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O=C1C(=Nc2cccc(C(F)(F)F)c2)c2ccccc2N1Cc1csc2ccc(Cl)cc12
ir: 4 4 10 5 5 4 3 3 2 3 3 7 4 5 5 6 3 3 2 2 4 3 3 2 2 4 5 3 3 3 3 3 7 6 4 4 3 5 4 3 6 4 4 5 39 5 4 10 5 3 3 4 5 7 17 4 4 5 6 3 3 3 3 11 3 4 3 7 9 5 5 4 5 5 11 6 4 3 3 4 4 4 4 3 3 3 3 5 3 3 4 4 4 3 4 5 3 5 5 11 6 5 8 9 4 3 3 10 3 3 3 3 3 10 4 15 8 3 4 7 4 4 2 3 4 4 6 6 5 3 4 5 3 2 2 3 3 6 14 5 7 13 4 3 3 10 6 3 6 3 5 6 7 3 5 4 7 2 2 2 9 0 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 4 2 9 100 26 14 16 5 4 4 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 80 dd 1H J 13 64 | 76 76 m 2H | 76 74 m 4H | 74 74 m 3H | 73 73 ddd 1H J 13 63 73 | 72 71 dt 1H J 23 64 | 57 57 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)C(=S)Nc1ccc(OC(=O)N(C)c2ccccc2)nc1
ir: 11 6 7 10 16 5 3 1 2 3 3 2 7 24 11 14 3 3 3 3 0 2 2 1 3 3 2 7 21 21 14 13 18 16 21 4 8 12 4 4 7 14 12 11 3 4 3 0 2 4 3 0 3 21 30 3 6 5 4 6 2 2 1 1 2 3 2 5 4 12 10 2 3 2 2 4 6 3 4 1 2 3 1 4 4 2 2 2 2 7 3 2 2 2 5 4 3 2 2 4 4 4 3 5 37 4 2 4 3 5 6 8 8 4 2 2 6 3 6 9 7 54 9 12 20 19 14 31 6 3 6 5 6 5 24 13 72 14 7 6 4 4 14 44 11 2 4 5 6 12 75 48 17 26 7 5 3 1 2 1 18 12 5 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 2 2 2 3 2 1 2 3 4 4 10 17 13 14 100 30 21 12 6 4 2 2 1 1 3 1 0 1 3 1 1 2 1 2 2 5 5 8 14 56 16 6 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 95 94 s 1H | 83 82 d 1H J 19 | 75 74 m 2H | 74 73 m 3H | 71 71 m 1H | 70 70 d 1H J 87 | 36 35 t 4H J 68 | 33 33 s 2H | 17 16 qt 4H J 69 79 | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCC2(C1)SCC(CS)S2
ir: 15 7 3 8 3 3 5 8 23 7 5 3 2 2 1 1 1 1 3 3 2 1 1 2 2 3 9 21 19 15 5 1 1 1 2 2 5 4 6 14 35 15 46 16 7 4 13 51 24 8 5 6 5 10 5 1 2 3 1 0 2 6 4 8 11 9 5 4 5 8 6 3 7 19 28 35 4 3 2 2 1 1 1 1 1 4 7 3 1 2 3 2 2 3 4 6 7 9 17 46 44 30 4 19 54 37 16 33 13 8 24 17 21 14 26 15 6 8 9 11 34 26 18 12 14 12 12 6 5 3 5 5 4 4 17 19 17 8 3 2 2 4 6 33 67 13 8 7 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 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 4 37 47 5 2 2 1 1 2 1 1 1 2 2 2 2 2 3 3 3 5 6 9 13 11 15 22 28 11 21 9 15 5 45 100 59 8 3 3 3 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 42 41 q 2H J 65 | 40 39 p 1H J 34 | 33 33 dd 1H J 37 122 | 31 30 dd 1H J 37 121 | 30 29 ddd 1H J 32 58 110 | 27 27 ddd 1H J 31 57 110 | 25 24 m 1H | 23 22 m 1H | 22 22 m 1H | 21 20 m 1H | 20 19 m 2H | 18 18 m 3H | 16 15 m 1H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(CCC)NN
ir: 1 1 2 2 3 5 6 2 2 3 2 2 4 5 4 3 1 11 9 10 13 6 4 2 1 1 3 1 6 2 4 6 6 10 14 10 19 26 22 10 19 28 18 21 43 26 24 5 20 18 9 8 8 11 5 7 2 0 4 2 3 6 4 3 4 4 2 3 1 2 3 8 4 4 4 4 4 1 1 0 3 1 1 12 8 3 3 3 3 1 2 1 1 1 1 2 1 1 0 2 2 1 1 2 3 3 4 5 3 2 10 9 5 6 2 5 4 4 3 3 7 8 10 13 17 12 15 29 33 22 14 11 14 21 11 7 16 6 11 14 15 27 21 22 8 7 4 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 5 3 4 2 2 1 1 2 3 3 4 6 1 2 2 1 2 1 1 1 1 3 2 4 4 6 8 26 79 69 5 5 13 7 36 34 13 100 69 20 2 6 4 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 34 33 dt 1H J 38 51 | 32 31 d 2H J 38 | 28 28 h 1H J 51 | 16 15 m 2H | 14 12 m 12H | 9 8 dt 6H J 71 120
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)COc1ccc2ccc3c(c2c1)CCC(=O)O3
ir: 4 5 8 7 3 8 4 3 4 7 7 6 6 5 3 7 5 4 9 3 3 4 6 5 5 4 4 4 6 4 3 2 2 3 6 2 4 4 5 3 5 5 3 2 3 2 3 6 5 2 3 4 3 2 4 5 5 0 59 3 6 11 4 2 7 8 4 5 6 14 3 3 6 4 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 4 4 5 3 3 3 4 6 31 10 3 3 3 9 10 19 6 4 6 4 4 4 3 3 4 4 8 6 12 20 37 9 7 6 6 8 14 6 4 7 5 6 5 4 3 3 2 2 3 4 2 4 14 27 100 16 14 9 12 8 6 5 3 3 3 4 6 11 10 4 2 2 3 2 2 2 3 7 5 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 3 3 2 3 3 3 4 3 3 4 7 4 4 4 3 3 6 5 11 31 19 23 41 58 13 4 3 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 m 2H | 74 73 d 1H J 27 | 72 71 d 1H J 86 | 70 69 dd 1H J 28 84 | 47 47 s 2H | 34 34 m 2H | 27 27 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2nc(-c3ccccc3F)ccc2N)c1N1CCC[C@H](CN)C1
ir: 11 3 1 6 9 5 3 5 12 5 6 6 7 5 2 6 24 11 8 42 12 10 9 54 27 22 37 23 17 6 5 10 27 10 7 4 5 5 3 5 4 4 18 13 8 8 6 20 20 15 8 6 6 43 22 80 95 6 21 39 9 4 4 8 9 24 7 7 6 4 8 11 39 42 21 16 8 12 9 9 3 4 23 32 8 4 4 5 2 3 9 7 7 11 7 6 4 6 14 14 13 8 8 4 6 6 8 7 3 7 14 10 2 7 10 4 1 6 8 7 4 5 10 17 6 6 8 3 3 15 29 29 47 33 20 17 24 32 7 5 4 5 21 16 26 40 9 11 13 6 5 20 5 11 21 48 53 5 10 34 17 9 13 6 7 8 3 1 3 5 3 0 2 5 2 0 3 4 2 0 3 4 3 1 3 4 2 1 3 5 2 1 3 4 1 1 4 4 1 1 4 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 2 0 2 5 2 0 2 4 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 2 4 4 1 2 4 3 1 2 4 3 2 2 4 4 1 3 6 7 3 5 6 5 3 4 7 6 4 14 60 32 15 5 5 3 3 4 5 3 2 6 9 6 7 37 33 9 11 40 11 12 90 72 64 42 16 10 13 27 30 100 27 6 6 5 6 1 2 3 3 2 2 4 3 1 2 4 3 2 2 4 2 1 3 4 3 1 2 4 2 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1; 1HNMR: 90 90 s 1H | 80 79 dd 1H J 19 83 | 78 78 ddd 1H J 14 39 95 | 76 76 s 1H | 76 75 d 1H J 82 | 74 74 dddd 1H J 14 39 77 88 | 74 73 ddd 1H J 15 85 99 | 72 71 ddd 1H J 15 77 103 | 61 61 s 2H | 39 39 m 1H | 39 39 s 4H | 37 36 dd 1H J 47 111 | 36 35 m 2H | 29 28 m 1H | 26 26 dq 1H J 61 118 | 18 17 m 2H | 18 16 m 4H | 16 14 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)Cc1cccc2cc(Cl)c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cc12
ir: 2 1 6 4 1 5 2 2 4 2 3 2 2 1 1 2 3 2 2 3 3 1 2 5 0 1 1 0 0 1 1 1 3 1 5 5 2 2 2 12 1 12 3 36 17 7 3 19 57 16 5 4 3 1 1 1 2 2 1 1 1 1 2 15 8 18 21 14 5 3 5 13 2 3 2 2 3 18 2 1 2 3 2 2 4 10 3 32 3 2 2 3 8 8 2 2 4 5 12 2 3 3 2 16 6 2 0 2 4 15 8 3 3 2 1 4 6 2 1 21 3 13 2 4 4 1 1 3 4 7 2 2 2 1 2 3 4 5 4 6 2 2 1 2 2 0 1 6 2 3 21 21 1 0 12 8 2 6 19 17 4 100 28 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 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 1 1 1 1 0 1 1 3 2 3 1 9 27 42 18 20 10 4 3 2 0 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 31 11 1 2 2 2 1 0 0 1 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 s 1H | 83 83 s 1H | 82 81 d 1H J 22 | 79 79 m 1H | 78 77 qd 1H J 22 45 | 75 75 s 1H | 74 73 m 2H | 73 73 ddd 1H J 11 70 81 | 72 71 m 2H | 38 38 s 3H | 37 36 d 2H J 6 | 24 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C(=O)OC)c1ccccc1C(OC(=O)C1CC1)c1c(F)cccc1F
