 1 2 1 1 1 2 3 2 1 1 2 2 0 1 2 2 3 2 2 4 3 18 25 16 11 4 4 3 3 3 5 3 2 5 2 4 27 4 6 2 4 4 2 4 5 7 8 16 31 19 13 12 39 75 70 32 100 57 21 11 13 8 4 2 6 4 4 5 4 13 11 5 3 5 4 7 6 3 4 3 4 6 6 6 14 38 29 27 27 19 9 7 6 6 3 6 2 6 2 3 3 3 2 0 2 2 1 1 2 2 1 1 2 4 4 22 13 6 5 5 3 6 2 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 2 2 1 1 1 1 0 1 2 2 3 3 3 5 13 10 9 18 39 18 11 7 3 2 2 1 0 1 2 1 0 2 3 1 1 6 12 22 10 10 16 6 65 94 22 17 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 s 2H | 76 75 m 1H | 75 74 dt 1H J 10 20 | 74 74 m 4H | 72 72 d 1H J 176 | 70 70 m 2H | 70 69 d 1H J 83 | 40 39 d 2H J 9 | 26 26 s 5H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)COc2cc(C(=O)OC)ccc21
ir: 4 3 4 7 11 4 4 2 2 2 2 2 2 2 2 1 1 2 2 3 9 30 10 4 1 1 2 2 1 1 1 3 3 1 1 1 2 3 2 5 1 1 1 0 1 1 1 1 2 3 2 0 2 2 5 14 24 1 3 4 2 1 1 1 1 2 6 13 11 24 2 1 1 1 5 2 1 2 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 2 1 1 1 1 2 19 8 2 1 1 2 1 17 11 7 3 6 8 7 4 8 41 3 11 5 4 1 0 1 2 1 4 3 1 0 1 1 1 0 0 3 5 23 12 1 1 3 13 1 1 10 1 10 1 1 1 0 0 1 1 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 1 1 1 2 0 1 2 1 2 2 1 1 1 1 2 1 5 16 5 4 100 13 1 5 2 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 20 81 | 75 74 d 1H J 20 | 73 73 d 1H J 81 | 47 47 s 2H | 40 39 q 2H J 77 | 39 39 s 3H | 12 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/CBr)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1
ir: 1 2 3 5 1 5 7 2 3 4 7 15 5 2 7 7 8 64 5 14 6 2 9 8 7 3 6 10 15 17 10 11 8 6 5 16 13 33 12 20 12 10 5 4 2 3 3 7 3 22 9 23 13 7 24 1 22 100 10 4 3 3 3 7 7 7 4 4 8 12 11 3 4 4 2 2 2 3 3 4 3 10 20 21 12 9 4 2 5 3 6 2 2 1 2 2 4 15 3 6 6 4 7 27 23 14 9 6 5 2 3 2 3 2 0 1 4 3 0 3 3 6 1 3 3 3 7 4 4 2 2 2 2 3 4 9 19 12 11 6 4 2 2 16 14 6 2 6 10 4 10 25 67 36 33 14 39 22 71 8 3 2 11 73 5 1 2 12 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 2 2 3 5 3 9 22 17 31 44 21 7 6 4 4 2 2 2 2 2 1 2 2 3 2 3 2 2 2 7 2 10 52 50 47 9 6 2 5 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 100 100 s 1H | 88 88 d 1H J 23 | 86 86 dd 1H J 17 41 | 85 85 s 1H | 81 81 s 1H | 79 79 d 1H J 82 | 79 78 td 1H J 16 74 | 77 76 dd 1H J 22 82 | 76 76 dq 1H J 10 74 | 74 73 m 2H | 73 73 dd 1H J 22 88 | 70 70 d 1H J 89 | 69 68 dt 1H J 28 152 | 62 62 dt 1H J 13 150 | 53 53 d 2H J 9 | 41 41 dd 2H J 14 28
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCc1c(Cl)ccnc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O
ir: 27 6 6 6 10 5 2 2 2 3 6 4 19 6 5 7 7 12 25 27 100 28 8 1 24 7 5 8 3 2 2 1 1 12 6 4 3 4 3 2 6 81 4 5 4 58 9 4 6 17 6 2 13 4 1 3 2 1 1 4 39 14 14 9 11 11 56 38 28 32 9 4 8 85 7 23 4 2 6 3 2 1 2 2 1 1 4 4 3 2 3 23 8 10 16 16 10 2 3 6 19 33 9 9 3 3 9 23 6 6 13 2 4 8 16 4 2 6 10 15 39 22 26 22 21 38 10 12 11 14 14 72 17 4 5 4 3 4 13 40 9 1 4 17 91 33 7 46 75 20 85 5 6 2 4 28 11 15 13 45 16 3 1 4 18 8 3 2 1 0 1 2 1 0 1 2 1 0 1 2 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 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 3 1 0 3 3 5 5 3 4 3 2 4 2 4 5 7 9 12 20 35 21 34 28 35 16 5 8 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 m 2H | 77 77 d 1H J 23 | 74 73 dd 1H J 22 121 | 71 71 d 1H J 40 | 55 55 s 2H | 21 21 s 3H | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)c(CO)c1I
ir: 1 4 17 22 5 4 5 2 1 4 5 3 3 3 5 3 2 10 9 7 2 4 4 2 4 8 5 4 4 7 6 2 1 4 4 1 2 4 3 1 2 4 4 3 12 10 7 1 2 5 3 1 2 4 3 1 3 6 5 3 5 9 7 16 21 19 5 3 6 9 17 13 8 5 4 1 6 19 5 12 7 11 22 8 9 12 69 51 95 8 4 4 8 6 6 5 7 7 5 4 5 4 0 3 5 14 9 3 6 4 1 4 6 3 2 5 18 13 40 24 25 12 9 12 7 6 7 12 63 7 11 4 4 4 3 6 5 2 2 4 4 2 2 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 3 4 4 2 4 9 14 6 4 8 8 7 6 9 6 5 10 9 18 66 100 46 13 5 4 6 4 2 3 5 3 2 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 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 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4; 1HNMR: 48 47 d 2H J 57 | 38 37 s 3H | 33 33 t 1H J 56 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2ccsc2C2CC(=O)C(C(C)=O)=C(O)C2)n1
ir: 1 1 1 1 2 1 2 2 3 1 1 5 3 3 16 10 4 3 0 2 2 3 2 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 3 2 9 2 2 2 2 1 1 2 0 14 4 4 1 4 1 3 8 1 1 3 1 2 3 1 1 1 2 2 1 4 4 4 3 4 6 6 1 6 9 2 6 4 1 1 0 2 11 2 2 11 7 15 3 0 29 5 3 1 3 4 11 3 2 2 8 3 2 2 8 3 1 1 1 3 1 1 2 4 6 4 2 4 5 1 2 1 5 1 1 3 1 1 1 2 2 1 2 7 6 2 2 3 1 2 3 13 3 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 2 29 15 1 43 1 0 1 1 1 0 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 1 3 3 4 3 2 4 5 13 100 12 11 13 16 5 3 2 1 1 2 5 2 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 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H | 75 74 d 1H J 62 | 74 73 d 1H J 62 | 67 66 dd 1H J 27 60 | 40 39 s 3H | 38 37 p 1H J 69 | 33 32 dd 1H J 68 154 | 30 30 dd 1H J 70 154 | 28 27 dd 1H J 70 151 | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(N)cccc1C(F)(F)F
ir: 20 11 11 10 19 15 43 22 10 16 17 11 7 4 11 4 3 6 8 3 5 17 10 6 4 6 6 2 2 5 6 3 2 4 5 2 3 5 7 3 10 5 5 9 3 8 7 23 16 14 7 3 4 6 4 2 5 7 3 2 4 6 14 6 6 5 4 2 3 4 2 2 6 5 5 4 16 8 12 5 3 3 3 3 3 3 9 5 12 3 3 3 1 7 25 3 6 8 17 29 8 10 2 3 5 3 1 2 4 3 2 5 12 5 2 5 23 26 18 9 4 3 2 3 3 3 3 4 4 2 2 3 3 2 2 3 3 5 5 5 7 3 3 2 3 6 9 92 33 0 1 10 41 100 59 10 11 5 7 79 15 8 3 6 3 0 2 5 2 0 2 5 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 5 2 2 3 3 2 1 3 3 2 2 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 2 2 4 4 1 3 4 3 3 3 6 4 4 6 8 22 35 39 6 4 2 4 3 3 2 3 4 3 1 2 3 2 3 8 26 34 6 5 7 4 2 4 4 2 3 12 43 29 67 3 4 3 3 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 72 dp 1H J 14 108 | 71 71 dd 1H J 75 109 | 67 67 dd 1H J 11 75 | 46 46 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.
C=CCC1(Cl)C(=O)CCCC1=O
ir: 9 9 2 5 3 1 1 2 2 1 3 5 5 2 22 11 8 3 5 5 4 9 22 13 4 6 3 6 7 39 20 2 4 9 12 4 3 1 3 2 4 1 1 1 1 2 3 5 2 1 1 1 2 5 13 2 1 2 2 2 1 2 3 2 4 7 3 4 10 7 19 29 44 16 8 4 1 2 4 4 3 3 3 2 5 3 1 1 1 2 8 4 6 2 1 2 2 1 0 4 16 5 4 9 8 6 8 8 3 2 5 6 9 14 9 20 31 54 14 13 18 84 32 28 16 4 8 14 5 2 2 2 3 5 1 2 3 7 8 20 7 6 50 48 100 18 6 3 3 3 3 3 2 1 1 1 2 0 2 2 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 2 2 1 1 1 2 3 6 9 20 20 9 13 2 14 14 6 30 52 28 28 17 10 3 8 21 11 4 5 5 11 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 ddt 1H J 75 114 167 | 53 52 dq 1H J 13 167 | 51 50 dq 1H J 13 112 | 27 26 m 3H | 27 26 d 1H J 71 | 26 25 dt 2H J 72 158 | 18 17 p 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(=O)C=CO1
ir: 1 21 41 5 1 5 11 5 0 6 9 16 5 11 10 4 1 6 9 3 2 7 8 3 3 10 19 9 3 9 8 2 4 13 12 3 3 8 6 2 4 8 6 4 36 40 22 4 37 100 29 10 10 13 7 3 17 38 16 3 9 12 5 0 6 10 4 1 7 11 5 4 20 17 8 3 9 12 5 3 10 12 3 2 8 8 2 3 8 8 3 4 11 11 6 9 20 48 17 13 13 9 3 4 10 7 8 11 13 7 2 5 10 5 2 5 12 10 4 14 13 8 10 12 11 4 2 7 13 8 2 7 12 8 30 27 11 6 3 7 8 3 8 24 81 57 12 18 17 3 5 8 7 2 4 8 6 4 15 17 9 3 4 9 5 1 4 9 5 1 5 9 5 1 5 8 4 1 5 8 4 1 5 8 4 2 6 8 3 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 2 3 7 6 2 3 7 6 2 4 8 6 2 4 8 5 1 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 1 5 8 4 2 6 8 4 2 6 7 3 2 6 7 3 3 6 7 3 3 7 6 3 3 7 6 3 4 7 6 2 4 8 7 3 5 8 9 11 7 8 6 4 9 11 16 12 39 76 52 34 25 29 7 3 6 8 4 2 6 8 4 2 6 7 4 2 6 7 3 3 6 7 3 3 6 6 3 3 6 6 3 3 7 6 2 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 1 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 6 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7; 1HNMR: 70 70 dd 1H J 18 77 | 51 51 dt 1H J 9 75 | 47 46 hd 1H J 18 58 | 28 27 ddd 1H J 8 59 152 | 25 24 ddd 1H J 9 60 152 | 13 13 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CO)COC(=O)N1
ir: 16 7 1 7 10 5 1 12 19 6 6 17 38 38 43 60 26 8 5 9 8 4 9 15 11 7 4 6 6 2 2 6 5 2 2 6 5 1 3 6 6 2 3 7 4 2 4 8 4 3 6 10 8 3 5 7 6 1 4 7 3 0 4 6 3 2 4 6 3 8 10 6 3 1 4 6 3 2 5 5 3 4 7 7 7 24 43 33 22 23 12 11 9 12 13 9 2 5 6 5 1 3 6 4 1 3 6 5 1 3 7 4 1 4 7 18 11 15 13 17 10 6 7 5 1 5 8 4 3 5 7 7 12 5 6 2 2 5 5 2 2 4 5 2 2 5 4 2 2 5 10 3 6 17 33 100 20 7 4 1 3 5 4 1 3 6 4 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 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 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 3 6 5 5 6 8 5 4 6 9 5 2 4 6 5 4 5 13 11 6 5 7 6 4 5 7 6 10 20 59 79 7 5 8 5 2 6 8 3 5 6 7 6 4 74 25 28 14 6 7 5 4 6 5 3 4 5 5 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 2 2 4 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 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 68 68 s 1H | 44 43 d 1H J 115 | 41 41 d 1H J 114 | 40 39 t 1H J 52 | 39 39 dd 1H J 51 115 | 36 35 dd 1H J 51 115 | 19 18 dq 1H J 69 146 | 17 16 dq 1H J 67 143 | 9 9 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(-c2csc(N3CCNCC3)n2)c1