ir: 10 4 4 8 9 22 28 13 6 4 8 8 5 4 4 6 2 3 2 3 2 3 3 4 3 5 19 7 3 4 13 5 4 3 3 2 4 11 4 4 7 7 13 20 5 9 64 15 6 3 4 3 5 4 4 3 5 3 3 2 3 3 5 3 4 3 3 6 4 3 4 11 19 4 3 3 4 6 3 3 3 3 4 5 6 18 18 7 6 15 11 6 19 13 8 6 19 7 4 4 5 4 3 3 4 20 8 8 13 3 3 3 3 3 2 3 3 2 3 3 3 2 2 2 4 3 1 3 4 2 1 44 0 4 7 3 14 21 15 12 15 4 9 14 12 11 6 13 51 10 9 12 4 4 3 5 44 3 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 3 2 3 3 7 7 7 4 8 20 37 100 20 21 11 24 5 4 6 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 dd 1H J 16 77 | 77 76 ddd 1H J 6 14 78 | 75 73 m 3H | 71 70 m 2H | 66 66 m 1H | 40 39 s 2H | 38 38 s 2H | 17 16 p 1H J 63 | 12 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)Oc2ccc(/C=N/c3ccc(F)cc3)c(F)c2)CC1
ir: 3 4 22 21 19 25 17 13 13 13 40 10 12 9 4 4 5 3 5 4 5 1 2 2 1 1 2 1 1 1 1 1 2 1 4 3 7 7 3 1 0 1 1 3 1 0 1 1 1 2 3 5 13 3 21 26 42 11 4 5 6 0 3 7 6 24 13 15 10 3 2 1 1 1 0 1 1 1 1 0 1 1 1 1 2 2 4 4 8 5 1 1 1 1 1 1 2 2 14 5 1 4 3 9 3 1 3 17 9 3 1 3 18 19 8 6 11 6 8 18 14 6 9 14 3 5 4 8 2 13 4 6 13 17 6 1 2 12 2 2 2 1 2 1 0 2 5 16 3 8 100 39 20 9 2 5 9 4 1 1 1 1 3 8 2 1 0 1 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 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 1 0 0 1 1 1 1 2 1 2 1 1 3 2 1 2 2 3 4 12 23 14 13 31 45 11 11 2 2 2 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 39 | 76 76 dd 1H J 40 81 | 73 71 m 6H | 71 70 dd 1H J 22 121 | 35 35 m 4H | 34 34 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2o1
ir: 2 4 5 4 5 4 6 3 2 3 5 4 4 8 5 9 6 7 4 14 25 36 38 7 1 9 9 2 2 5 7 3 3 11 9 5 7 6 4 4 10 25 50 5 7 13 5 5 8 8 5 3 9 25 12 36 76 11 3 1 3 7 4 0 4 7 8 17 12 6 3 2 5 5 3 7 7 21 9 2 5 7 5 4 5 9 4 16 5 6 4 3 5 5 3 3 4 4 9 7 20 27 7 3 6 5 3 3 6 4 3 6 31 7 0 3 7 3 3 7 7 3 0 5 13 14 6 10 5 3 2 4 5 3 2 18 14 13 1 5 5 2 2 10 10 22 55 8 21 23 11 100 42 3 4 5 7 3 4 8 4 1 3 5 10 2 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 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 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 1 3 5 3 2 3 4 3 2 4 4 2 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 4 2 3 5 4 2 3 5 4 3 6 9 11 94 24 26 5 8 5 5 5 4 85 18 5 2 4 5 4 2 4 5 4 2 6 7 7 13 20 10 10 8 6 5 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 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 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 93 93 s 1H | 79 79 m 2H | 79 79 s 1H | 77 76 m 4H | 76 75 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(OC(F)F)c1
ir: 2 3 7 7 12 4 8 3 3 3 1 3 6 3 4 1 4 4 7 6 3 2 2 3 2 1 1 2 8 17 7 2 2 1 0 3 3 0 1 1 1 0 1 2 2 1 50 24 2 2 1 2 1 3 1 9 10 6 11 35 19 24 14 10 6 4 7 39 19 9 7 14 23 22 70 95 100 28 16 7 6 4 11 3 1 1 1 2 7 63 49 1 0 1 1 1 1 1 3 7 1 1 2 1 0 4 5 2 1 1 2 2 2 3 2 9 8 8 5 4 8 6 7 3 3 2 6 9 4 6 2 1 0 1 1 1 0 4 5 11 51 19 8 2 4 2 1 1 1 1 2 18 12 3 4 11 7 2 1 0 21 3 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 2 2 2 1 3 6 5 1 3 15 6 19 35 100 64 16 4 1 3 3 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 t 1H J 79 | 70 70 ddd 1H J 13 22 80 | 69 68 m 2H | 66 66 s 0H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-n2cc(C#N)c3cc(O)ccc32)cc1
ir: 6 10 11 3 4 3 5 2 2 6 7 1 1 6 26 20 4 3 3 3 3 3 3 1 2 4 4 2 2 2 1 6 7 6 7 1 1 1 1 1 1 1 2 1 1 2 1 0 1 2 2 1 2 7 10 21 21 3 3 1 4 1 3 1 3 9 8 9 5 2 3 3 4 5 8 1 1 2 6 4 2 100 99 13 3 6 4 4 6 3 6 6 4 1 1 2 7 4 3 1 1 1 0 1 2 8 1 1 2 2 3 5 21 6 3 8 13 6 3 2 3 20 5 11 5 10 17 6 7 5 1 1 1 1 1 1 1 1 1 1 2 2 5 6 5 10 3 1 4 38 15 17 23 8 8 5 3 1 1 1 1 0 3 4 3 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 6 8 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 6 4 4 7 23 33 30 30 15 21 13 3 3 4 9 13 12 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 87 87 s 1H | 80 79 m 3H | 77 77 m 2H | 75 74 d 1H J 85 | 73 72 d 1H J 22 | 68 68 dd 1H J 22 84 | 44 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2n[nH]c3cc4c(cc23)CN(Cc2ccccc2)C(=O)N4)cc(C)n1
ir: 1 1 2 4 7 2 1 1 2 1 1 4 2 1 7 10 1 4 3 10 2 5 4 5 3 1 2 3 2 3 6 8 9 8 3 10 19 27 14 21 24 11 2 1 3 3 2 1 0 4 1 1 5 7 2 1 1 0 1 2 1 0 1 1 4 21 14 6 11 9 13 16 10 3 1 1 1 2 2 1 1 2 2 1 7 4 1 2 6 9 4 2 6 3 2 3 21 9 3 2 7 3 3 9 2 1 1 1 4 2 1 3 4 1 1 1 1 1 5 4 2 4 1 3 2 7 2 1 4 4 3 5 9 27 3 8 17 22 10 8 4 2 7 23 6 2 10 3 2 1 2 48 5 2 4 3 9 66 16 1 1 1 7 0 1 37 3 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 3 4 3 13 100 18 8 2 2 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 2 4 7 7 16 18 7 41 11 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 81 80 s 1H | 78 78 q 1H J 8 | 76 76 s 2H | 74 72 m 6H | 46 46 d 2H J 7 | 46 45 d 2H J 8 | 25 25 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)c(N)cc(Br)c1F
ir: 9 13 12 13 28 13 11 13 6 11 11 6 6 2 1 1 2 1 1 2 2 1 1 2 5 4 2 4 4 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 2 3 1 1 1 2 1 0 1 2 1 0 2 2 2 1 4 6 3 1 1 2 4 1 1 3 2 1 1 2 2 6 14 6 1 0 1 1 0 0 1 1 0 1 2 3 3 2 2 1 0 1 4 4 2 1 2 1 0 1 2 1 0 1 2 1 0 2 2 2 1 2 2 2 5 3 2 1 1 1 1 1 0 2 2 1 1 2 2 1 2 3 5 5 1 2 2 6 5 4 3 4 24 14 4 13 40 43 3 2 22 13 10 2 1 3 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 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 2 1 1 2 1 1 1 2 1 1 2 3 4 3 3 8 3 1 1 2 1 0 1 2 1 1 1 2 1 0 2 4 3 16 13 8 1 1 1 1 0 0 2 2 1 8 100 25 2 2 1 1 2 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 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; 1HNMR: 69 69 d 1H J 44 | 44 44 s 2H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1ccc2oc(/C=C/C(=O)OCC)c(C)c2c1O
ir: 1 3 10 6 10 9 5 2 4 2 3 3 10 7 4 3 2 2 3 4 11 12 5 4 5 11 5 2 2 2 1 1 2 2 2 1 1 1 2 5 1 3 3 10 11 2 2 10 10 1 5 8 15 32 12 17 3 5 3 3 6 11 4 5 4 1 3 5 20 11 4 15 26 3 6 21 8 2 1 6 12 46 53 86 12 6 47 17 4 2 3 3 1 1 2 1 2 2 2 1 3 3 4 4 4 3 6 3 3 8 12 7 7 21 3 6 8 5 7 4 3 2 2 3 7 5 18 7 7 10 2 2 2 3 1 13 13 10 3 2 4 4 3 10 85 24 6 12 69 3 3 2 1 7 25 3 2 2 2 3 15 7 1 0 1 1 2 8 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 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 0 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 3 4 3 1 5 6 9 7 11 14 20 100 14 30 27 7 5 6 6 4 5 9 53 9 2 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 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 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; 1HNMR: 87 86 s 1H | 73 72 d 1H J 161 | 71 71 dt 1H J 9 86 | 70 70 d 1H J 86 | 64 63 d 1H J 161 | 60 58 ddt 1H J 79 103 168 | 51 50 m 1H | 50 49 m 1H | 42 41 q 2H J 62 | 34 33 m 2H | 25 24 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.