ir: 8 9 9 12 8 8 9 8 7 8 9 8 7 9 9 9 8 11 9 8 9 9 12 13 16 16 8 13 10 10 10 9 8 10 23 9 18 10 9 12 8 9 10 12 10 32 11 25 24 12 10 11 8 10 11 20 19 12 11 14 18 11 10 8 10 9 10 19 26 20 11 10 13 9 8 8 9 10 10 11 11 9 8 8 9 11 10 8 11 13 12 9 10 9 13 11 12 11 9 8 9 15 9 9 11 36 8 9 10 9 10 10 17 35 34 29 17 23 9 16 36 14 11 13 14 17 16 18 14 10 10 8 10 8 11 12 53 27 16 10 10 11 12 12 9 8 8 8 8 8 8 9 12 9 12 0 27 7 7 9 8 6 8 12 10 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 9 8 7 8 8 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 8 8 7 8 8 8 7 8 8 7 8 8 8 7 8 8 9 8 8 9 8 7 8 9 9 9 11 15 16 16 17 18 10 11 13 9 12 18 25 26 33 100 35 17 12 11 8 9 8 8 9 8 10 9 8 10 9 8 9 13 13 41 19 10 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8; 1HNMR: 78 78 ddd 1H J 11 23 84 | 76 75 dt 1H J 22 121 | 75 75 td 1H J 51 81 | 72 71 dddd 1H J 11 22 77 100 | 71 71 s 1H | 37 35 m 4H | 30 29 m 4H | 21 21 p 1H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1coc2nc(N)nc(N)c12)c1ccc2ccccc2c1
ir: 5 4 3 4 8 4 2 3 5 6 7 4 2 2 4 2 4 2 3 7 8 4 11 2 3 7 3 6 3 4 1 5 2 2 1 2 2 3 7 4 48 35 40 10 2 7 7 4 4 1 2 2 2 5 4 7 1 2 4 3 2 2 1 1 2 1 1 2 2 3 1 11 2 0 5 5 3 3 2 2 2 1 1 1 1 1 0 1 2 3 5 3 2 1 1 1 1 2 2 2 3 2 1 5 9 4 1 0 1 1 1 0 1 1 3 1 2 2 1 1 1 0 1 1 1 7 2 5 4 2 2 2 2 1 2 4 3 3 1 2 2 4 9 15 21 29 11 4 5 5 11 18 4 4 9 24 100 16 8 3 2 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 0 1 1 1 1 1 2 0 3 7 19 4 3 2 1 1 1 1 1 1 0 1 1 0 1 3 4 19 36 10 4 1 1 1 1 2 2 2 2 18 58 21 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 75 75 d 1H J 9 | 74 73 m 2H | 72 71 t 1H J 23 | 68 68 dd 1H J 21 78 | 67 67 s 2H | 64 64 s 2H | 46 46 d 2H J 10 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c[nH]c2ccc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)cc3)cc12
ir: 9 8 2 11 4 16 10 8 2 12 9 4 3 5 16 6 6 5 2 5 3 18 15 60 3 3 2 2 4 18 10 8 20 25 27 43 31 33 35 19 10 5 7 12 9 6 5 2 4 11 6 24 57 25 31 5 9 29 10 8 4 2 2 2 4 6 19 25 11 13 16 3 2 3 5 7 22 16 8 2 3 3 4 8 5 2 3 2 5 6 9 8 29 75 16 8 15 6 14 4 19 16 26 10 56 35 2 31 37 12 12 6 9 17 7 6 11 8 36 33 31 15 26 8 3 5 14 5 3 5 2 8 8 43 29 2 5 4 7 3 9 30 38 30 7 14 58 6 44 39 56 22 13 7 25 7 1 5 3 3 3 2 3 2 2 7 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 5 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 1 1 1 3 4 2 2 3 2 5 4 2 5 1 4 21 6 13 16 18 28 27 39 33 32 25 13 11 21 100 28 7 4 2 1 1 1 3 1 1 3 0 1 2 1 3 7 36 31 10 3 2 3 2 3 3 2 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 23 | 79 77 m 6H | 75 75 d 1H J 84 | 52 52 s 1H | 37 37 m 9H | 10 10 m 2H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CNc2nc(-c3cnn4ccncc34)ncc2Cl)nc1
ir: 2 3 3 8 8 2 4 3 6 8 1 2 3 6 11 7 2 2 2 2 2 1 4 2 0 1 2 3 8 2 2 4 3 6 2 1 2 9 19 68 8 4 4 2 1 1 1 5 4 5 2 5 5 6 6 6 2 1 1 1 1 1 1 0 1 2 1 4 1 2 6 2 1 1 1 1 0 0 0 1 1 1 3 1 1 1 2 3 2 2 3 1 1 1 1 1 2 8 3 2 1 1 1 2 1 1 4 2 16 3 1 1 1 1 1 1 1 1 1 2 10 3 3 16 4 2 1 3 2 1 1 1 3 5 5 35 4 2 3 3 7 4 1 3 6 6 9 2 5 5 16 11 15 11 11 5 6 100 3 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 1 1 2 1 3 4 5 3 3 5 2 1 1 0 0 1 1 0 1 1 1 0 1 3 1 1 2 3 2 20 34 6 4 5 2 0 2 2 0 0 1 1 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: 91 91 d 1H J 9 | 90 90 s 1H | 87 86 m 2H | 84 83 dd 1H J 17 140 | 81 80 s 1H | 75 74 m 2H | 66 66 t 1H J 53 | 50 49 dd 2H J 8 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C(=O)NC2CCCCCC2)c1
ir: 8 7 0 7 1 8 4 4 3 3 2 2 1 4 2 3 2 2 2 2 3 2 7 9 2 2 2 2 4 4 3 2 3 2 1 5 5 5 22 100 11 6 7 3 4 5 5 5 16 6 2 4 1 2 2 1 1 1 1 1 2 1 1 1 1 1 2 6 3 5 1 1 2 1 1 1 8 8 3 2 1 4 5 1 3 17 3 1 1 2 1 1 1 1 1 16 2 1 0 1 1 1 0 1 4 5 10 2 3 2 1 4 8 7 5 4 2 1 3 2 1 3 1 1 2 1 1 1 2 2 1 4 6 9 6 4 2 2 4 11 7 2 1 5 11 65 20 49 14 4 1 2 7 18 46 11 2 5 25 40 4 1 3 59 3 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 1 1 1 1 1 2 2 1 2 2 2 3 3 2 3 1 11 6 8 26 9 3 1 2 2 1 0 1 1 0 1 1 1 1 2 4 5 9 20 4 3 3 6 17 21 12 7 6 5 45 24 3 2 3 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 2 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 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 ddd 1H J 12 22 82 | 74 73 t 1H J 81 | 73 72 t 1H J 22 | 71 70 d 1H J 86 | 69 68 ddd 1H J 12 21 79 | 43 43 s 2H | 35 34 dp 1H J 60 86 | 18 17 m 2H | 17 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSCN(c1ccc(CN2CCN(Cc3ccccc3)C(=O)C2=O)cc1)c1ncccn1
ir: 4 3 4 4 2 5 6 4 3 7 8 3 6 21 9 12 2 7 5 9 3 7 5 4 5 8 5 7 9 11 10 13 5 5 3 4 4 7 6 10 39 9 5 0 2 6 4 1 2 5 6 3 37 41 23 14 16 11 13 29 6 6 3 6 12 7 2 1 4 11 3 1 4 15 8 15 12 10 6 2 3 4 4 8 6 5 3 8 10 23 3 5 7 8 19 8 5 12 8 7 8 6 3 3 5 6 13 18 13 6 5 4 4 3 4 11 15 7 3 6 13 6 7 7 6 3 2 11 7 9 5 5 9 5 17 66 21 9 4 4 5 5 13 15 38 30 13 11 7 11 16 33 20 29 100 10 6 7 3 3 3 4 4 14 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 3 1 2 3 2 2 2 3 3 4 3 4 3 2 4 5 3 7 13 12 39 46 64 29 8 3 3 2 3 3 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 84 83 d 2H J 44 | 74 72 m 8H | 71 71 m 2H | 66 65 t 1H J 45 | 45 45 q 4H J 9 | 42 42 s 2H | 36 35 s 3H | 26 26 q 2H J 61 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)c2c1OC(C)(C)C2
ir: 7 3 7 8 4 7 5 3 2 3 4 2 1 1 4 2 1 8 7 13 3 8 12 2 1 1 2 1 1 1 1 2 7 16 5 4 2 1 1 1 1 3 3 3 1 1 1 1 1 1 1 4 3 5 44 20 33 10 5 4 3 1 7 2 6 11 4 0 4 2 2 1 8 6 0 2 5 2 1 1 2 1 6 4 27 6 18 13 8 7 6 3 3 2 2 4 6 11 29 100 7 7 7 2 4 1 1 2 3 3 7 13 66 10 2 2 4 3 4 3 6 9 4 6 4 8 7 12 11 11 7 4 1 1 1 2 4 2 3 3 1 1 0 1 1 1 2 2 4 6 42 19 6 2 2 1 1 1 1 1 0 1 2 33 2 0 1 1 1 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 3 2 2 2 2 3 1 2 1 2 2 2 4 12 10 15 27 51 10 11 2 4 2 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dq 2H J 14 68 | 70 69 m 2H | 39 38 s 3H | 34 33 m 2H | 34 33 s 7H | 30 29 s 2H | 22 22 s 3H | 20 19 s 3H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1ccc(C(=O)OC)c2ccccc12
ir: 10 20 19 17 12 9 20 8 5 3 1 4 3 2 5 6 5 16 2 1 3 3 6 4 4 13 11 5 2 2 2 1 3 2 2 1 1 3 4 6 7 5 29 67 71 4 2 4 2 0 3 5 17 22 22 12 7 5 2 1 2 2 2 2 1 1 3 6 9 3 4 8 16 23 5 5 5 4 1 2 1 2 4 2 3 3 13 4 2 6 5 2 2 3 2 4 13 19 8 3 3 7 6 3 4 9 12 13 7 2 9 8 2 4 3 3 2 5 27 42 14 4 3 4 5 2 2 3 3 4 4 12 4 5 4 8 30 35 8 4 6 19 40 90 22 3 2 5 6 7 14 35 22 7 3 2 3 6 7 7 4 4 14 6 2 3 4 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 2 1 2 1 2 2 3 5 3 2 10 26 8 12 9 6 19 22 100 57 82 20 19 9 8 10 7 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 m 1H | 81 80 m 1H | 80 79 d 1H J 86 | 75 74 dtd 2H J 14 77 258 | 72 72 dq 1H J 8 86 | 59 58 ddt 1H J 75 101 169 | 52 51 m 1H | 50 49 m 1H | 39 39 s 2H | 35 35 dtd 2H J 8 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(N2N=C(C=Cc3ccccc3)NN2)c1
ir: 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 2 2 1 1 2 3 2 1 2 3 3 2 6 18 3 2 3 6 10 6 4 5 3 38 56 6 5 2 9 53 42 14 0 9 7 41 11 2 2 10 6 2 2 2 3 3 3 4 7 16 15 10 5 4 5 5 2 8 15 13 7 6 3 6 3 2 1 3 6 3 2 11 8 6 3 6 18 10 29 26 4 3 3 19 3 2 2 4 6 9 2 3 2 2 2 3 11 9 5 3 3 2 3 3 3 3 3 4 3 3 3 4 3 3 12 18 5 2 6 3 5 3 16 43 7 12 31 25 32 16 6 3 1 2 6 4 4 3 7 5 3 2 2 2 3 3 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 3 6 3 4 10 23 15 100 67 19 6 5 3 1 2 3 4 55 34 5 3 3 3 3 3 2 2 2 2 2 2 11 24 19 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 90 90 d 1H J 33 | 77 76 m 2H | 76 75 ddd 2H J 12 35 67 | 74 73 m 3H | 73 72 m 1H | 72 71 m 2H | 70 70 d 1H J 161 | -19 -19 d 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)N(C)N=Cc1cccc(F)c1F
ir: 1 2 1 1 2 2 2 5 6 6 6 5 0 2 3 3 2 4 6 6 5 5 2 1 0 1 2 1 0 1 1 0 0 1 2 2 9 4 2 3 4 3 5 1 1 4 12 46 22 2 1 3 1 1 2 4 2 1 1 1 1 0 1 6 2 5 2 1 1 1 1 2 1 2 6 1 5 0 1 2 3 2 2 4 13 17 8 2 2 1 0 0 2 5 7 0 2 1 0 0 1 1 3 4 1 1 2 5 7 7 4 8 22 7 5 5 4 10 3 3 1 5 4 2 3 2 1 4 12 7 10 4 3 4 6 13 4 1 1 17 33 1 1 3 31 100 4 0 0 1 2 0 0 1 1 7 2 2 1 1 1 10 4 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 1 1 1 1 1 2 1 1 2 3 4 12 12 9 4 27 18 3 3 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 36 | 76 75 ddd 1H J 15 30 82 | 74 73 td 1H J 52 82 | 73 72 dddd 1H J 12 37 86 99 | 42 41 q 2H J 61 | 29 29 s 3H | 14 14 s 5H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc2[nH]c(C(O)CN3C(=O)c4ccccc4C3=O)cc12
ir: 8 13 9 14 8 7 6 9 5 8 10 21 14 12 4 11 6 7 4 5 7 6 7 5 3 6 8 6 5 5 5 8 17 7 9 5 19 97 38 44 29 40 42 8 7 33 18 6 5 6 8 4 4 7 6 4 3 6 4 8 7 11 3 2 3 5 5 7 12 12 32 20 40 38 13 6 9 6 3 3 12 7 4 9 7 7 13 17 24 14 17 65 34 44 42 22 17 5 5 4 4 3 3 3 2 2 4 4 5 4 3 6 12 11 3 5 6 3 4 23 43 24 24 15 22 19 12 7 3 4 5 2 58 13 12 10 8 12 20 4 2 2 2 1 2 3 9 7 4 2 4 2 5 27 100 71 73 58 50 51 13 6 5 4 2 0 2 3 2 0 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 3 2 2 2 3 4 3 3 4 3 2 4 5 4 7 6 15 20 31 33 55 22 19 19 36 16 57 15 7 5 4 2 3 2 2 2 3 2 3 4 5 10 10 22 22 46 33 18 3 5 3 4 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1; 1HNMR: 91 91 s 1H | 83 83 d 1H J 46 | 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 68 68 d 1H J 45 | 65 64 t 1H J 6 | 55 54 td 1H J 36 43 | 54 53 d 1H J 40 | 45 45 dd 1H J 37 149 | 43 42 dd 1H J 37 149 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(NC2CCCC2)cc(-c2nc(-c3ccc(F)cn3)no2)c1
ir: 5 4 3 2 2 12 5 2 3 3 13 6 4 6 3 2 3 6 4 4 10 44 12 7 4 3 2 2 2 2 1 1 1 1 2 5 7 3 2 1 1 2 3 2 1 1 1 1 1 1 1 2 3 9 3 2 2 1 1 3 2 2 2 2 3 1 4 18 17 32 3 1 3 2 1 2 3 2 1 0 1 1 0 1 1 2 1 1 1 10 2 1 3 1 1 1 1 2 6 2 5 2 2 1 1 10 7 3 7 4 2 2 2 1 2 1 2 2 4 1 4 10 5 5 2 3 1 4 33 6 11 4 1 2 1 1 2 14 4 12 11 7 27 27 3 100 4 7 3 0 5 2 2 1 1 2 1 0 2 5 3 2 2 8 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 4 3 17 33 28 16 4 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 4 1 2 15 45 28 24 11 4 5 2 5 2 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 dd 1H J 19 140 | 81 80 t 1H J 22 | 80 80 dd 1H J 47 90 | 77 76 ddd 1H J 18 90 101 | 73 73 t 1H J 22 | 72 72 t 1H J 22 | 43 42 d 1H J 68 | 37 36 dp 1H J 35 70 | 20 19 m 2H | 18 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncc(C=C2CCCCC2)c(Cl)n1
ir: 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 2 4 2 3 2 1 2 2 1 1 2 2 2 2 3 3 4 3 5 4 18 52 17 8 4 3 5 6 8 6 3 2 2 4 4 2 2 3 3 4 3 3 3 6 1 3 3 2 4 5 2 2 1 1 2 2 2 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 3 2 2 2 2 2 1 1 2 2 1 3 3 3 3 2 2 2 2 2 3 3 8 13 5 2 4 2 1 2 2 4 3 2 4 8 21 3 2 2 1 2 3 2 1 6 11 3 1 6 7 11 100 5 16 9 5 0 0 3 3 0 2 4 5 7 3 4 2 1 1 3 3 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 3 4 2 2 2 2 2 2 4 7 6 6 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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: 85 84 s 1H | 70 69 q 1H J 11 | 25 24 dddd 4H J 9 57 71 199 | 17 16 m 2H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)Cc2ccnc3ccc(Br)cc23)n1
ir: 0 1 3 4 20 6 2 4 0 1 2 2 0 2 4 4 1 1 2 1 5 3 2 7 2 6 3 7 1 2 1 2 9 2 2 1 1 3 1 1 14 6 2 4 3 3 20 19 3 3 5 1 1 3 3 7 77 1 2 1 1 1 1 1 3 3 3 1 2 4 13 7 8 5 7 22 5 2 2 3 14 10 11 1 4 4 1 1 2 2 1 1 6 11 5 19 2 1 1 1 1 2 1 4 5 1 0 2 1 2 2 6 4 2 1 1 3 1 1 3 5 3 4 6 4 6 15 6 5 4 3 3 3 2 3 4 7 53 6 3 1 1 1 1 3 2 3 5 10 12 11 4 5 2 3 100 14 4 6 35 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 2 2 1 1 2 2 2 2 3 3 1 2 3 3 6 8 6 17 79 72 11 3 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 d 1H J 46 | 82 81 d 1H J 26 | 80 79 d 1H J 84 | 78 77 m 3H | 74 73 m 2H | 47 47 d 2H J 10 | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1C(=O)C(O)(c2cc3c(cc2O)OCO3)c2c(Br)cccc21
ir: 12 9 8 6 4 2 5 4 1 4 2 5 3 2 2 2 1 3 2 4 3 2 2 3 8 2 2 11 1 3 5 9 1 3 3 4 29 14 10 6 4 11 3 3 4 4 6 14 25 5 2 2 4 4 7 5 3 2 10 4 5 3 10 13 23 100 25 37 29 10 3 3 5 3 7 3 7 2 9 8 28 49 47 27 28 15 23 27 13 13 5 15 4 5 2 4 2 2 3 12 13 18 21 16 4 27 18 5 13 8 11 4 4 6 4 9 22 11 7 6 5 4 18 3 3 2 0 4 2 3 1 2 4 1 0 2 2 6 3 18 7 6 1 2 2 0 0 6 13 82 5 1 4 12 6 7 10 7 12 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 3 3 3 2 2 2 2 2 3 4 12 23 9 91 67 15 3 0 4 18 52 42 25 4 4 2 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 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 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; 1HNMR: 89 89 s 1H | 76 75 dd 1H J 12 74 | 73 72 dd 1H J 66 73 | 70 70 dd 1H J 11 66 | 68 68 s 1H | 65 65 s 1H | 59 59 m 2H | 48 48 s 1H | 40 38 m 2H | 18 17 m 2H | 14 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(CC(=O)Nc4ccncc4N)C3=O)cc2c1
ir: 3 5 10 11 4 8 10 12 10 12 17 32 10 6 10 6 4 8 8 15 22 27 6 12 3 16 13 8 0 5 8 2 4 5 4 2 3 12 11 6 16 10 15 12 37 14 10 9 9 30 15 8 22 9 8 3 8 10 25 5 21 7 7 5 3 8 13 35 8 16 8 40 35 15 8 4 5 4 4 6 17 9 12 11 5 8 33 8 4 17 8 5 11 4 3 3 5 6 6 11 10 12 4 4 7 14 25 35 35 15 20 15 9 6 4 3 8 3 2 7 12 11 14 13 7 4 2 4 5 7 1 5 6 1 2 3 7 10 43 7 4 1 3 4 3 0 1 14 32 6 7 29 51 10 3 6 5 8 8 12 56 12 12 13 4 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 3 1 2 5 5 1 3 5 3 3 4 6 4 1 14 13 10 16 22 6 9 3 3 4 3 1 3 4 2 2 3 4 2 2 3 12 11 4 18 15 17 5 7 29 32 7 13 18 100 17 3 4 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 96 96 s 1H | 85 84 t 1H J 22 | 82 81 dd 1H J 14 47 | 81 80 m 1H | 80 80 d 1H J 14 | 79 79 dd 1H J 21 90 | 77 77 m 1H | 76 76 d 1H J 46 | 73 72 t 1H J 23 | 71 70 dd 1H J 24 84 | 65 64 d 1H J 101 | 45 45 s 2H | 43 42 dddd 1H J 18 33 52 103 | 42 41 d 1H J 143 | 41 41 d 1H J 143 | 39 38 s 3H | 36 35 ddd 1H J 55 74 129 | 35 34 dddd 1H J 18 56 73 129 | 23 22 dddd 1H J 33 55 73 119 | 18 17 ddt 1H J 54 75 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=C(c1ccccc1)c1ccc2[nH]nc(C)c2c1
ir: 2 1 2 2 3 7 5 2 2 2 6 4 14 47 3 3 3 1 5 3 2 2 5 1 2 1 5 2 3 9 6 12 7 18 38 13 11 7 10 8 3 25 17 5 3 1 1 2 2 1 9 4 4 10 10 27 3 2 2 2 3 4 2 4 3 2 3 11 17 10 20 3 2 5 6 12 16 7 3 2 2 1 1 1 4 4 1 1 1 1 12 4 1 1 2 5 8 47 7 9 7 3 2 2 1 3 1 9 23 23 45 8 4 3 7 6 6 4 3 2 8 7 12 6 5 4 4 6 5 3 4 8 11 4 4 55 13 5 16 4 1 2 5 17 29 14 13 2 2 3 1 2 8 6 4 32 6 9 12 3 1 2 5 7 8 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 2 2 1 1 1 2 2 2 2 3 4 5 5 15 16 32 36 74 49 36 7 5 6 5 3 2 2 3 2 2 1 0 1 1 1 1 1 2 4 2 2 3 2 8 100 7 5 2 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 t 1H J 10 | 77 76 m 2H | 76 75 m 2H | 74 74 m 3H | 64 63 s 1H | 42 41 q 2H J 61 | 30 29 s 3H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccccc1-c1cccc(CN2CCOC(c3ccccc3)C2)c1
ir: 1 1 1 1 1 1 1 1 0 1 1 1 2 4 1 3 1 1 1 1 1 1 1 1 0 1 1 0 1 2 6 4 3 2 1 1 0 2 3 5 15 7 5 11 2 1 3 6 8 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 3 3 4 2 2 1 1 2 5 1 1 5 3 4 5 3 1 1 1 1 1 8 3 2 2 1 1 1 2 6 3 5 13 9 1 1 2 5 2 1 1 1 2 4 1 1 1 0 1 1 1 1 2 1 1 1 3 3 1 1 1 1 2 4 1 1 1 2 11 7 6 4 19 1 1 3 8 4 1 1 4 12 2 1 0 4 1 0 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 2 1 1 1 2 4 2 9 100 13 5 2 0 1 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; 1HNMR: 79 79 dd 1H J 12 68 | 77 76 ddd 1H J 13 66 104 | 76 75 m 2H | 75 75 ddd 1H J 13 20 77 | 75 74 m 2H | 74 73 m 6H | 50 50 t 1H J 32 | 39 39 ddd 1H J 31 58 104 | 38 38 ddd 1H J 31 58 104 | 37 36 m 2H | 32 32 dd 1H J 33 123 | 30 29 dd 1H J 32 122 | 28 27 ddd 1H J 31 58 124 | 27 26 ddd 1H J 31 58 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2csc(N(C(C)=O)c3cc4ccccc4cn3)n2)cc1OC
ir: 2 2 2 2 2 2 1 2 8 9 3 2 2 2 3 2 3 1 2 3 2 3 1 3 3 1 1 2 2 2 1 3 2 1 2 1 2 5 3 1 8 5 10 40 6 4 2 8 15 3 2 3 4 1 16 8 7 4 3 3 4 6 4 7 7 6 9 19 17 18 18 29 19 3 8 27 16 4 4 2 2 0 2 2 3 4 3 2 1 4 10 5 2 1 3 2 2 30 3 2 0 2 4 6 26 18 9 5 2 2 1 1 1 2 2 3 2 5 9 9 14 5 4 2 3 7 10 8 9 10 8 25 10 4 3 11 19 29 6 4 2 4 3 4 5 3 3 1 3 8 6 18 17 8 21 1 2 3 1 1 1 2 1 1 6 8 1 1 1 1 1 0 2 7 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 2 6 3 2 1 1 3 3 1 3 6 6 1 13 12 26 18 54 100 61 18 7 7 3 4 2 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 d 1H J 20 | 80 79 m 1H | 78 78 dt 1H J 21 67 | 77 77 m 1H | 76 75 m 2H | 75 75 s 1H | 73 73 dd 1H J 17 89 | 73 73 d 1H J 17 | 70 69 d 1H J 88 | 39 38 d 6H J 22 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CNC(=O)c1cc(Br)ccc1N