COc1ccnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccn2)c1
ir: 1 3 3 3 3 2 5 4 2 1 2 3 4 2 3 2 15 3 3 2 5 5 11 7 2 1 4 8 5 4 4 7 5 4 6 3 9 13 18 79 13 8 3 3 13 9 8 3 18 5 2 9 6 29 11 0 4 6 1 0 2 2 1 1 9 2 2 2 2 6 8 16 7 12 6 4 3 4 4 5 8 15 9 1 1 1 1 1 2 3 3 15 5 4 1 2 6 4 1 4 10 3 2 2 2 2 3 3 3 2 1 4 7 4 1 2 3 2 3 3 5 7 4 9 7 22 4 5 9 5 3 3 3 3 50 11 9 4 1 3 3 5 9 5 1 5 5 32 16 100 4 16 15 4 7 8 5 6 15 6 2 3 3 3 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 2 2 3 4 2 3 3 17 9 8 11 50 18 7 4 2 2 2 1 1 2 2 1 1 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 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; 1HNMR: 87 86 dd 1H J 17 40 | 80 79 d 1H J 48 | 78 78 tt 1H J 9 20 | 77 77 m 2H | 77 76 td 1H J 16 72 | 75 74 t 1H J 81 | 74 73 dtd 1H J 9 20 80 | 72 72 ddd 1H J 15 40 71 | 66 66 d 1H J 48 | 50 49 m 2H | 44 43 dt 1H J 9 123 | 40 40 s 2H | 39 38 s 2H | 26 24 m 2H | 23 22 dddd 1H J 57 66 83 123 | 22 21 m 1H | 21 20 dddd 1H J 58 65 84 122 | 19 18 dtt 1H J 56 82 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1cccc(Cl)c1)c1ccc2c(c1)Cc1ccccc1-2
ir: 2 2 6 6 6 3 1 1 1 1 2 1 2 2 2 1 3 0 1 2 2 4 1 1 1 1 3 3 2 3 4 8 4 1 5 6 8 24 22 33 18 6 34 19 6 1 14 18 6 3 1 1 2 7 7 31 2 3 2 2 3 2 1 2 1 5 7 14 11 7 10 12 3 1 5 6 5 4 4 5 3 6 5 15 62 69 51 18 22 12 3 3 2 1 1 2 4 1 4 3 4 2 0 1 1 1 0 1 1 0 0 1 2 2 2 5 2 2 4 4 4 3 5 3 1 9 6 5 17 14 4 4 2 1 1 2 20 8 13 13 17 11 5 1 1 2 1 1 4 6 9 2 3 14 8 8 1 2 3 3 3 1 2 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 0 0 1 1 1 1 1 1 2 3 4 2 3 3 3 10 4 6 13 17 48 100 77 9 6 2 2 4 5 22 15 7 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 0 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; 1HNMR: 78 77 m 2H | 76 76 dd 1H J 12 73 | 75 75 d 1H J 14 | 74 73 m 7H | 59 58 m 1H | 41 41 t 1H J 9 | 41 41 t 1H J 10 | 25 24 d 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1
ir: 2 4 3 6 4 8 2 5 6 3 3 14 20 62 8 8 18 4 22 9 7 22 5 26 5 7 4 5 1 5 9 8 17 9 26 5 22 49 18 33 11 12 61 14 7 4 3 2 2 7 3 2 1 3 10 2 3 2 4 0 2 4 11 5 6 3 6 1 8 10 6 3 16 6 2 4 1 1 1 1 5 11 7 48 15 8 7 3 6 2 3 7 5 26 11 18 10 14 12 3 2 11 26 30 19 21 50 12 8 5 4 11 9 13 19 9 5 17 16 8 3 3 13 11 22 17 5 5 3 16 23 99 40 27 12 12 11 8 7 15 4 1 2 6 10 12 54 67 21 5 4 3 1 1 1 1 2 0 1 4 5 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 1 1 2 2 2 2 2 3 4 3 4 5 9 10 13 11 55 35 35 100 32 13 6 4 1 2 1 0 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 78 77 m 1H | 76 75 m 2H | 74 73 m 2H | 72 71 dd 1H J 50 61 | 40 39 ddd 2H J 11 20 124 | 39 39 m 2H | 38 37 ddd 2H J 12 22 127 | 37 36 m 2H | 25 25 tp 2H J 10 23 | 25 24 s 3H | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(OC)CC(C#Cc2cncc([C@H]3NC(=O)O[C@@H]3c3cccc(F)c3)c2)C1
ir: 1 3 3 5 5 6 2 11 16 10 10 40 15 38 12 6 7 6 6 4 4 5 5 5 13 22 3 6 7 11 6 7 9 54 6 1 3 2 7 2 5 3 3 2 4 3 5 84 9 6 6 0 4 14 7 3 3 4 3 7 7 3 3 5 8 4 4 9 23 14 6 3 5 7 5 4 4 3 5 14 19 10 7 2 3 3 1 3 13 5 2 1 3 6 5 3 2 3 8 3 3 5 3 4 3 5 3 2 17 11 11 14 79 12 4 11 25 48 4 8 10 7 2 31 27 37 6 8 6 4 3 6 8 8 6 4 5 3 3 4 8 6 4 2 3 1 3 2 5 2 7 20 13 7 21 83 46 10 3 8 16 2 3 3 2 0 2 3 2 1 2 3 1 0 2 3 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 3 1 2 2 2 2 4 11 8 6 6 9 5 6 11 8 36 100 30 10 4 4 4 7 5 1 2 3 2 2 2 4 3 2 3 3 2 3 6 11 36 50 25 5 7 9 16 11 2 2 2 3 1 2 3 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 86 m 2H | 79 78 dt 1H J 10 20 | 74 73 m 2H | 72 72 dt 1H J 20 119 | 71 70 m 1H | 70 69 d 1H J 73 | 57 57 d 1H J 65 | 55 54 m 1H | 33 32 s 5H | 32 31 p 1H J 64 | 23 23 d 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1ccc(-c2ccc(OCC(O)CCc3cccnc3)cc2)cc1
ir: 4 4 4 5 5 7 6 5 4 3 5 4 5 6 6 6 5 5 5 4 4 5 4 4 3 4 4 4 5 4 4 4 9 13 11 6 5 4 4 7 5 4 4 4 5 5 6 5 5 6 5 8 26 29 20 22 8 7 5 6 8 16 6 5 4 4 4 4 6 16 13 8 11 9 4 4 5 5 5 4 4 5 3 3 8 11 100 24 6 4 6 6 4 4 4 4 3 3 9 4 4 3 4 3 3 3 5 4 4 3 4 11 17 4 5 4 5 6 6 4 4 6 6 18 7 4 5 5 4 4 3 3 3 4 5 6 5 10 9 6 4 5 4 5 16 20 6 3 3 4 5 5 9 12 4 4 4 4 8 6 8 3 3 3 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 6 8 6 4 8 18 20 33 25 15 5 5 8 11 12 49 73 0 5 6 3 1 4 5 3 2 4 4 3 2 4 4 3 2 3 3 2 3 3 3 3 3 4 3 2 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 84 84 ddt 2H J 13 22 57 | 76 76 m 2H | 75 75 m 2H | 75 74 dtt 1H J 9 18 77 | 73 72 dt 2H J 9 83 | 72 72 dd 1H J 43 76 | 69 69 m 2H | 61 60 ddt 1H J 76 99 172 | 52 51 m 1H | 51 50 m 1H | 42 41 dd 1H J 54 118 | 40 38 m 2H | 35 34 d 1H J 56 | 34 34 dtt 2H J 8 16 74 | 29 28 dtt 1H J 9 92 150 | 28 27 dtt 1H J 9 93 150 | 21 20 dtd 1H J 68 93 143 | 19 18 dtd 1H J 68 92 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CNC(=O)C1C