ir: 4 5 4 4 5 5 5 5 7 6 9 8 18 10 11 9 8 9 7 8 4 15 16 24 7 18 10 8 8 7 12 6 5 4 4 6 6 4 4 5 8 39 72 100 24 9 5 7 6 5 4 6 7 21 28 3 6 6 4 3 4 5 5 4 5 6 5 4 5 5 6 4 3 5 5 4 6 7 5 4 5 7 4 6 11 7 4 4 4 4 9 4 5 7 6 5 4 4 3 4 7 13 9 4 3 3 3 3 4 4 8 4 3 4 4 5 3 4 7 6 5 7 5 5 6 4 4 4 4 4 3 3 4 3 3 4 8 34 4 7 15 9 11 15 11 49 12 28 8 21 7 34 7 19 8 1 28 83 55 21 7 0 7 47 6 8 4 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 4 4 4 4 4 5 4 5 4 6 6 4 22 40 18 9 6 6 5 3 4 4 4 3 4 5 5 3 5 7 4 39 49 5 8 9 9 20 52 14 9 9 14 72 65 15 10 7 6 3 5 4 3 3 4 4 3 3 3 4 4 4 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 79 d 1H J 24 | 77 76 t 1H J 58 | 74 73 m 2H | 72 72 td 1H J 17 76 | 70 70 td 1H J 10 77 | 69 69 dd 1H J 10 75 | 68 68 s 2H | 67 67 d 1H J 75 | 46 46 dd 2H J 9 58 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCC2CCCCC2N1
ir: 2 1 3 2 1 2 4 1 4 3 1 4 6 8 8 4 5 3 3 6 6 8 21 17 7 3 3 2 2 1 2 2 3 2 2 3 3 2 5 4 7 11 10 7 4 0 4 8 5 3 2 8 5 1 2 4 3 1 4 3 2 1 1 1 1 1 2 3 1 1 2 2 3 2 3 5 5 9 11 23 11 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 5 2 3 4 3 5 7 4 8 5 4 9 6 8 5 9 2 5 4 5 8 6 5 2 7 3 4 5 2 4 6 4 2 2 6 13 6 2 2 3 5 3 8 3 3 2 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 1 2 6 6 1 1 2 1 0 1 2 1 2 4 11 100 92 8 1 4 3 1 3 5 8 30 38 24 5 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 39 38 dd 1H J 69 79 | 38 37 dt 1H J 53 81 | 29 29 ddt 1H J 38 53 70 | 21 20 m 1H | 18 17 m 3H | 17 13 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1C(OC(N)=O)CCC(O)(CSC)C1C1(C)OC1CC=C(C)C
ir: 6 5 4 2 2 8 3 3 5 7 7 9 26 3 5 4 4 2 3 5 6 5 5 2 1 3 2 1 2 2 12 2 3 4 2 2 3 6 3 5 4 36 8 2 7 10 2 2 2 2 1 3 3 2 2 5 2 1 5 2 4 6 3 2 2 7 5 4 6 3 8 8 4 5 9 6 10 4 2 16 3 4 2 3 6 1 2 2 1 1 4 2 2 13 14 7 4 12 8 3 4 2 2 1 1 2 5 6 5 6 7 4 3 3 3 5 5 16 14 13 4 8 8 6 7 2 4 7 5 3 2 3 3 2 2 4 2 2 1 1 1 1 1 1 1 1 1 23 4 2 2 2 1 1 1 1 3 11 60 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 2 1 1 1 1 1 2 1 1 1 1 2 2 2 2 2 2 4 5 3 2 5 3 4 5 5 11 28 17 11 3 2 2 3 5 2 0 24 100 20 5 2 0 1 2 1 1 9 2 1 1 1 1 1 1 1 1 1 1 2 28 6 4 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 52 51 th 1H J 16 65 | 51 51 q 1H J 52 | 44 43 ddq 1H J 15 55 84 | 43 43 s 2H | 34 33 d 3H J 16 | 28 27 m 3H | 27 26 dq 1H J 15 79 | 25 25 d 1H J 137 | 25 24 m 1H | 23 22 m 1H | 21 19 m 5H | 19 18 ddd 1H J 57 87 134 | 17 16 m 8H | 12 12 t 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2ccc(OS(=O)(=O)C(F)(F)F)cc2oc2cc(N3CCCCC3)ccc12
ir: 6 5 3 4 4 7 8 8 2 49 18 2 5 4 2 2 1 2 2 1 8 2 3 6 1 2 7 3 12 7 2 1 1 2 1 2 2 3 2 2 1 3 2 2 29 5 3 0 2 10 17 6 10 3 3 2 5 30 3 1 3 3 9 2 2 7 6 21 16 27 62 71 9 1 1 1 1 2 1 1 1 1 1 1 7 81 24 26 7 11 3 5 3 3 7 3 3 19 12 4 2 2 1 2 2 1 1 3 3 2 3 3 8 20 2 4 5 5 1 2 3 3 6 2 2 2 4 2 2 5 8 13 3 2 3 3 2 1 1 1 1 4 2 2 1 0 0 2 3 6 2 4 24 5 14 2 12 3 2 2 2 3 30 4 19 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 1 2 2 2 3 5 9 18 100 39 20 6 0 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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: 81 81 d 1H J 86 | 77 77 d 1H J 79 | 72 72 dd 1H J 24 86 | 71 71 d 1H J 23 | 68 67 dd 1H J 21 80 | 67 66 d 1H J 22 | 34 34 m 4H | 17 16 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(Br)C(N)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
ir: 1 1 1 1 1 1 2 1 1 1 3 5 4 2 5 9 4 5 2 4 13 6 8 7 2 3 2 7 7 3 5 3 2 8 11 2 1 2 2 1 3 4 3 9 9 9 6 2 3 2 2 3 3 2 12 11 3 2 1 3 2 1 2 2 3 2 3 1 1 2 3 2 1 2 1 0 3 3 2 1 3 2 1 1 1 2 4 2 3 4 1 1 2 2 2 1 1 2 10 17 5 7 0 1 2 1 1 1 2 1 1 3 14 4 0 4 5 2 3 3 3 2 1 4 3 3 4 7 2 1 1 1 1 0 0 2 2 6 1 2 1 1 0 8 54 100 11 2 6 11 7 5 5 9 4 3 4 25 26 8 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 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 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 6 4 1 2 5 6 3 15 9 13 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 6 8 2 3 7 5 4 7 11 13 14 9 4 14 11 3 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 1 1 1 1 1 1 1 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: 80 79 t 1H J 57 | 78 78 dt 1H J 9 20 | 76 76 dq 2H J 15 75 | 75 74 dt 2H J 9 71 | 73 72 ddt 1H J 9 20 87 | 70 69 d 1H J 87 | 65 64 s 2H | 46 45 dt 2H J 9 57 | 43 42 t 1H J 72 | 38 38 s 2H | 33 33 ddt 1H J 9 73 148 | 31 30 ddt 1H J 9 72 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ncc(Br)cc1/C=C/c1ccc(C(F)(F)F)cc1
ir: 3 1 6 2 0 2 5 7 4 2 2 1 0 7 7 11 5 3 2 3 2 3 3 1 7 3 2 1 1 2 4 3 1 42 22 5 18 100 10 3 1 2 1 3 1 1 1 1 1 1 2 4 15 12 28 7 4 1 2 1 11 2 6 35 4 3 6 4 3 1 4 1 4 9 44 7 2 2 1 1 1 3 8 1 1 2 9 11 12 13 1 1 2 4 1 2 1 17 13 9 16 7 1 2 2 8 8 2 3 1 3 3 82 4 1 2 2 1 1 4 5 6 2 3 7 13 26 18 5 22 73 52 13 9 29 7 2 1 2 5 3 3 2 4 32 2 1 3 8 3 2 5 26 7 2 2 2 10 5 3 1 0 1 1 1 1 2 3 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 4 10 26 22 73 53 12 6 5 4 2 1 2 1 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 dd 1H J 16 33 | 80 79 t 1H J 20 | 78 78 dq 2H J 13 110 | 77 76 m 2H | 73 72 dd 1H J 35 177 | 72 72 d 1H J 174
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)N(CCN1CCC(N)CC1)C(=O)CO2
ir: 15 11 11 18 12 14 4 15 22 5 5 6 1 3 4 4 6 13 15 10 11 9 7 22 32 31 27 5 6 8 9 9 6 4 4 3 2 8 12 5 6 7 5 9 9 9 9 8 31 81 47 83 71 61 47 21 7 30 52 19 33 23 9 3 14 20 34 100 83 14 13 49 26 14 64 31 13 91 45 23 43 28 11 8 3 3 30 47 7 8 6 5 9 3 12 7 3 4 8 11 6 14 22 12 4 6 16 14 11 12 4 8 5 5 5 4 4 8 11 15 15 14 6 29 12 30 34 25 47 31 42 27 31 12 40 84 42 13 6 8 2 6 5 5 4 17 14 44 41 12 7 4 10 6 19 6 7 3 2 0 2 4 5 25 15 6 2 2 2 2 1 0 1 2 1 0 1 1 1 2 1 2 1 1 1 1 1 0 1 1 1 1 2 2 1 1 1 2 3 1 1 1 0 1 2 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 1 3 3 7 10 10 8 6 3 6 4 8 7 50 23 13 17 68 32 26 3 2 2 2 2 2 2 2 5 22 51 53 70 38 17 10 7 12 13 99 100 12 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0; 1HNMR: 69 69 t 1H J 13 | 68 68 d 2H J 13 | 48 47 s 2H | 40 39 t 2H J 65 | 38 38 s 2H | 31 30 tt 1H J 38 55 | 29 28 m 4H | 28 27 ddd 2H J 55 82 125 | 19 18 dddd 2H J 39 56 82 136 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C#N)=C(NCc1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1
ir: 6 6 4 3 0 9 6 6 13 7 7 10 17 8 18 18 9 18 17 21 9 7 12 16 38 14 20 10 11 8 18 21 11 5 4 5 6 7 5 6 39 6 20 17 15 4 6 3 6 2 4 4 7 4 12 37 16 11 2 5 2 3 4 3 3 4 4 8 3 4 3 3 5 5 7 3 5 4 6 9 15 77 13 6 19 7 7 3 7 6 3 3 4 4 3 4 13 22 8 15 53 16 3 3 2 3 3 3 3 4 2 15 5 7 4 5 7 6 7 15 11 13 12 10 14 8 7 9 11 11 17 10 21 20 6 18 4 6 8 19 100 16 10 12 3 10 10 17 15 6 3 5 4 3 4 3 4 4 27 35 12 6 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 4 3 2 2 2 3 3 7 14 8 35 34 19 9 5 3 4 3 4 2 2 3 2 2 3 2 2 3 4 3 5 3 4 9 10 24 52 42 48 13 7 6 5 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 72 m 3H | 73 73 s 2H | 72 71 ddt 2H J 9 35 81 | 70 70 m 2H | 68 68 t 1H J 51 | 45 44 dd 2H J 8 52 | 43 42 q 2H J 71 | 37 37 t 2H J 9 | 35 35 m 4H | 27 26 m 4H | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1)c1ccccc1
ir: 7 12 22 22 8 10 4 7 8 4 9 6 7 6 32 11 6 6 7 10 5 4 6 15 4 14 17 25 34 13 10 22 10 5 6 14 20 11 8 17 17 6 7 6 4 3 4 5 2 40 17 4 3 9 24 35 17 5 5 16 5 3 3 4 4 6 13 25 11 8 14 7 3 3 3 3 2 2 2 2 3 2 4 3 6 5 2 2 4 15 22 4 3 3 2 3 8 15 7 3 2 2 7 3 1 4 41 11 11 15 4 3 7 18 9 5 9 8 11 6 4 7 17 14 17 6 3 3 4 4 10 4 6 8 7 40 10 77 58 42 13 6 8 21 17 20 15 11 49 25 21 25 19 7 12 5 22 4 16 6 4 3 6 26 7 4 8 2 2 3 2 1 1 3 2 1 2 3 1 0 2 4 39 5 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 3 2 2 3 2 2 3 3 3 3 3 3 5 5 8 6 18 24 52 13 6 7 4 3 5 5 3 5 4 4 3 3 3 4 3 3 7 12 12 23 61 100 95 48 15 12 10 4 5 5 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 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 91 91 s 1H | 88 88 s 1H | 79 79 s 1H | 76 76 s 1H | 73 72 m 6H | 72 71 m 2H | 66 65 d 1H J 82 | 47 46 m 1H | 21 19 dqd 1H J 53 70 139 | 18 17 m 1H | 10 9 td 3H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc(Cc2ccccc2)cc1NCC(=O)N1CCOCC1
ir: 2 4 4 5 3 4 3 4 5 4 3 2 2 1 1 2 4 3 2 2 1 6 3 5 6 4 3 8 38 11 11 17 14 12 13 23 11 10 7 4 23 8 19 4 4 4 3 1 1 2 1 2 2 1 2 1 1 1 1 0 1 5 1 1 3 1 5 3 5 6 3 2 4 3 3 1 2 4 4 9 1 1 1 1 1 0 1 1 3 8 7 2 1 1 2 1 1 3 5 2 1 1 1 1 1 1 2 13 3 6 2 3 2 2 3 2 3 2 2 3 3 6 6 7 15 15 4 7 16 13 31 25 5 7 12 22 1 4 10 21 13 5 11 11 2 3 4 19 8 1 2 5 23 1 1 2 2 3 1 3 1 1 13 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 2 2 2 1 1 2 1 2 2 11 7 7 51 22 7 4 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 2 3 13 21 100 12 3 4 1 4 2 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 82 dt 1H J 8 17 | 73 72 m 3H | 72 71 m 3H | 66 65 t 1H J 59 | 44 43 q 2H J 64 | 41 41 d 2H J 59 | 40 40 p 2H J 8 | 37 37 dd 4H J 45 56 | 36 35 dd 4H J 45 56 | 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.
Nc1cccc(-c2ccc(CC3CCCCN3Cc3ccccc3)cc2)n1
ir: 9 7 3 7 3 10 1 15 13 12 12 9 10 10 5 9 11 8 9 6 7 4 4 7 6 4 2 4 5 5 2 12 16 29 7 5 4 17 3 8 23 8 4 5 7 22 49 29 20 15 11 2 7 4 13 4 6 7 3 2 3 5 1 3 7 3 5 3 10 9 2 5 4 3 3 2 3 4 2 5 6 9 53 10 4 4 7 4 6 11 5 7 5 2 6 4 5 4 3 4 4 4 9 3 2 2 2 2 2 3 5 5 3 2 1 2 3 2 2 5 3 3 2 4 3 7 3 4 6 7 1 7 18 7 8 14 7 38 12 3 3 6 7 10 10 15 11 12 80 100 36 16 10 9 5 22 98 100 15 2 2 5 3 1 3 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 2 2 2 3 3 3 4 2 3 1 1 3 11 23 7 27 77 55 14 7 3 2 3 2 3 1 3 2 2 2 1 2 5 6 15 47 5 2 2 2 1 2 2 2 3 5 53 43 9 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 3H | 76 75 m 1H | 73 72 m 2H | 73 73 s 3H | 72 71 dq 2H J 10 90 | 68 67 dd 1H J 13 75 | 54 53 s 2H | 38 37 d 1H J 125 | 35 35 d 1H J 124 | 29 28 m 2H | 28 28 ddd 1H J 36 60 115 | 27 26 m 2H | 20 19 m 1H | 17 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)N1CCN(C(=O)c2ccc(CN3CCC4CCCCC4C3)cc2)CC1
ir: 11 10 9 11 26 15 9 6 13 8 13 3 4 3 8 3 0 4 6 4 2 5 13 7 1 2 5 3 3 4 11 7 2 10 25 36 12 10 72 41 7 14 8 5 12 1 11 5 3 4 2 5 6 9 15 14 36 29 18 16 7 4 2 2 4 8 5 4 7 5 8 4 3 8 8 25 10 7 5 8 15 7 49 74 21 7 4 11 6 5 27 9 11 3 3 6 4 11 17 10 39 17 16 10 10 7 6 8 8 2 15 10 1 5 12 10 4 7 9 28 9 22 37 15 18 64 9 11 6 9 26 7 10 9 16 19 12 14 3 3 2 4 3 6 19 100 28 8 5 8 13 29 9 6 1 2 2 1 0 1 1 0 8 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 0 1 0 0 1 0 0 1 0 1 1 0 1 1 1 1 0 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 2 6 2 2 2 4 12 7 4 5 9 5 3 9 10 30 9 62 40 21 16 5 1 2 4 3 1 2 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 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 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H | 75 74 dq 2H J 9 85 | 37 37 ddd 2H J 45 55 114 | 36 35 m 2H | 34 34 ddd 2H J 45 55 115 | 29 28 ddd 4H J 8 43 53 | 28 26 m 2H | 26 25 m 1H | 25 24 m 2H | 19 18 m 2H | 18 17 m 1H | 16 12 m 14H | 9 8 td 6H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(Cc2ccc(C)cc2)CC1
ir: 7 4 24 15 13 22 11 8 15 13 15 8 2 3 10 7 2 6 3 2 3 6 2 1 1 2 5 3 1 1 1 1 1 9 8 2 5 1 1 0 1 0 1 2 6 2 2 4 11 5 7 3 15 23 34 29 6 5 5 5 6 15 14 9 7 14 8 7 3 8 6 5 3 3 6 4 5 22 37 58 11 3 14 20 100 25 9 7 4 3 0 2 4 4 5 22 9 6 16 10 6 9 12 1 3 3 1 1 2 1 1 7 11 7 8 5 16 15 19 9 4 6 4 4 10 18 1 8 7 7 1 2 3 3 11 3 1 1 1 2 2 0 1 6 7 80 7 20 6 38 4 3 6 3 2 1 1 1 1 0 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 2 1 2 1 1 1 7 1 2 2 1 2 3 4 6 19 16 31 89 11 7 5 6 1 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; 1HNMR: 78 78 m 2H | 73 72 dt 2H J 9 80 | 72 72 dt 2H J 8 81 | 70 70 m 2H | 43 42 q 2H J 61 | 38 38 s 2H | 36 35 t 2H J 9 | 30 29 ddd 2H J 47 73 119 | 28 27 ddd 2H J 48 75 121 | 25 25 ddd 2H J 48 75 137 | 23 23 d 3H J 8 | 23 22 ddd 2H J 48 75 137 | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(C(Cc2ccccc2)C(O)C(N)=O)nc1-c1nc2ccccc2[nH]1
ir: 8 4 7 11 8 4 1 2 2 3 2 2 4 2 4 11 12 12 11 11 7 9 6 8 9 15 0 6 6 12 21 16 34 5 5 10 36 13 42 8 26 11 7 52 10 5 4 5 11 3 2 2 2 10 20 10 3 1 1 2 2 2 2 2 1 1 4 2 4 4 2 4 2 2 2 3 3 3 12 6 4 2 3 4 9 3 3 3 3 12 15 8 3 2 2 4 2 4 9 3 1 1 2 2 2 2 3 5 5 2 2 1 2 2 2 3 2 2 2 5 1 2 3 2 1 2 4 2 2 2 3 2 9 4 2 34 26 9 2 6 3 4 8 11 17 5 2 2 1 3 3 5 31 3 5 4 11 10 100 29 8 2 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 4 3 2 3 6 5 5 52 13 7 3 3 3 2 46 12 3 2 2 2 1 1 2 3 10 68 2 2 1 2 2 3 3 7 10 7 10 26 86 11 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 88 | 80 79 s 2H | 78 77 m 1H | 77 76 m 1H | 74 74 dd 1H J 7 88 | 73 72 m 4H | 73 72 m 3H | 72 71 dt 1H J 9 17 | 69 69 s 2H | 46 45 dd 1H J 54 87 | 44 43 d 1H J 53 | 38 37 m 1H | 32 32 ddt 1H J 9 81 155 | 30 29 ddt 1H J 8 80 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C#N)=C(C)c1ccc(OC)cc1
ir: 3 4 12 9 10 8 5 8 9 12 6 9 5 9 6 6 8 8 16 9 10 3 3 5 3 2 2 3 3 3 2 3 3 2 4 17 5 2 3 4 6 2 10 10 8 3 5 3 3 5 4 7 29 13 11 64 6 5 5 10 7 9 11 8 4 3 4 3 7 9 4 5 4 4 5 12 3 3 7 5 2 3 6 30 35 7 6 4 4 2 4 2 4 6 11 4 3 3 3 2 2 2 3 2 2 2 5 4 2 5 5 5 3 5 3 3 5 6 13 7 5 5 17 9 4 9 5 5 6 4 3 4 11 12 4 4 3 59 8 1 0 4 4 1 1 5 7 5 100 24 6 5 52 6 14 22 4 3 2 3 3 2 7 3 2 2 3 2 2 2 2 2 2 2 2 1 2 3 2 0 3 7 92 7 1 0 2 3 1 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 5 6 3 3 3 3 3 4 3 2 4 4 6 9 31 11 21 83 24 12 10 7 4 2 3 3 2 2 3 3 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: 75 75 m 2H | 70 69 m 2H | 43 42 q 2H J 71 | 38 38 s 3H | 27 26 s 3H | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)OC[C@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccccc1C
ir: 8 15 5 7 7 15 54 10 10 6 7 5 5 21 17 9 20 8 6 5 5 6 7 4 4 4 4 5 3 5 5 5 4 3 5 7 4 4 5 6 15 18 100 25 30 7 4 3 3 4 3 3 3 7 7 3 3 3 3 5 3 4 3 6 5 5 10 7 5 17 15 5 6 5 13 10 6 5 11 12 12 23 4 3 4 4 3 3 4 7 15 8 6 4 3 3 4 5 7 9 9 14 8 4 4 4 24 11 4 10 25 14 5 5 4 8 13 16 11 9 10 10 7 8 4 4 4 4 3 3 5 3 4 3 4 6 15 14 5 5 6 8 20 24 57 51 29 7 5 5 9 19 8 5 4 12 3 3 3 4 12 4 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 4 5 4 4 4 5 6 5 5 8 12 13 10 0 32 6 28 71 22 19 7 10 3 2 3 4 2 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 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; 1HNMR: 79 78 m 2H | 74 72 m 7H | 59 58 tt 1H J 11 35 | 54 54 tdq 1H J 17 48 63 | 47 46 ddd 1H J 18 46 119 | 45 45 m 1H | 45 44 ddd 1H J 18 46 119 | 28 27 ddd 1H J 33 46 136 | 26 25 dddd 1H J 18 51 66 135 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1O
ir: 3 3 3 4 7 4 4 5 10 5 3 5 3 3 4 3 2 3 2 1 1 3 3 2 2 4 1 2 1 1 6 6 2 3 2 2 2 3 2 4 7 5 7 3 4 5 2 3 5 5 7 1 3 4 14 2 3 3 2 4 5 3 2 2 3 4 4 3 18 6 2 1 2 3 5 2 3 2 6 2 15 6 3 6 7 22 32 23 9 7 3 4 3 3 6 4 2 2 2 2 2 2 2 2 4 3 2 3 2 2 2 9 5 2 4 8 4 4 3 2 1 2 2 2 1 2 1 2 1 1 3 2 2 3 5 5 2 1 1 1 1 2 1 4 2 1 2 1 1 1 1 7 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 4 5 7 15 9 5 2 4 1 5 29 100 18 8 3 0 2 3 1 1 2 4 7 27 11 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 5H | 40 39 d 1H J 51 | 39 39 dtt 1H J 16 33 66 | 38 38 dt 1H J 52 77 | 37 36 m 4H | 32 32 m 1H | 32 31 dd 1H J 15 123 | 31 30 t 1H J 55 | 30 30 dd 1H J 10 116 | 29 28 ddt 1H J 45 54 141 | 28 27 ddt 2H J 20 33 123 | 27 26 ddt 1H J 44 52 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(c1nc2n(c(=O)c1Cc1ccccc1)CCCC2)N(CCCN)C(=O)c1ccc(Br)cc1
ir: 2 2 4 3 1 1 1 7 4 8 6 9 2 6 7 2 2 7 4 2 4 3 2 2 6 2 1 3 1 2 4 5 10 42 14 7 10 15 31 42 58 22 13 15 11 9 11 16 13 28 29 14 7 9 25 26 27 14 21 21 51 3 2 8 5 6 5 4 16 17 12 11 22 39 18 5 8 8 5 8 25 9 19 5 5 4 2 1 2 24 4 1 3 8 1 4 6 10 5 5 5 2 0 3 3 3 1 4 10 9 19 16 25 8 12 17 7 18 12 14 9 22 26 31 23 15 3 23 22 9 23 18 38 47 39 91 16 25 11 5 8 12 12 73 21 5 19 12 51 68 13 9 10 4 2 1 2 7 7 4 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 1 3 3 4 2 4 8 6 5 4 6 6 2 19 28 31 69 20 21 10 8 5 4 4 5 1 2 7 7 14 35 35 10 27 8 10 11 16 100 71 8 13 6 4 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H | 76 75 m 2H | 73 72 m 5H | 45 44 tq 1H J 13 69 | 40 40 m 2H | 38 36 m 2H | 35 34 dt 1H J 59 130 | 33 32 dt 1H J 60 130 | 29 28 m 4H | 24 24 t 2H J 64 | 21 20 dqd 1H J 67 76 114 | 20 19 m 1H | 19 18 m 2H | 18 17 m 4H | 10 9 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc2c1CCC2N=C=S
ir: 4 9 9 4 5 5 13 15 7 15 14 4 6 10 12 8 6 8 8 8 6 7 7 5 5 5 6 8 6 5 6 6 5 20 8 18 8 7 8 12 10 13 16 7 21 80 100 46 25 37 7 3 4 5 3 1 2 7 5 0 3 5 4 4 7 24 4 2 5 15 13 3 3 7 10 29 8 5 3 1 4 4 3 1 4 5 2 23 29 55 47 3 5 3 1 4 7 4 1 2 4 3 0 4 8 7 1 24 8 5 7 7 6 4 1 8 8 5 10 14 8 7 0 9 6 4 1 4 4 1 0 3 5 3 30 27 8 4 4 43 2 4 3 2 2 2 2 3 3 1 2 3 3 2 4 11 8 7 3 3 2 1 2 3 2 1 2 3 9 8 3 5 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 2 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 3 1 2 3 3 2 3 4 4 4 3 7 5 3 5 6 5 31 22 19 64 74 68 26 9 7 7 4 2 1 3 4 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 72 72 td 1H J 51 75 | 71 71 ddd 1H J 8 13 73 | 70 69 ddd 1H J 11 77 101 | 52 51 td 1H J 7 58 | 33 32 m 1H | 32 31 ddt 1H J 50 71 152 | 27 26 ddt 1H J 55 71 117 | 25 24 ddt 1H J 55 70 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(C)n(C)n2)ccc1O