ir: 1 11 12 5 5 9 8 10 6 19 8 20 31 52 34 15 7 5 10 11 16 9 13 19 18 29 27 18 24 19 15 5 6 7 3 3 4 2 4 13 8 4 5 5 1 4 4 4 3 3 3 0 1 2 1 1 1 6 5 1 2 6 2 4 7 15 5 4 5 7 9 7 6 12 10 7 6 2 3 1 3 3 2 1 2 2 1 1 3 3 3 2 2 3 2 5 9 8 5 2 5 6 5 5 15 5 4 5 5 21 26 17 12 6 9 15 8 23 4 13 16 16 14 6 5 3 3 5 18 21 23 27 6 4 4 2 2 3 2 2 2 4 6 100 26 86 8 2 2 3 9 25 81 78 100 21 5 5 2 2 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 5 2 4 2 2 2 5 4 4 10 7 6 12 24 12 10 5 0 2 3 2 1 2 2 1 1 1 2 1 1 2 3 4 4 6 2 2 5 6 7 19 95 69 47 10 6 5 4 2 2 2 1 1 1 2 2 1 3 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 51 50 t 1H J 38 | 42 40 m 2H | 38 37 m 1H | 35 35 m 1H | 30 29 m 2H | 13 12 t 3H J 63 | 11 11 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCC[C@@H](O)CO
ir: 6 4 2 6 5 5 6 6 4 8 6 6 2 6 5 4 4 5 8 3 6 5 4 2 1 3 3 6 3 10 5 2 3 8 7 3 4 7 5 5 3 3 2 1 3 5 12 6 8 3 3 2 2 2 3 2 17 5 2 1 2 2 2 0 3 3 3 9 4 5 5 2 2 2 1 3 2 3 2 2 3 7 1 2 2 3 3 5 19 10 6 7 7 4 2 2 4 1 1 2 3 3 2 1 2 1 0 1 1 1 1 3 4 5 0 2 5 9 5 1 1 1 5 1 2 1 1 1 1 1 1 1 1 1 1 3 17 1 1 1 1 1 1 2 4 1 1 1 4 3 1 4 2 3 11 4 2 3 11 26 3 20 30 27 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 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 1 1 2 2 1 1 2 1 2 2 3 3 1 3 4 3 8 7 5 2 2 3 12 38 100 39 9 4 4 2 1 2 2 2 14 1 2 3 8 8 18 24 5 4 4 6 6 22 11 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 88 88 d 1H J 27 | 75 74 m 2H | 74 73 s 2H | 71 71 dd 1H J 47 75 | 66 65 ddd 2H J 22 66 121 | 43 42 dt 1H J 59 115 | 42 41 dt 1H J 59 116 | 39 38 tdt 1H J 48 57 67 | 38 37 ddd 1H J 48 58 119 | 35 34 m 2H | 30 30 t 1H J 59 | 22 21 ddt 1H J 58 68 143 | 20 19 ddt 1H J 58 68 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(F)c(Br)c1
ir: 1 7 13 8 2 9 14 7 4 8 12 6 2 10 21 12 7 11 11 5 4 10 14 8 5 18 18 5 4 11 11 5 5 17 18 11 15 11 10 4 6 11 9 3 6 12 8 2 6 14 8 0 8 26 60 20 9 8 7 4 7 10 9 4 9 17 14 42 29 15 9 8 9 11 5 6 10 14 6 4 10 13 8 9 11 10 5 5 11 12 9 7 10 9 3 12 18 9 3 5 11 8 4 7 11 9 3 7 32 27 6 8 12 7 3 8 16 12 10 19 18 10 7 10 12 50 21 27 12 10 5 9 11 7 6 10 11 7 33 53 40 91 75 14 12 4 5 17 18 14 21 15 15 8 8 11 8 4 6 11 8 4 7 11 7 3 7 11 7 3 7 11 7 2 7 11 7 3 8 11 6 3 8 11 6 4 8 10 6 4 8 10 5 4 9 9 5 4 9 9 5 5 9 9 4 5 9 8 4 5 10 8 4 6 10 8 3 6 10 7 3 6 11 7 3 7 11 7 3 7 11 7 3 7 10 6 3 7 10 6 4 8 10 6 4 8 10 6 4 8 9 5 5 9 9 5 5 9 9 5 5 9 9 5 6 10 9 4 6 13 11 5 6 10 8 4 7 12 8 3 8 17 15 33 25 14 40 91 100 22 11 5 9 11 7 5 9 10 6 4 8 10 6 5 8 10 6 5 9 9 5 5 8 9 5 5 9 8 5 5 9 8 5 6 9 8 4 6 9 8 4 6 10 7 4 6 10 7 4 7 10 7 3 7 10 7 4 7 10 6 4 7 9 6 4 8 9 6 4 8 9 6 5 8 9 6 5 8 9 5 5 8 8 5 5 9 8 5 6 9 8 5 6 9 8 5 6 9 7 4 6 9 7 4 7 10 7 4 7 10; 1HNMR: 80 80 dd 1H J 22 35 | 79 78 ddd 1H J 21 39 81 | 74 73 dd 1H J 80 102 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccnc1Nc1cccc(CCc2ccccc2)c1
ir: 2 1 2 3 5 3 2 3 15 6 2 2 2 2 3 5 11 21 6 8 21 2 50 17 2 2 3 3 2 6 5 8 3 2 2 2 4 1 2 8 16 7 6 2 1 5 8 13 6 2 1 1 2 2 1 0 1 1 1 1 1 4 6 2 1 1 1 1 4 3 4 3 1 1 1 2 2 3 3 1 1 1 1 0 1 1 2 5 13 14 4 3 1 1 1 1 1 3 3 3 13 1 2 1 1 4 8 2 1 2 3 2 1 1 1 1 1 1 0 1 1 1 1 2 5 2 1 1 4 1 1 1 1 1 1 13 1 2 4 2 2 1 1 12 7 8 9 9 19 21 3 5 4 21 9 8 6 67 4 1 49 8 6 3 2 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 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 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 2 6 3 8 22 12 5 5 3 1 1 2 2 2 1 1 1 1 1 1 1 2 7 24 3 1 5 4 16 27 20 30 10 7 9 100 6 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 81 80 dd 1H J 21 47 | 75 75 ddd 1H J 11 21 79 | 73 71 m 8H | 70 69 m 2H | 45 44 s 2H | 29 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccn(Cc2ccc(I)cc2C(F)(F)F)n1)c1ccncc1F
ir: 3 1 0 1 1 6 3 7 0 1 2 9 5 7 4 2 2 5 1 1 1 1 1 2 2 1 0 1 2 13 8 2 2 1 2 1 3 1 2 1 1 1 2 2 30 5 1 1 2 3 3 5 9 57 69 18 12 10 3 1 2 1 1 3 1 1 1 5 3 3 1 1 2 5 9 5 1 1 3 1 5 1 1 1 1 1 1 2 1 1 1 2 6 5 2 7 11 4 0 23 3 2 2 1 3 10 3 1 16 3 1 19 1 1 1 1 1 2 2 3 3 5 2 1 2 1 1 1 1 4 1 1 0 1 1 0 15 1 0 1 1 2 3 18 10 5 6 0 12 31 8 4 13 9 26 1 100 12 3 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 0 1 1 0 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 2 11 9 17 34 6 7 4 8 8 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 5 40 12 4 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 86 85 m 2H | 79 79 t 1H J 45 | 78 78 dq 1H J 9 19 | 75 75 dd 1H J 22 68 | 75 74 dt 1H J 8 29 | 72 71 dt 1H J 9 68 | 63 63 d 1H J 31 | 56 55 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(-c2ccccc2)c2c(F)cc(F)cc2c1=O
ir: 4 2 0 2 4 2 0 2 4 2 2 4 7 5 10 3 5 2 2 5 3 2 10 22 24 22 5 6 8 2 5 7 4 2 4 5 6 16 7 3 3 1 2 7 8 24 12 17 29 12 4 3 2 1 2 3 2 1 2 3 2 2 3 4 4 7 7 10 7 6 3 4 2 1 4 5 9 3 100 4 9 2 2 3 7 3 2 2 2 2 5 5 1 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 4 2 5 2 3 2 3 7 4 2 1 2 3 2 2 2 3 2 1 2 3 2 4 28 5 4 1 3 3 3 1 2 21 61 8 15 5 5 17 5 5 44 5 4 3 2 2 3 3 1 2 4 3 1 2 8 2 0 2 3 2 0 2 3 2 1 3 5 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 5 4 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 3 2 3 4 4 3 12 42 11 7 7 10 3 2 3 2 4 62 36 39 6 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 3 2 1 2 3 2 1; 1HNMR: 87 87 s 1H | 78 78 dd 1H J 21 122 | 74 73 m 4H | 72 71 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1cnc2[nH]c(C(F)(F)F)cc2c1
ir: 6 2 2 3 1 1 1 2 2 2 2 14 11 2 3 3 1 2 4 2 2 3 2 2 2 2 2 2 2 1 2 3 4 1 2 3 3 9 17 35 30 12 3 5 2 2 6 7 3 1 1 1 1 1 2 3 3 2 1 1 1 2 2 1 1 1 2 4 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 3 2 7 4 1 1 4 5 100 48 7 2 2 2 3 4 9 5 0 1 3 4 9 8 9 21 6 2 1 2 3 1 7 55 45 5 5 2 6 6 2 1 1 2 2 1 1 3 3 1 1 2 3 5 6 5 4 28 18 2 3 1 1 10 7 3 99 56 13 33 22 5 8 4 2 0 1 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 0 7 16 12 11 7 8 5 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 3 11 28 19 13 16 44 15 5 1 1 2 2 2 3 4 4 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; 1HNMR: 90 90 d 1H J 18 | 88 88 m 1H | 74 74 dq 1H J 9 18
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Cc2ncccc2OC1
ir: 8 13 3 3 3 5 9 17 22 45 17 13 12 4 6 4 2 3 5 24 12 41 11 15 7 4 12 11 2 1 1 1 2 4 5 3 8 47 22 45 9 36 1 3 3 1 5 6 4 1 4 4 4 2 3 4 2 1 2 2 7 41 25 27 12 26 11 7 7 7 19 6 24 13 6 4 3 1 5 3 3 1 2 3 0 26 94 16 3 3 7 1 1 2 5 10 5 13 9 7 1 1 2 2 0 1 3 2 4 3 16 46 33 19 13 7 60 58 17 7 4 3 7 4 9 14 46 9 6 8 3 5 25 5 4 1 3 33 17 26 0 2 3 6 39 53 25 62 41 3 2 2 2 3 19 15 25 5 4 3 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 2 1 2 7 4 7 7 4 2 2 7 8 21 22 34 43 100 44 4 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 1 0; 1HNMR: 84 83 dd 1H J 22 44 | 79 79 t 1H J 9 | 72 71 dd 1H J 44 81 | 71 70 dd 1H J 20 81 | 51 51 d 2H J 10 | 43 42 q 2H J 71 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1cccc(CCl)n1
ir: 1 1 1 1 1 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 2 2 4 2 1 2 12 48 7 1 0 1 1 1 0 1 1 2 2 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 5 5 2 3 3 1 1 1 1 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 1 1 2 2 0 9 100 4 3 2 1 2 4 0 0 1 1 1 1 1 2 1 2 14 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 6 9 3 3 38 9 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 dd 1H J 72 78 | 71 71 m 2H | 46 46 d 4H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N)c1cccc(NCc2cccnc2)c1
ir: 1 7 15 20 8 3 2 9 13 6 5 3 2 2 2 2 5 3 4 5 10 4 5 3 3 5 5 2 4 2 9 7 15 16 8 7 9 2 2 2 2 1 1 1 3 6 8 32 7 4 5 3 2 0 12 4 3 2 6 4 1 1 13 4 8 5 20 33 31 20 37 8 6 6 2 4 27 12 3 3 4 4 4 4 2 2 2 1 1 3 4 10 3 4 2 1 1 2 3 3 2 2 2 2 3 26 12 3 2 5 6 4 41 6 2 4 10 13 4 8 11 7 6 7 10 7 4 10 17 12 10 14 40 21 10 4 3 12 7 39 11 11 37 9 6 3 2 1 1 2 1 4 8 33 9 3 18 9 23 11 1 6 10 9 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 3 4 4 7 19 20 17 12 4 4 3 2 2 2 3 1 5 7 11 12 17 14 12 10 9 14 8 100 37 29 46 34 12 5 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; 1HNMR: 86 86 dq 1H J 10 20 | 85 84 ddd 1H J 13 20 42 | 78 77 dtt 1H J 8 21 79 | 73 72 m 2H | 71 70 ddt 1H J 9 20 78 | 67 66 m 2H | 54 53 t 1H J 62 | 46 46 dt 2H J 9 62 | 40 40 m 1H | 19 18 d 2H J 57 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)[C@@H](CC(=O)O)Cc1ccccc1)c1nc(-c2cc(-c3ccccc3)ccc2Cl)cs1
ir: 5 4 3 1 3 2 1 2 2 2 4 2 2 1 1 2 1 1 3 1 0 2 1 1 1 1 0 1 2 0 9 12 3 2 1 1 1 4 8 8 6 59 20 3 4 10 2 4 2 1 1 1 1 6 25 2 1 1 1 1 1 1 1 0 1 2 3 11 8 5 4 3 1 1 4 2 7 2 3 4 1 5 2 1 7 7 3 2 2 9 4 2 1 2 4 2 2 2 2 2 2 3 15 4 1 2 2 4 4 7 5 3 2 3 7 5 2 2 6 10 5 7 5 4 5 4 2 3 9 3 2 4 4 2 9 19 7 2 1 2 3 25 31 7 46 5 6 1 1 1 1 14 2 2 2 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 1 1 1 2 2 1 1 4 5 2 3 3 5 6 13 3 7 6 17 27 100 42 12 4 4 3 3 4 21 20 3 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 23 | 76 75 m 4H | 75 75 s 1H | 75 74 m 2H | 74 73 m 1H | 73 72 m 5H | 37 37 s 2H | 36 35 tt 1H J 78 86 | 31 30 ddt 1H J 9 79 138 | 29 28 m 1H | 29 28 m 1H | 26 26 dd 1H J 87 164
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](CC(C)C)C(=O)NCCC1(C=O)C=CC=CC1
ir: 6 7 0 3 2 1 1 3 4 1 1 3 5 6 3 3 4 2 7 7 9 2 1 3 3 7 6 19 28 6 11 8 7 9 33 19 24 37 24 8 15 23 39 12 38 8 4 10 3 3 5 6 3 2 3 6 4 1 4 5 3 1 4 2 2 0 3 4 2 14 5 6 2 1 4 3 1 1 2 3 2 2 3 8 3 2 2 2 1 3 2 3 2 1 3 3 6 3 2 2 2 4 3 4 4 19 18 5 8 6 9 5 3 6 5 6 5 9 21 5 3 9 5 3 2 4 3 3 2 1 5 11 10 6 10 7 3 4 5 15 22 24 42 100 43 67 26 27 18 31 12 6 3 4 4 1 4 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 2 6 3 3 3 4 6 2 4 4 3 4 2 5 7 11 16 37 12 4 2 2 3 2 1 2 2 2 2 2 2 1 2 3 2 2 4 10 14 29 53 39 56 42 17 18 13 5 4 3 3 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 98 98 h 1H J 9 | 77 77 d 1H J 81 | 69 69 t 1H J 49 | 61 60 m 2H | 59 59 dtd 1H J 11 53 85 | 58 57 dp 1H J 11 88 | 43 42 dt 1H J 64 80 | 33 32 dtd 1H J 49 58 137 | 32 31 dtd 1H J 49 59 137 | 24 23 m 1H | 21 20 m 2H | 20 20 s 2H | 19 18 m 1H | 17 15 m 2H | 14 14 ddd 1H J 65 82 139 | 9 9 d 3H J 64 | 9 8 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1Cn1nc(COC(=O)C(c2ccc(Cl)cc2)C(C)C)oc1=O
ir: 3 24 7 2 8 4 15 16 9 5 17 5 4 3 3 3 7 13 11 4 2 2 5 3 4 2 5 2 2 2 1 1 1 1 6 6 2 2 3 3 3 15 29 44 9 1 11 5 8 23 7 1 4 2 10 66 8 0 2 3 2 1 2 3 3 1 2 1 4 8 8 2 1 1 2 5 3 3 2 1 1 1 2 2 1 2 2 3 3 7 11 10 4 9 6 6 1 4 5 3 6 6 1 2 1 2 2 3 9 6 2 3 10 2 5 8 3 7 7 11 12 9 4 6 7 8 30 8 3 2 3 13 9 3 2 1 2 11 3 2 2 2 4 33 100 7 9 28 9 9 4 2 35 7 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 3 3 7 3 2 3 5 4 6 3 5 15 18 30 61 17 8 4 6 3 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H | 73 72 m 2H | 72 71 m 4H | 52 51 d 2H J 8 | 49 48 d 2H J 68 | 35 35 dddd 1H J 8 16 33 90 | 24 23 d 3H J 7 | 24 22 dhept 1H J 70 80 | 9 9 ddd 6H J 15 71 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCNc2ccccn2)CC1