ir: 1 0 0 1 0 0 0 1 1 0 1 1 1 1 0 0 1 1 1 1 1 2 1 1 0 0 1 0 1 0 0 1 0 1 3 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 4 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 4 1 1 12 3 2 1 1 0 1 1 2 0 1 1 1 1 1 0 0 0 0 0 1 1 2 1 1 1 1 0 0 0 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 1 2 1 1 1 1 0 7 1 1 0 1 0 1 1 4 1 1 1 0 1 1 1 0 0 0 0 1 0 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 2 4 7 2 1 1 0 3 100 9 6 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 2 1 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 72 s 1H | 68 68 d 1H J 92 | 64 64 s 1H | 38 38 s 3H | 23 23 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OC(=O)Nc2ccc(-c3cccc(F)c3)cc21
ir: 2 4 1 1 3 1 2 5 9 5 4 1 1 1 1 1 1 1 0 3 1 1 3 7 6 26 60 13 15 5 3 3 1 1 1 2 3 7 2 1 0 1 1 1 1 1 4 72 12 9 3 3 3 2 4 12 2 1 1 0 1 1 1 1 2 3 25 9 3 2 3 0 3 6 1 1 2 6 6 3 2 1 1 1 0 1 0 1 3 2 6 1 1 1 5 2 2 7 3 1 1 1 3 1 1 1 4 5 1 1 1 1 0 1 1 1 1 7 23 4 8 3 1 2 4 2 2 5 6 3 1 5 2 1 1 1 1 0 1 4 24 2 3 3 2 0 0 1 2 4 4 13 6 61 28 7 17 0 2 10 14 3 1 1 17 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 2 2 2 7 8 1 15 100 43 6 2 0 3 3 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 20 41 46 14 3 2 4 2 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 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 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 98 s 1H | 78 78 dd 1H J 7 22 | 77 76 dd 1H J 21 87 | 74 73 m 2H | 73 72 d 1H J 87 | 72 71 ddd 1H J 15 26 121 | 71 70 m 1H | 62 62 m 1H | 17 16 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC[C@]12CCC(=CF)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
ir: 3 2 1 1 1 2 1 2 1 2 1 1 1 2 2 3 3 4 8 8 7 10 6 1 2 2 1 1 2 5 3 1 5 3 8 4 1 7 3 0 0 1 1 0 1 6 8 5 2 2 3 12 5 3 2 4 2 7 4 2 1 2 6 6 3 2 2 4 11 13 6 3 2 5 2 1 2 3 10 6 5 2 1 1 1 1 3 5 3 2 5 7 3 5 7 5 5 4 5 6 5 9 3 6 3 5 8 7 8 21 20 44 22 7 12 9 8 14 16 9 39 11 3 7 4 3 3 6 7 5 1 3 7 3 3 2 1 2 2 2 2 2 3 3 100 6 3 2 1 0 0 2 3 1 1 1 1 0 0 1 1 0 1 5 2 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 2 2 1 1 3 2 3 4 5 2 11 12 5 4 8 3 8 32 75 31 32 14 5 1 2 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 65 65 q 0H J 10 | 64 64 q 0H J 10 | 62 61 dh 1H J 9 21 | 28 27 d 1H J 126 | 26 23 m 6H | 22 21 m 1H | 21 20 s 2H | 19 18 m 3H | 17 14 m 9H | 14 13 dddd 1H J 54 65 82 121 | 12 11 dddd 1H J 28 36 63 79 | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OCC2CC2)cc(C(=O)NC(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1
ir: 0 2 3 5 2 3 2 1 2 3 13 4 2 2 1 1 1 1 2 2 2 3 1 1 4 3 2 1 0 1 1 0 0 1 1 2 2 3 4 3 7 11 8 2 1 1 1 1 1 0 1 0 1 1 1 1 1 2 2 2 1 1 2 2 3 11 4 8 5 5 2 4 2 3 1 1 1 1 1 1 0 1 1 3 1 3 2 2 1 1 1 1 1 1 0 2 1 1 1 2 1 1 0 3 7 2 1 4 7 1 1 2 4 2 2 2 5 3 9 5 9 4 4 5 4 4 1 4 6 5 6 4 3 4 4 1 2 2 1 1 1 1 3 3 8 100 26 52 7 2 3 20 4 5 2 1 1 0 1 1 3 1 6 2 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 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 4 4 10 10 4 15 30 7 4 3 2 1 1 0 0 1 2 1 1 1 1 1 6 2 2 2 1 1 2 2 5 21 10 3 2 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 t 1H J 22 | 71 70 t 1H J 22 | 68 67 d 1H J 81 | 66 65 t 1H J 23 | 39 39 d 2H J 44 | 38 38 s 2H | 38 36 m 4H | 34 33 m 2H | 19 18 m 4H | 16 15 m 2H | 15 14 s 7H | 14 13 m 1H | 12 11 dd 3H J 11 59 | 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.
COC(=O)C1=C(CCc2nccs2)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl
ir: 18 13 12 8 12 8 10 22 6 17 4 5 2 8 8 5 2 3 2 1 1 1 1 1 1 1 4 0 5 1 1 3 3 2 1 2 5 6 2 5 2 3 2 2 4 3 38 9 4 5 9 10 2 2 3 1 4 7 3 2 3 4 6 2 6 26 8 2 3 7 2 2 4 11 22 4 3 3 1 0 6 9 5 11 21 11 3 15 2 7 9 8 14 11 8 5 4 7 3 2 3 10 7 7 28 6 5 9 12 5 4 3 3 9 7 13 28 15 9 12 10 6 2 5 3 11 14 10 14 33 57 22 7 3 5 6 11 7 17 18 11 5 2 13 0 6 2 2 1 1 1 1 1 1 1 26 3 2 13 15 2 1 1 1 1 0 1 1 1 0 7 3 18 1 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 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 3 1 1 4 4 2 4 6 5 14 10 19 10 2 6 8 12 21 36 21 20 100 29 18 9 9 4 3 1 1 3 3 1 0 1 1 1 2 9 17 21 5 2 2 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 1 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 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H | 77 77 d 1H J 46 | 74 74 m 2H | 73 72 dd 1H J 78 91 | 71 70 d 1H J 46 | 53 53 t 1H J 10 | 36 36 d 6H J 7 | 36 34 m 2H | 32 30 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2ccc(C(C)C)nc12
ir: 6 6 6 6 6 8 6 6 5 6 6 6 5 8 6 6 6 6 6 5 5 6 6 5 5 6 6 5 6 7 11 7 5 6 7 5 6 13 6 4 5 8 7 0 20 16 7 11 7 4 10 19 10 11 10 16 14 9 8 8 9 6 9 7 8 5 7 7 6 5 6 7 7 6 8 9 13 9 16 8 8 9 23 14 6 5 6 6 6 6 6 6 6 10 7 8 14 6 6 6 5 5 6 6 7 12 10 7 17 16 6 6 6 7 23 7 7 7 10 7 8 9 8 6 5 6 7 7 6 9 7 11 22 10 10 7 6 9 23 7 6 6 6 7 7 18 79 8 8 10 7 5 6 11 75 21 7 9 6 20 7 5 6 6 6 5 6 6 6 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 7 6 6 5 6 6 6 6 7 8 6 8 10 12 13 17 42 59 100 15 7 9 7 6 7 6 6 6 6 6 6 5 6 6 5 5 6 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5; 1HNMR: 81 81 d 1H J 80 | 74 73 m 3H | 72 72 dd 1H J 13 82 | 39 39 s 2H | 33 32 m 1H | 14 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccncc2)nn1
ir: 8 5 2 4 6 4 2 5 6 4 4 4 6 8 6 8 8 76 92 14 9 5 4 6 6 2 2 19 9 2 5 20 15 21 9 7 6 2 2 6 5 1 3 7 16 37 16 8 5 2 5 7 25 60 64 22 6 1 7 8 4 2 18 11 15 2 7 7 6 14 21 26 46 44 14 9 4 5 7 6 2 2 9 8 3 2 7 6 2 9 25 14 1 3 8 6 1 3 6 5 1 2 6 7 1 3 6 4 2 4 17 16 25 15 11 5 1 7 12 5 2 6 8 20 36 11 8 6 2 6 7 8 6 16 47 16 4 6 7 2 1 11 56 49 14 13 7 14 11 54 100 7 4 10 8 6 10 11 6 2 4 22 43 11 4 7 4 1 3 7 3 0 3 7 3 0 3 6 3 1 4 6 3 1 4 6 2 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 2 5 6 4 2 3 5 4 2 4 6 5 4 10 12 12 7 27 74 65 29 11 17 5 0 4 7 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 87 86 m 2H | 79 79 d 1H J 81 | 78 78 m 2H | 71 71 d 1H J 81 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)(C)C(=O)NCC(C)C)cc1C
ir: 2 3 5 2 1 4 3 3 3 3 4 2 2 3 4 2 1 2 4 3 4 3 5 7 7 7 12 6 3 5 5 1 7 10 38 29 32 26 20 10 8 4 4 3 3 6 6 4 4 12 3 8 14 60 39 8 4 3 7 5 4 11 14 7 17 13 9 11 3 7 12 12 4 5 5 2 4 3 3 3 4 4 3 4 12 3 1 2 8 7 1 2 4 3 2 3 6 8 1 2 4 4 8 6 7 12 9 5 5 6 7 5 10 8 6 5 5 7 8 10 18 9 8 10 7 6 7 5 18 15 13 19 11 6 1 3 4 4 1 3 4 5 8 12 15 20 100 35 14 9 10 27 18 3 6 6 4 1 2 3 2 0 2 4 2 1 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 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 5 1 3 3 2 3 3 4 3 2 6 6 7 14 21 17 14 24 18 11 4 1 3 3 1 1 2 3 1 1 4 4 2 2 3 4 3 2 12 11 32 38 18 19 9 4 3 2 1 2 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 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 72 m 1H | 71 71 dd 1H J 22 79 | 69 68 t 1H J 52 | 68 68 d 1H J 79 | 38 38 s 3H | 32 32 dd 2H J 37 52 | 22 22 s 3H | 19 18 dtd 1H J 29 67 104 | 16 15 s 5H | 9 9 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N
ir: 2 2 1 2 0 3 1 1 3 7 11 2 3 2 7 5 14 14 10 3 2 6 2 5 1 4 1 3 2 2 2 3 1 2 1 1 1 1 1 9 10 8 1 2 3 8 8 6 4 8 2 4 5 3 5 2 1 2 1 0 1 1 1 1 1 1 3 3 2 6 2 1 5 2 1 2 1 4 4 2 2 1 3 12 2 1 1 1 1 6 1 5 4 1 0 1 2 16 11 8 3 1 1 1 2 5 7 2 1 2 5 12 2 1 2 2 2 1 1 1 0 0 0 1 2 13 6 7 5 1 1 0 0 1 4 1 1 1 3 5 7 5 2 7 3 9 13 9 14 6 5 24 4 7 4 7 16 13 14 52 18 4 1 4 11 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 3 7 31 14 2 2 1 0 1 1 1 1 0 1 0 1 1 1 1 3 8 9 4 7 2 9 37 25 7 3 2 1 1 100 10 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; 1HNMR: 92 92 s 1H | 83 82 m 2H | 82 82 d 1H J 31 | 81 81 ddd 1H J 22 34 57 | 79 79 d 1H J 22 | 77 77 m 2H | 76 76 dd 1H J 22 81 | 73 73 dq 1H J 10 81 | 69 69 s 2H | 23 22 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(N)c(C#CC(F)(F)F)nc2-c2ccc(C)cc2)cc1
ir: 1 1 4 2 2 1 2 2 1 1 4 7 1 2 3 6 35 16 4 3 2 3 5 1 1 1 1 1 1 1 1 1 0 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 16 4 1 2 1 0 1 1 1 0 1 1 1 1 1 3 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 3 24 3 4 1 1 16 3 1 1 1 1 1 3 1 0 0 0 1 1 2 3 5 6 4 2 2 1 1 1 1 7 1 0 1 1 1 1 1 1 1 1 1 1 2 5 5 2 1 4 5 1 2 1 3 4 7 100 10 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 2 2 9 15 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 17 7 1 1 1 1 0 1 1 0 0 2 2 61 2 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 m 4H | 74 73 m 4H | 56 56 s 2H | 24 23 t 6H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(O)Cc1ccc(N)cc1