ir: 3 7 5 6 14 10 7 5 3 4 7 7 9 10 8 12 9 15 9 11 11 8 4 8 3 8 14 6 11 14 11 7 23 39 17 5 17 17 64 16 15 6 37 9 4 8 5 1 1 4 5 3 14 39 11 5 5 6 4 2 8 4 6 7 15 12 5 4 13 9 18 4 6 5 9 2 2 9 7 18 29 13 20 17 11 14 5 4 4 2 4 2 14 16 6 4 4 5 5 7 8 11 11 3 4 2 4 3 3 3 5 7 8 3 2 2 3 3 6 6 6 9 3 6 4 6 3 5 4 2 4 3 4 2 8 16 22 11 7 4 10 2 30 36 42 44 28 13 20 30 4 6 3 10 13 8 8 18 27 13 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 2 5 14 12 10 100 56 12 8 2 4 1 2 1 1 2 2 2 2 2 2 2 2 1 2 3 3 11 4 13 18 78 72 26 19 15 3 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 dd 1H J 17 43 | 78 78 td 1H J 16 72 | 70 69 ddd 1H J 15 72 84 | 69 69 m 2H | 69 68 dd 1H J 15 72 | 66 65 ddd 1H J 14 44 71 | 64 64 dd 1H J 13 76 | 57 56 t 1H J 43 | 39 38 s 2H | 35 35 td 2H J 42 61 | 30 30 m 4H | 28 28 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Br)c(=O)c(C=O)c(C)n1Cc1c(F)cccc1F
ir: 3 9 13 8 3 10 11 8 2 7 9 6 3 9 12 7 4 12 11 9 22 13 13 4 7 11 9 4 4 9 7 4 3 9 7 4 5 14 10 13 14 13 8 4 12 34 78 51 15 15 13 6 5 11 6 3 7 12 32 10 8 11 6 1 7 11 11 2 13 13 34 24 14 19 10 4 9 14 4 6 13 20 3 4 8 9 2 3 10 12 0 90 16 13 6 5 8 6 2 24 10 7 4 5 10 7 4 7 13 12 14 14 13 7 4 9 13 8 3 13 12 7 4 7 10 6 3 7 8 5 3 7 10 7 5 10 10 8 24 82 17 21 8 14 25 11 7 9 7 4 4 8 8 6 7 5 100 14 74 69 30 5 9 11 7 2 5 11 7 1 5 10 5 1 6 10 5 2 6 9 5 2 6 9 5 2 7 8 4 3 7 9 4 3 7 8 4 3 7 8 3 4 8 7 3 4 8 7 3 4 8 7 2 4 8 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 2 6 8 5 3 6 8 4 3 7 8 4 3 7 8 4 3 7 7 4 4 7 7 4 4 8 7 3 4 8 7 3 5 9 12 7 5 8 8 4 8 9 8 3 6 9 8 22 24 10 19 55 57 14 24 6 11 13 12 3 6 9 5 3 7 9 5 3 7 8 4 3 7 8 4 3 7 7 4 4 7 7 3 4 8 7 3 4 8 6 3 5 8 6 3 5 8 6 3 5 8 6 2 5 9 5 2 5 8 5 2 6 8 5 3 6 8 5 3 6 8 5 3 6 7 4 3 7 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 6 3 4 7 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8; 1HNMR: 74 73 tt 1H J 51 77 | 70 69 ddt 2H J 7 77 102 | 52 52 t 2H J 47 | 24 23 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Oc1c(Br)ccc2ccc(-c3nnc4ccccn34)nc12)C(F)(F)F
ir: 1 1 1 3 10 1 3 2 5 2 3 1 3 1 2 1 2 1 1 1 1 1 2 1 2 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 11 6 4 4 1 1 1 2 2 1 1 1 1 4 6 2 2 1 1 1 1 1 1 5 9 3 1 1 3 1 1 2 1 1 1 1 2 0 100 2 1 3 5 1 1 1 1 1 1 1 1 10 1 1 1 1 1 1 1 1 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 3 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 7 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 dd 1H J 13 89 | 82 82 d 1H J 80 | 81 81 m 1H | 78 78 m 1H | 78 77 m 2H | 76 75 m 1H | 73 72 ddd 1H J 13 70 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ir: 4 5 6 6 2 22 32 59 20 11 14 9 5 4 4 10 5 9 13 2 1 2 2 1 2 2 2 2 2 10 8 3 12 5 6 31 6 4 4 21 7 8 3 4 6 3 5 1 2 3 3 33 11 18 5 35 8 9 10 8 10 6 22 4 11 5 8 13 7 3 2 3 5 5 5 2 3 7 5 9 5 3 3 8 52 25 7 4 2 32 15 2 7 7 3 3 4 4 4 4 7 5 2 1 2 4 3 4 26 6 5 16 44 58 16 27 21 35 37 29 35 16 7 7 5 6 3 4 10 7 11 5 4 9 48 19 65 4 8 43 4 5 65 4 5 68 10 4 5 30 8 100 24 64 6 13 60 1 1 5 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 3 3 6 2 4 4 4 4 8 13 4 4 5 5 9 19 96 26 39 100 38 26 7 3 4 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dd 1H J 21 45 | 76 75 m 1H | 73 72 m 3H | 71 71 d 1H J 88 | 41 40 q 2H J 65 | 36 36 ddd 2H J 33 60 119 | 33 32 m 4H | 29 28 td 2H J 9 95 | 24 23 ddd 2H J 33 60 136 | 22 21 ddd 2H J 33 59 136 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)ccc1OS(C)(=O)=O
ir: 2 2 1 1 1 1 3 1 1 2 2 1 1 2 3 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 2 1 1 1 1 1 4 11 3 2 3 2 2 1 6 8 2 2 2 6 1 1 1 1 2 2 1 4 1 8 1 7 8 3 2 1 1 1 1 1 1 1 1 1 1 2 2 11 35 11 3 2 1 1 1 1 1 2 2 3 3 3 5 11 6 2 1 1 1 1 2 1 2 3 1 1 1 1 1 3 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 3 1 1 1 3 6 7 2 1 6 1 2 2 3 7 25 4 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 2 3 19 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 5 100 8 3 0 1 2 1 1 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 70 m 3H | 70 69 m 3H | 69 69 dt 1H J 9 18 | 49 48 t 1H J 52 | 42 41 t 2H J 59 | 38 38 s 3H | 33 33 ddt 1H J 8 53 137 | 32 32 s 3H | 31 30 ddt 1H J 8 52 137 | 30 29 tt 2H J 9 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(C(=O)NCC(O)(CNC(=O)c2c(Cl)cccc2Br)C(F)(F)F)cnn1-c1ccc(F)cc1
ir: 6 4 7 6 14 5 5 6 4 3 16 17 14 7 6 14 11 9 2 45 10 8 24 9 3 10 7 3 3 2 4 3 5 5 17 23 20 7 6 5 4 2 4 5 6 3 21 28 4 8 2 3 7 13 46 15 5 3 2 1 2 2 3 2 2 2 1 1 3 7 9 5 2 1 3 1 2 1 3 1 8 10 10 6 1 1 2 2 2 2 3 1 1 1 10 4 11 31 52 34 9 5 2 10 14 4 4 3 2 4 6 4 2 1 1 1 1 1 2 2 3 6 1 2 3 1 3 9 2 18 9 3 0 2 2 3 2 16 10 4 3 17 24 41 8 19 35 6 10 11 4 14 8 1 2 29 8 100 15 54 5 2 1 1 1 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 1 1 1 0 1 2 4 8 4 9 36 21 4 3 2 18 7 2 2 1 1 1 1 1 1 1 0 4 27 6 3 1 1 49 41 10 9 1 2 9 15 68 9 2 1 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 t 1H J 88 | 79 79 s 1H | 79 78 t 1H J 88 | 76 75 ddd 3H J 13 33 83 | 75 75 dd 1H J 12 81 | 74 73 t 1H J 82 | 73 72 m 2H | 71 71 s 2H | 48 47 q 1H J 33 | 39 38 ddq 1H J 26 88 146 | 38 37 ddq 1H J 24 88 137 | 37 36 ddq 1H J 25 88 145 | 36 35 ddq 1H J 24 88 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nn(Cc3cccc(Cl)c3)nc2n1