ir: 28 10 12 10 8 6 4 4 6 4 5 3 5 6 3 3 6 9 2 2 2 3 2 1 1 1 2 2 1 2 2 3 4 3 4 7 2 3 3 2 2 3 19 9 4 3 2 1 2 2 3 1 3 7 5 28 16 5 2 4 2 1 2 3 4 2 2 2 1 2 3 3 1 2 1 2 4 6 5 4 6 4 8 12 6 6 7 23 15 20 10 3 3 7 1 1 4 7 7 3 2 4 2 1 1 2 8 2 2 1 1 1 2 2 1 1 1 2 3 2 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 16 3 1 1 1 2 3 6 3 1 2 4 8 5 2 9 4 9 34 100 22 5 4 2 1 4 15 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 1 2 1 1 1 3 2 3 6 9 9 35 15 6 3 2 5 4 4 86 13 1 2 2 2 0 1 2 1 41 20 4 1 1 1 1 1 1 1 3 3 33 22 9 4 2 1 1 1 1 1 1 0 1 1 0 1 0 1 0 0 0 1 1 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 6H | 66 66 m 2H | 52 51 m 1H | 38 38 s 2H | 30 30 ddt 1H J 9 69 140 | 28 28 d 1H J 53 | 28 27 ddt 1H J 9 69 141 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C=N/Nc2nc(=O)[nH]cc2F)cc1
ir: 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 7 4 5 5 4 4 3 2 2 2 3 2 6 11 44 28 7 6 5 41 10 2 2 4 3 1 1 3 4 0 10 100 14 5 4 2 2 3 7 13 3 4 2 2 2 3 3 4 2 3 2 2 2 2 2 1 2 2 2 2 2 3 2 2 3 7 3 5 15 2 3 2 6 3 4 2 3 5 2 2 2 2 2 2 2 2 3 9 8 20 3 2 1 2 2 2 2 2 2 3 2 3 2 3 4 8 3 2 3 8 13 4 3 2 2 2 2 2 2 7 3 2 2 2 2 3 3 6 10 20 6 4 3 8 16 11 14 7 19 12 4 9 8 19 100 6 3 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 3 6 13 34 6 4 10 4 4 2 2 2 2 2 2 2 2 2 2 2 2 4 7 3 3 7 4 18 81 10 7 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1; 1HNMR: 90 89 d 1H J 37 | 80 80 s 1H | 76 75 m 2H | 74 73 t 1H J 74 | 71 70 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(c3ccc(-n4cnn(C)c4=O)cc3)CC2)cc1
ir: 1 5 2 2 2 2 2 3 3 2 2 6 12 12 10 5 2 4 5 2 1 1 1 1 1 1 2 1 1 1 2 5 3 1 1 1 1 2 1 1 2 2 5 7 6 1 3 1 5 8 9 5 16 62 65 83 17 21 12 5 9 12 15 24 12 6 3 4 2 13 7 2 5 17 17 7 3 4 3 1 1 1 2 5 100 17 11 9 9 8 24 6 15 10 5 7 10 8 4 14 10 7 5 2 2 1 3 2 6 8 6 3 2 2 3 12 3 2 1 2 1 3 1 1 4 7 11 6 3 6 7 6 12 7 9 2 1 1 1 1 1 1 1 2 3 20 7 2 3 18 14 17 44 25 13 6 3 1 1 1 1 0 0 3 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 3 2 3 1 3 3 3 4 12 22 35 49 46 8 12 4 4 2 2 2 2 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 s 1H | 74 73 m 2H | 69 69 m 5H | 69 68 m 2H | 38 38 s 3H | 36 36 s 3H | 33 33 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(C#N)(CCCN1CCN(CCOc2cncc(Cl)c2)CC1)c1ccc(C#N)s1
ir: 5 10 4 11 12 38 29 22 10 8 6 12 21 18 5 12 5 2 2 6 6 7 5 5 3 2 15 20 12 1 100 11 14 29 12 6 2 1 12 4 8 8 11 5 2 4 3 6 13 28 11 4 5 3 11 10 6 4 7 8 7 9 11 7 10 6 7 26 7 26 16 12 4 7 6 5 23 82 48 9 3 11 27 22 5 3 2 2 2 1 2 2 1 1 5 20 5 5 7 16 21 9 17 7 5 3 7 8 5 5 6 23 23 19 7 6 0 10 38 16 10 6 2 8 13 9 8 4 2 4 3 4 5 1 1 2 1 1 1 1 0 1 2 1 0 1 1 2 4 8 19 5 2 2 6 3 19 2 1 4 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 2 2 45 2 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 3 2 2 1 7 6 7 2 3 3 4 4 11 23 16 4 6 20 22 56 21 4 2 2 1 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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: 84 83 t 1H J 17 | 81 81 t 1H J 17 | 73 73 d 1H J 68 | 72 71 t 1H J 17 | 70 70 d 1H J 66 | 43 42 t 2H J 59 | 29 29 t 2H J 59 | 27 27 m 2H | 26 25 m 8H | 24 23 hept 1H J 64 | 22 21 dt 1H J 66 132 | 20 19 dt 1H J 67 132 | 17 16 m 1H | 16 15 m 1H | 10 10 d 3H J 64 | 10 9 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(F)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2
ir: 3 3 4 5 2 4 1 7 5 10 20 8 3 9 34 4 6 3 3 6 4 5 3 7 13 14 8 10 3 3 3 13 32 100 22 3 4 4 3 4 6 8 4 1 4 16 3 1 5 9 4 4 3 14 13 51 31 26 5 5 4 7 15 10 5 7 6 34 26 55 4 1 2 3 1 1 2 2 1 1 3 3 3 6 13 18 5 14 13 4 4 2 5 9 9 70 30 14 37 87 28 58 14 2 3 2 1 2 6 13 5 4 10 65 26 5 3 3 5 4 9 4 5 8 2 5 4 3 3 2 4 12 7 2 1 4 25 12 1 2 2 1 1 3 3 1 3 18 67 14 5 41 22 14 10 16 6 5 2 28 50 0 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 3 3 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 2 2 1 2 3 3 9 15 9 60 92 35 22 11 12 12 5 4 5 3 1 2 1 1 1 1 1 1 1 2 1 1 3 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 dd 1H J 20 121 | 72 72 dt 2H J 9 84 | 72 71 m 3H | 47 47 t 2H J 9 | 44 44 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FCc1cccc(C#CCCn2cc(-c3ccc(F)cc3)cn2)n1
ir: 2 3 4 5 10 14 3 6 10 7 7 3 2 4 3 4 2 5 5 3 3 3 4 5 3 2 3 2 3 5 5 3 5 7 4 2 3 3 3 2 3 5 7 4 4 8 7 42 11 11 4 7 13 9 33 95 13 9 5 5 3 2 5 12 11 8 10 9 4 5 3 3 2 2 9 6 2 2 8 11 7 4 5 2 2 3 4 4 3 2 9 7 5 5 2 2 3 2 2 2 3 4 3 3 3 3 8 3 2 2 3 3 2 7 3 9 3 5 3 3 6 16 9 4 3 3 3 3 5 13 5 6 4 4 4 3 3 8 71 7 2 3 3 4 8 7 41 6 3 14 13 6 7 17 28 49 12 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 0 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 3 4 5 3 3 3 4 3 3 4 4 12 8 11 22 100 24 18 17 10 7 4 4 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 79 s 1H | 77 76 dd 1H J 66 77 | 76 75 m 3H | 74 73 dd 1H J 12 67 | 73 72 ddq 1H J 10 20 76 | 72 71 m 2H | 55 55 d 1H J 7 | 54 54 d 1H J 7 | 42 41 td 2H J 9 35 | 29 29 t 2H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2c(c1)CCC(Cc1ncc[nH]1)C2
ir: 5 10 25 7 40 8 1 2 2 2 2 2 5 5 1 3 3 5 20 9 1 2 1 3 6 3 2 7 1 1 2 1 12 3 2 1 4 1 3 4 8 10 42 21 3 3 3 1 2 9 4 7 11 6 5 28 16 9 1 2 3 2 2 3 3 3 3 7 10 2 3 9 3 3 5 2 1 2 2 2 2 7 2 6 52 46 11 20 27 5 8 25 16 11 22 24 16 45 51 39 26 28 7 22 1 19 33 16 11 13 3 11 15 11 11 10 13 20 8 7 23 19 10 6 4 2 3 11 5 8 11 100 6 5 4 3 5 2 1 2 1 2 6 16 3 2 0 5 25 68 6 1 14 6 2 1 1 2 1 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 0 1 1 2 1 0 1 1 0 0 1 1 1 1 1 0 1 1 1 2 1 3 6 5 17 16 5 6 7 16 11 10 12 26 12 44 69 26 45 19 7 7 4 3 15 57 33 45 40 32 8 3 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; 1HNMR: 89 88 d 1H J 53 | 78 77 m 2H | 73 72 dt 1H J 9 88 | 71 71 dd 1H J 29 53 | 70 69 d 1H J 29 | 30 29 ddd 1H J 9 73 147 | 29 28 dddd 1H J 8 57 82 140 | 28 27 m 3H | 25 24 dd 1H J 73 152 | 23 21 hept 1H J 71 | 21 20 dddd 1H J 58 69 82 132 | 18 17 dddd 1H J 57 68 82 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)NC(=O)C1(C)C1CCCCC1
ir: 1 1 0 1 1 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 2 1 1 1 0 0 1 1 0 1 1 2 1 1 1 2 1 1 1 1 1 4 12 18 15 30 1 1 4 1 1 1 2 0 2 1 0 0 0 1 1 0 1 0 0 1 2 1 1 1 0 0 0 1 1 1 0 1 1 0 0 0 1 3 3 1 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 1 1 4 4 4 4 2 2 3 6 6 6 8 5 3 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 8 1 0 0 1 1 0 1 1 1 1 8 100 7 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 0 1 1 1 1 1 3 6 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 3 23 11 3 1 1 0 0 1 0 0 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 36 35 dq 1H J 71 141 | 35 34 dq 1H J 71 140 | 21 20 pq 1H J 15 68 | 17 15 m 4H | 15 13 m 6H | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1cc(Br)c2cc(F)ccc21
ir: 1 2 1 1 10 8 3 2 1 8 6 9 3 3 2 2 3 11 8 4 2 2 1 3 1 1 1 1 1 1 2 6 1 1 1 1 1 1 1 3 1 3 3 0 1 1 1 1 1 2 1 0 1 5 26 24 5 3 2 1 1 3 4 3 8 6 2 10 9 3 16 12 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 2 3 1 1 1 2 1 1 5 23 8 3 2 3 3 3 18 2 2 1 1 1 2 7 8 1 2 5 29 6 4 5 11 6 3 0 3 2 3 3 4 35 7 29 9 4 2 1 1 2 0 1 1 1 1 2 17 27 2 2 4 42 26 3 5 100 98 9 2 1 0 2 1 1 0 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 3 2 1 2 2 2 0 1 2 2 1 2 3 5 12 19 8 11 39 13 14 24 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 m 2H | 77 76 dd 1H J 26 121 | 72 71 ddd 1H J 26 81 104 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCc2c(sc3ncnc(Nc4cc5cn[nH]c5cc4OCC)c23)C1
ir: 1 3 3 2 2 2 5 2 1 2 3 6 30 8 1 3 3 11 15 8 5 3 10 16 3 1 1 2 15 8 21 9 2 1 4 5 2 1 7 29 42 35 7 25 11 6 3 6 2 1 1 1 1 1 2 1 1 1 1 1 1 0 2 2 2 0 2 11 21 2 3 5 6 2 5 5 4 2 1 1 1 1 3 2 0 21 10 1 2 1 1 9 3 2 2 11 4 3 3 12 3 4 6 8 26 11 10 14 8 4 2 42 33 20 6 10 6 5 6 3 4 3 1 4 11 5 5 2 8 4 2 1 1 6 9 11 3 1 1 9 2 0 3 8 5 20 4 3 4 5 10 8 17 10 10 1 4 14 24 29 13 2 3 2 1 2 3 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 2 3 2 4 12 4 2 40 7 4 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 5 8 15 30 81 100 20 11 5 3 2 0 1 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 85 s 1H | 83 82 d 1H J 17 | 81 81 s 1H | 79 78 d 1H J 17 | 71 71 s 1H | 42 41 m 5H | 31 30 m 1H | 29 27 m 4H | 23 22 dddd 1H J 54 62 80 133 | 20 19 dddd 1H J 54 61 79 132 | 14 14 t 3H J 62 | 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.