ir: 5 3 3 4 3 4 3 3 4 6 4 3 4 9 2 4 3 3 3 3 6 3 3 3 3 3 3 11 4 4 4 4 10 3 3 3 3 3 3 4 3 3 3 7 4 7 21 16 3 4 3 2 3 4 3 2 3 4 2 1 3 4 5 2 5 13 10 28 7 0 4 4 2 2 3 3 3 3 5 5 4 24 3 3 4 6 12 8 3 3 3 5 4 4 3 5 4 7 5 5 3 3 3 3 5 3 3 3 4 11 10 7 5 5 3 4 3 5 3 6 10 8 13 8 12 18 3 5 6 7 7 4 5 3 3 9 4 5 3 6 31 4 3 2 2 13 2 2 2 3 3 1 2 100 14 16 14 18 5 0 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 3 3 5 3 3 3 3 4 4 3 20 8 10 19 9 4 4 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 2H | 73 72 m 2H | 57 57 d 2H J 9 | 42 41 m 2H | 38 37 tt 2H J 29 59 | 23 22 tt 2H J 61 142 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(c1ccc(CBr)cc1)C(C)C(F)(F)F
ir: 8 12 13 6 11 16 7 3 3 3 7 3 4 9 2 4 6 3 2 2 2 2 2 2 2 7 2 3 7 2 4 3 3 13 4 3 3 2 3 3 3 2 3 2 3 2 2 3 3 3 3 3 6 6 20 13 59 17 5 11 3 2 3 8 5 2 4 7 11 5 4 4 4 6 13 16 8 5 8 4 3 3 2 2 2 3 3 3 4 14 2 3 11 58 22 10 6 7 11 27 7 7 12 13 6 8 9 73 100 8 7 4 0 4 9 5 6 14 9 6 15 6 7 8 9 6 26 10 16 4 6 2 7 5 4 3 3 3 3 2 2 3 3 3 11 56 7 4 19 8 4 3 5 6 4 2 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 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 3 5 4 3 3 4 4 8 5 2 6 8 12 5 8 20 22 14 26 36 33 7 5 4 6 2 2 3 4 2 2 3 2 1 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 1 2 2 2 2 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 s 4H | 45 45 s 2H | 42 41 p 2H J 64 | 38 38 dtt 1H J 9 16 95 | 33 32 ddp 1H J 48 95 144 | 12 11 m 3H | 11 11 dqd 3H J 15 35 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(N2CCS(=O)(=O)CC2)nc1
ir: 1 2 7 13 13 6 7 10 3 14 11 8 8 10 8 10 8 8 17 26 58 100 25 24 10 1 2 2 3 5 3 4 5 3 12 19 21 12 5 6 3 1 4 4 4 1 1 1 2 5 6 10 12 30 29 17 5 5 2 2 1 1 1 4 2 2 4 2 4 10 13 4 6 10 11 15 17 18 14 28 18 14 15 8 34 23 37 12 10 7 29 4 1 2 3 2 3 1 4 5 8 16 28 19 23 64 20 4 0 1 3 1 1 3 13 36 14 2 3 4 8 8 3 3 11 6 8 8 3 6 6 6 3 2 1 2 2 3 9 53 27 23 18 7 4 1 2 2 1 3 3 6 15 20 17 7 2 1 1 1 2 14 31 3 2 2 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 0 0 0 0 1 1 1 1 0 1 2 4 7 9 2 4 0 2 3 1 1 45 33 11 10 20 6 5 1 1 1 1 2 19 35 41 6 3 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 18 | 79 79 dd 1H J 18 75 | 68 67 d 1H J 75 | 38 37 m 4H | 33 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2c3ccc(I)cc3OC2C1
ir: 1 5 6 9 11 19 5 3 1 5 45 15 5 1 4 6 1 2 3 3 1 10 2 2 4 2 1 1 1 1 1 0 1 1 5 0 1 1 1 1 1 2 2 1 0 1 0 1 1 2 2 1 13 3 10 3 6 3 10 0 1 5 2 3 1 1 3 12 1 2 2 7 1 0 1 2 1 0 1 2 0 0 1 1 0 0 3 15 11 24 2 4 4 1 1 1 3 2 2 1 2 3 2 2 3 5 1 3 2 2 1 3 4 11 11 9 10 13 11 14 4 8 19 9 3 2 5 6 6 6 8 8 4 2 1 5 11 2 1 2 6 55 2 0 0 1 1 0 2 8 4 50 4 1 2 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 1 2 3 2 4 4 3 3 2 1 4 3 3 5 6 10 3 35 11 14 100 22 2 2 3 1 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 22 79 | 72 71 m 2H | 51 50 dt 1H J 26 50 | 40 39 dd 1H J 25 120 | 38 37 m 2H | 36 35 ddd 1H J 60 87 123 | 34 34 m 1H | 23 22 dddd 1H J 48 59 86 132 | 20 19 dddd 1H J 46 59 86 128 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(c2c[nH]c3ccc(CCC(N)=O)cc23)CC1
ir: 2 2 3 1 2 3 2 1 1 1 2 1 3 2 2 3 3 7 18 3 5 2 9 13 8 6 2 7 2 5 3 12 35 1 3 3 2 3 2 2 2 13 1 3 1 0 1 1 1 0 3 3 2 17 8 2 1 2 2 1 1 0 1 1 2 3 3 3 2 1 2 2 1 0 2 5 2 18 2 5 22 2 0 0 1 1 0 1 2 4 0 1 2 2 1 1 2 4 2 15 2 1 1 2 1 7 4 2 4 12 2 2 2 2 6 1 2 1 2 3 2 5 5 1 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 0 2 6 2 2 6 5 2 1 1 1 1 1 1 10 9 2 2 17 9 2 1 1 1 4 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 3 3 1 1 1 1 1 1 2 10 2 6 10 2 3 7 14 1 1 2 1 1 1 1 1 0 1 1 1 1 22 1 1 1 1 1 0 5 21 10 3 7 29 100 8 8 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 71 | 74 73 m 1H | 73 72 m 2H | 70 70 m 1H | 66 65 s 2H | 30 29 m 5H | 26 26 m 1H | 26 25 m 3H | 24 23 s 2H | 22 21 ddt 2H J 56 84 123 | 20 19 ddt 2H J 57 86 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1)CC(=O)O
ir: 1 2 1 1 4 1 1 3 4 8 1 2 4 5 2 3 4 7 4 2 4 38 11 8 5 5 4 6 2 7 4 1 2 4 6 13 5 2 38 9 5 6 3 11 15 2 2 1 1 1 0 0 1 3 6 9 1 2 3 1 0 1 1 2 2 3 2 5 4 3 1 0 1 5 2 1 1 4 19 9 6 4 5 8 3 2 2 5 2 10 1 1 6 2 8 1 4 1 1 1 1 1 0 2 4 3 16 20 2 1 1 7 3 1 1 3 2 1 5 3 1 2 3 1 2 1 4 1 1 1 1 2 1 1 5 5 2 1 1 1 3 25 4 5 4 3 1 0 5 12 3 12 2 14 11 5 100 52 1 0 1 1 9 10 7 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 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 1 0 1 1 1 1 0 1 1 1 2 9 6 3 18 8 1 1 0 1 1 1 2 16 19 2 2 0 0 1 1 1 1 1 2 1 1 2 4 14 24 10 4 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 84 84 s 1H | 82 82 s 1H | 79 79 dd 1H J 22 33 | 75 75 ddd 1H J 21 35 77 | 72 71 dd 1H J 77 102 | 66 65 dt 1H J 47 152 | 64 63 dt 1H J 14 152 | 46 45 s 2H | 37 37 t 2H J 46 | 34 34 s 2H | 34 33 dd 2H J 13 48 | 32 31 m 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(NCc2ccncc2)sc1Cc1c[nH]c2ncccc12