COC(=O)c1ccc(OCCNc2ccc(Cl)cc2)cc1
ir: 3 4 4 5 20 19 0 10 17 10 7 4 17 20 5 8 8 2 2 3 1 2 2 1 3 5 1 1 2 4 1 1 2 7 4 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 4 7 43 100 73 23 2 7 2 1 0 1 2 5 2 2 1 3 9 5 1 1 1 1 3 2 1 1 2 1 0 1 0 1 1 0 2 3 2 1 1 1 2 1 1 3 6 5 1 1 1 1 1 5 7 1 1 1 3 2 1 2 1 1 12 11 7 2 4 2 5 5 7 4 9 7 4 3 2 2 2 1 1 1 1 2 4 5 8 1 2 7 21 8 2 6 6 27 42 24 11 10 10 1 1 1 1 1 0 1 1 10 3 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 4 4 7 13 24 15 9 4 5 4 2 1 0 1 1 0 1 1 1 1 0 1 1 1 2 2 5 12 35 17 7 4 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 78 78 m 2H | 71 71 m 2H | 70 70 m 2H | 66 66 m 2H | 54 53 t 1H J 49 | 42 42 t 2H J 43 | 39 39 s 2H | 36 35 q 2H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1
ir: 6 7 6 11 8 7 9 8 30 10 9 8 9 8 8 8 13 14 10 15 6 6 11 11 11 7 12 12 13 7 6 6 6 8 9 9 7 7 7 9 9 8 17 100 50 26 15 9 7 10 7 8 12 14 35 21 14 17 9 7 14 6 7 7 9 11 11 40 40 9 33 8 8 7 6 5 7 10 13 7 11 10 8 6 8 8 10 12 11 14 8 7 8 19 6 11 9 8 34 9 11 7 13 8 7 15 16 13 7 7 6 7 9 10 6 7 8 10 11 9 9 6 7 6 7 12 7 7 7 30 6 7 7 8 6 26 12 6 6 8 6 6 6 13 6 7 6 8 12 24 94 99 53 6 45 19 56 16 7 4 6 7 6 0 10 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 6 8 7 6 7 6 6 7 10 7 10 11 14 21 88 50 28 8 8 6 6 6 6 6 6 6 6 6 6 8 5 6 6 8 7 9 15 24 60 17 12 12 26 9 7 6 6 6 5 6 6 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 90 89 d 1H J 33 | 88 88 s 1H | 77 77 s 1H | 77 76 d 1H J 22 | 76 75 dt 1H J 48 79 | 74 74 dd 1H J 21 89 | 71 69 m 3H | 42 41 t 2H J 59 | 39 39 s 2H | 32 31 m 4H | 30 30 t 2H J 59 | 20 19 p 4H J 21
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)ccc1-c1cc(Nc2cc(CSC)cc(C)n2)ncn1
ir: 1 1 0 1 3 5 3 2 2 4 2 2 2 1 0 1 1 3 3 6 4 2 3 6 5 6 6 3 2 1 1 9 2 3 28 26 23 38 5 16 2 4 2 1 1 0 0 1 0 1 1 1 0 2 12 13 3 0 1 2 1 3 9 4 4 6 13 6 18 2 6 9 3 5 2 1 1 1 0 0 0 0 0 0 1 1 1 1 2 3 21 5 4 5 11 4 1 1 13 4 1 1 1 0 0 1 2 5 3 1 3 5 8 1 2 1 1 2 2 4 2 2 1 1 0 3 2 1 8 2 1 1 3 1 1 0 1 2 7 4 1 9 13 1 1 7 4 11 10 35 10 1 5 12 5 22 1 2 3 17 4 18 6 100 11 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 2 2 1 1 1 1 2 2 6 6 11 15 43 3 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 5 11 21 27 5 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 14 | 84 83 s 1H | 78 77 dd 1H J 49 88 | 71 70 m 3H | 67 67 dd 1H J 21 122 | 66 65 dd 1H J 12 20 | 39 39 t 2H J 8 | 39 39 s 3H | 24 24 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(Oc3nccs3)cc(C(=O)O)c2)c(C#N)c1
ir: 25 5 10 4 3 3 2 1 3 1 1 1 5 1 1 1 1 2 1 1 2 4 2 2 2 2 3 2 4 1 0 5 8 1 2 1 1 2 3 6 3 1 1 0 1 0 1 1 1 1 1 3 11 3 16 2 1 3 2 2 2 5 1 1 2 4 10 4 11 12 3 2 1 3 5 3 2 1 1 1 2 4 2 0 76 14 6 6 4 1 3 12 4 1 1 2 4 4 1 3 5 3 3 5 7 1 1 1 0 1 1 0 1 1 3 1 1 1 1 1 0 1 2 3 4 7 5 5 7 10 12 1 1 1 4 7 0 1 1 0 0 8 8 1 0 2 6 19 4 1 1 1 9 11 1 0 0 1 0 0 0 1 1 25 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 0 1 2 2 5 2 2 1 0 2 4 1 5 31 100 24 79 8 1 4 2 2 6 21 3 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 22 | 78 78 t 1H J 22 | 76 75 d 1H J 73 | 75 75 m 1H | 74 74 d 1H J 44 | 74 74 m 1H | 73 73 t 1H J 22 | 72 71 d 1H J 46 | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(F)ccc1C(=O)Nc1ccccc1
ir: 7 3 6 4 1 5 3 6 12 10 9 10 7 13 24 7 10 8 16 24 13 29 25 21 46 13 23 15 30 35 21 11 17 6 5 4 6 8 7 17 20 3 9 53 86 28 28 9 12 5 4 4 4 4 13 6 15 4 5 2 4 2 4 2 3 10 28 40 23 7 3 6 2 2 2 3 4 4 10 12 11 14 17 8 4 2 3 3 25 9 4 5 3 3 13 6 4 2 2 3 2 2 3 18 15 2 3 2 4 2 3 3 2 1 2 2 1 4 3 2 2 2 2 5 4 2 2 2 1 2 2 2 2 5 44 37 7 3 2 2 3 4 4 17 83 24 5 32 82 5 4 27 20 18 14 27 49 46 69 9 52 24 9 37 18 3 2 3 1 0 1 2 1 0 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 4 3 1 3 4 2 2 7 22 33 29 65 8 7 7 5 3 2 2 2 3 2 1 2 3 2 1 7 46 49 9 3 9 69 80 47 8 9 9 22 100 96 24 6 4 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 79 78 dd 1H J 49 85 | 77 77 m 2H | 74 73 m 2H | 72 71 tt 1H J 13 70 | 70 69 m 2H | 66 65 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2c(c1)CCCCC2
ir: 1 1 1 1 1 2 6 1 0 2 3 2 1 3 2 1 1 3 3 1 1 1 1 0 0 1 1 2 1 1 1 1 0 1 2 0 0 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 2 25 14 5 2 4 3 0 1 1 1 0 1 2 2 7 7 5 3 1 1 1 1 1 3 2 13 32 35 4 1 4 5 3 2 15 28 10 1 4 4 2 11 2 4 2 0 0 1 1 0 1 1 1 0 5 5 1 1 4 8 4 0 5 3 2 3 2 1 1 1 1 2 3 1 1 1 1 1 1 2 1 0 1 1 0 0 1 1 1 8 3 2 0 0 2 3 6 16 3 2 13 2 2 1 0 0 1 1 10 5 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 2 2 1 1 1 2 1 2 2 2 0 1 2 2 7 7 5 14 33 12 3 1 1 1 2 15 100 6 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 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 0 0 0 1; 1HNMR: 69 69 dt 1H J 9 89 | 66 66 dd 1H J 22 90 | 65 65 dt 1H J 9 20 | 53 53 s 1H | 28 27 td 2H J 9 85 | 27 26 td 2H J 9 85 | 17 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1ncc(N)c(O)c1=O
ir: 2 4 6 3 0 6 10 10 25 31 36 10 18 8 5 7 3 6 9 17 29 74 79 93 29 13 11 25 10 6 3 4 3 2 3 3 2 4 4 2 2 3 3 1 1 2 3 1 3 6 7 27 6 6 2 0 2 5 2 1 5 10 6 3 3 3 3 1 3 3 2 3 8 9 3 1 4 6 16 47 44 5 3 1 7 11 15 21 23 5 2 2 7 28 44 23 6 12 8 4 3 3 1 3 3 2 1 9 9 3 1 1 2 2 0 2 4 14 7 5 7 4 3 2 4 2 10 11 4 4 15 10 11 3 1 3 7 5 2 3 2 1 3 4 5 1 1 3 3 1 1 9 32 40 27 4 2 29 43 17 11 45 54 4 3 1 2 3 2 1 1 2 1 1 1 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 3 1 0 1 3 1 1 2 2 1 0 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 2 2 3 2 3 5 5 6 8 13 9 2 1 2 3 3 4 2 5 20 23 7 4 2 1 2 2 1 1 3 78 73 12 1 2 3 2 1 2 5 4 2 12 100 92 6 3 1 1 4 4 0 1 3 3 1 2 3 4 1 1 3 2 0 1 3 1 0 2 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 s 1H | 72 72 s 1H | 61 61 s 2H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1ccc2c(c1Cl)C(c1ccccc1F)=NCC(=O)N2C
ir: 5 2 1 1 1 1 2 3 1 1 0 1 1 2 0 1 1 1 1 1 1 5 2 3 19 15 4 2 2 1 1 1 3 1 2 3 10 11 8 13 11 27 26 39 12 6 5 1 2 2 2 1 11 2 12 24 7 1 1 2 1 2 1 1 0 1 1 1 2 5 1 1 1 1 1 2 2 1 2 1 1 1 2 1 1 0 0 0 0 0 0 1 1 2 1 1 0 0 1 1 0 0 1 1 1 18 2 2 3 6 2 4 4 5 8 7 1 2 3 2 8 8 7 5 3 1 2 7 5 9 2 2 3 4 13 1 3 4 0 1 2 1 1 6 5 4 4 17 7 31 69 17 100 16 6 2 3 2 1 4 1 4 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 1 1 2 1 0 1 1 1 1 2 4 6 1 5 28 11 4 2 1 1 1 1 1 0 1 1 1 1 2 1 1 2 2 1 4 4 5 14 21 19 22 4 2 2 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 s 1H | 76 76 d 1H J 86 | 76 75 m 2H | 74 73 td 1H J 13 83 | 73 72 m 2H | 65 65 t 1H J 37 | 43 43 s 2H | 36 36 s 2H | 33 32 qd 2H J 37 61 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCCCC1Nc1nc(Cl)nc2[nH]ccc12
ir: 2 2 4 2 1 2 3 2 1 2 3 2 2 5 6 6 3 5 3 4 4 5 5 7 14 9 4 4 2 4 4 1 2 7 6 3 11 10 5 2 4 20 20 15 5 6 8 3 6 12 5 1 5 7 4 1 4 5 4 3 6 9 6 6 6 5 3 2 3 9 3 3 4 8 3 3 4 5 3 6 8 6 4 5 4 6 5 2 3 2 1 1 3 3 1 2 3 2 1 2 3 2 1 3 3 6 12 9 7 11 5 7 6 4 4 3 3 2 2 4 3 3 2 4 8 3 3 5 10 8 5 8 12 17 21 9 10 6 7 9 13 4 3 2 4 22 21 31 10 4 3 3 2 6 71 100 9 16 11 7 4 1 2 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 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 1 2 3 2 1 2 3 2 1 2 3 3 2 5 3 2 1 3 3 4 8 10 3 2 2 2 3 4 5 10 9 15 6 6 7 6 4 9 63 67 12 23 38 24 14 12 4 3 3 4 2 1 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 72 71 dd 1H J 53 64 | 69 69 d 1H J 53 | 61 61 d 1H J 68 | 39 38 m 1H | 32 31 qt 1H J 38 50 | 20 19 dddd 1H J 46 59 84 142 | 18 17 m 3H | 17 17 s 1H | 17 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CCN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3)ncc21
ir: 3 6 3 2 2 1 1 3 4 3 3 3 5 9 6 7 3 5 4 9 8 27 38 15 7 10 21 22 13 10 3 2 4 16 7 2 12 18 6 10 40 37 19 4 3 5 3 2 2 5 2 2 4 8 11 66 29 9 3 1 1 1 2 1 1 1 1 1 2 3 3 1 2 3 9 8 7 6 15 12 7 3 1 1 1 2 1 2 4 3 1 1 3 2 3 2 7 4 5 2 2 4 4 3 17 10 0 2 4 5 0 3 3 4 1 36 8 4 2 1 1 2 4 6 8 2 3 6 3 3 3 3 4 2 2 4 7 11 8 12 9 4 1 7 5 3 58 39 23 4 8 41 28 22 18 3 1 2 1 6 2 1 1 2 13 4 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 11 2 7 10 11 4 3 3 1 0 3 8 30 100 9 2 2 2 1 1 1 1 1 2 1 2 3 6 13 40 30 9 3 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 90 89 s 1H | 81 81 s 1H | 79 78 m 2H | 72 71 m 2H | 42 41 p 1H J 53 | 39 38 t 2H J 74 | 37 37 s 3H | 30 30 t 2H J 74 | 22 21 m 2H | 20 19 m 2H | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)CCCCn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O
ir: 3 5 3 6 8 4 14 3 11 15 2 3 3 4 3 2 3 2 3 3 3 2 2 3 3 2 2 3 5 7 3 14 22 7 8 4 9 31 10 9 45 39 6 4 5 3 8 2 2 3 2 1 2 3 2 2 3 3 3 2 3 4 3 1 4 5 4 10 9 7 4 5 6 10 5 14 11 10 13 6 8 3 5 2 7 8 5 11 14 29 26 27 2 4 4 3 6 18 8 3 1 5 4 6 19 20 9 3 7 7 4 13 20 14 5 10 11 9 17 20 16 12 30 12 9 11 6 6 9 11 3 11 6 4 3 17 9 4 3 4 3 8 8 46 4 4 4 35 6 2 3 100 0 5 3 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 2 3 4 4 4 4 4 7 5 12 10 14 11 10 8 7 19 76 22 18 74 26 64 11 6 2 6 10 24 7 4 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 t 1H J 9 | 73 72 m 3H | 72 71 ddt 2H J 9 16 68 | 55 55 q 2H J 8 | 38 37 q 3H J 63 | 35 34 s 2H | 25 24 d 1H J 53 | 17 13 m 7H | 11 11 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.