ir: 4 8 12 12 10 27 30 7 11 15 18 8 10 9 13 36 9 3 5 2 13 12 12 5 2 5 19 18 8 2 5 12 6 6 4 9 6 13 37 28 29 14 10 1 3 9 6 2 2 2 3 1 3 2 2 1 1 2 1 2 2 8 37 37 25 2 7 0 8 9 13 24 27 9 7 4 4 8 6 4 3 4 6 8 2 12 11 11 12 14 11 3 4 8 3 11 24 27 24 14 10 3 2 3 2 7 11 17 10 4 24 23 3 6 3 2 3 4 6 8 16 13 15 6 8 5 5 2 2 4 8 3 2 1 3 2 5 3 7 31 48 22 37 14 23 14 21 31 20 3 11 82 42 9 25 45 7 4 59 63 46 8 3 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 4 2 2 2 6 3 9 21 18 45 72 83 28 43 8 9 6 3 2 1 1 1 1 2 2 2 2 2 4 3 2 5 7 10 67 88 100 41 23 13 4 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 d 1H J 66 | 87 86 dd 1H J 20 38 | 85 84 m 2H | 84 83 dd 1H J 20 75 | 73 73 m 3H | 72 71 t 1H J 49 | 70 69 dq 1H J 7 66 | 48 47 dt 2H J 9 48 | 42 41 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CNC(=Nc1ccncc1)NC#N
ir: 3 2 4 4 2 6 3 10 8 5 7 5 9 8 6 6 17 24 5 19 31 19 13 8 5 7 12 11 11 19 14 22 13 23 8 6 6 3 8 12 4 5 3 3 2 4 3 2 7 4 5 2 2 1 2 1 1 2 1 4 3 2 1 13 4 3 6 6 11 7 11 11 16 15 11 3 1 3 2 2 1 1 2 2 3 3 9 20 100 16 9 4 4 3 2 2 3 1 1 2 1 2 1 2 2 3 3 2 3 2 2 67 1 4 5 9 2 8 9 23 4 4 5 3 4 12 3 4 6 29 7 5 3 1 2 4 8 30 10 5 2 2 1 1 1 3 2 26 3 2 3 6 3 28 40 7 5 0 1 2 38 1 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 1 1 1 1 1 1 1 3 3 1 2 1 1 2 1 1 3 3 1 3 8 8 4 5 4 10 2 3 3 4 5 8 86 51 18 5 1 3 3 1 2 3 2 2 4 4 7 15 31 76 86 30 12 4 4 4 3 1 3 2 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: 86 85 m 2H | 71 71 m 2H | 60 60 t 1H J 49 | 48 48 s 1H | 39 38 qdt 1H J 40 51 64 | 36 36 ddd 1H J 38 48 128 | 34 33 ddd 1H J 38 48 128 | 28 27 d 1H J 51 | 11 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OCCN1CCN(C=O)CC1
ir: 5 3 2 2 2 1 1 1 2 2 3 3 1 1 2 4 1 100 77 19 0 4 3 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 2 1 2 1 1 3 2 2 3 1 1 1 1 1 3 4 1 2 2 1 8 5 5 3 4 9 8 7 8 10 3 8 8 9 4 2 0 5 29 76 6 1 23 59 4 6 7 6 2 5 2 4 9 6 5 18 11 3 4 5 8 5 22 37 13 2 28 19 5 2 1 2 2 3 7 11 5 1 1 2 5 2 13 3 13 5 8 4 2 2 2 1 1 6 2 2 1 2 1 3 2 2 4 3 19 83 17 4 2 1 2 2 1 1 1 2 23 21 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 6 1 2 6 13 3 3 12 4 2 2 2 2 2 10 30 3 2 1 1 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 p 1H J 9 | 59 58 dq 1H J 9 17 | 56 56 dq 1H J 15 27 | 43 43 t 2H J 61 | 37 36 ddd 4H J 9 33 57 | 30 29 t 2H J 61 | 27 27 m 4H | 20 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(C2CC3CCC2N3)cn1
ir: 18 16 41 26 29 28 21 23 9 27 8 5 5 5 6 8 12 10 7 6 6 6 6 4 4 7 6 8 5 6 8 2 3 17 75 33 81 0 3 10 9 1 4 8 7 2 5 8 7 4 13 25 47 53 62 15 8 0 6 12 6 4 9 16 16 4 21 23 10 10 14 11 29 100 26 59 23 71 11 6 5 4 5 6 4 6 8 7 4 5 5 6 3 4 10 17 5 6 31 23 20 13 15 7 6 12 12 30 27 27 49 64 13 20 13 18 6 7 7 9 4 5 9 8 6 7 9 5 5 7 7 13 13 7 5 8 16 97 66 5 4 6 6 4 3 5 5 6 18 17 17 8 5 8 6 4 5 6 5 1 37 38 5 3 4 6 4 3 4 6 4 3 4 6 4 3 4 6 4 3 5 6 4 3 5 6 4 3 5 5 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 5 3 4 6 5 3 4 6 5 3 4 6 4 3 4 6 4 3 4 6 4 3 4 6 4 3 5 6 4 3 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 3 4 5 5 4 4 5 5 4 4 6 5 4 5 7 7 4 6 7 9 5 8 12 12 12 12 14 15 16 5 7 8 6 6 17 46 47 23 4 5 4 5 5 4 8 43 49 6 3 5 5 4 4 5 5 4 4 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3; 1HNMR: 78 78 dd 1H J 8 19 | 75 74 m 1H | 65 64 d 1H J 84 | 36 35 dddd 1H J 20 31 43 51 | 34 33 tt 1H J 19 41 | 30 30 m 1H | 23 23 t 1H J 42 | 23 22 ddd 1H J 30 50 136 | 20 19 m 2H | 19 18 dddd 1H J 20 40 60 130 | 17 16 dddd 1H J 19 40 60 130 | 16 15 dddd 1H J 21 40 60 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(Oc2ccnc(C(F)(F)F)c2)c(F)c1
ir: 3 1 2 1 5 4 9 7 5 2 1 1 2 2 1 2 2 10 4 2 2 4 6 4 2 1 0 1 1 0 1 1 1 1 8 1 1 1 1 1 0 1 1 1 2 4 5 2 1 1 4 12 2 6 11 17 2 2 2 2 1 0 3 3 13 5 6 22 19 2 1 1 3 11 12 2 1 1 3 1 1 4 6 5 9 32 100 46 4 10 8 3 3 12 68 2 4 12 35 3 4 10 7 3 1 1 1 1 5 2 1 1 0 0 0 1 2 2 2 1 1 1 1 4 3 2 2 1 0 0 0 0 0 0 0 0 1 5 1 0 0 1 3 1 1 5 7 2 9 12 4 1 3 4 1 1 1 0 1 4 9 31 4 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 0 2 3 2 1 1 2 3 3 9 24 23 3 3 3 3 3 8 56 20 7 2 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 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; 1HNMR: 85 85 d 1H J 40 | 72 72 d 1H J 23 | 71 70 ddt 1H J 8 17 121 | 70 69 ddt 1H J 9 18 85 | 69 68 m 2H | 46 45 dt 2H J 8 56 | 31 31 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1OC(=O)C2=C[C@@H]3CCCC[C@H]3[C@H](O)[C@@H]21
ir: 4 2 1 1 2 3 3 4 4 2 4 3 2 3 1 2 1 4 5 3 4 4 2 1 2 1 0 1 4 1 1 4 5 1 1 0 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 6 5 1 1 2 1 1 3 3 1 3 3 4 5 4 4 2 4 3 7 5 7 10 20 13 17 14 11 4 3 4 4 3 2 4 3 3 2 5 5 6 13 13 7 6 5 1 8 3 2 3 4 4 3 8 5 1 4 1 3 3 5 8 10 7 8 7 4 2 2 1 1 1 1 2 0 0 0 1 0 0 0 1 1 3 28 3 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 2 1 1 3 2 3 4 7 9 5 6 4 4 5 2 4 16 16 6 9 3 6 7 6 12 8 8 47 100 37 19 6 3 4 3 2 3 4 3 2 2 2 3 3 2 2 2 2 2 2 4 2 2 3 1 1 1 1 1 0 1 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; 1HNMR: 66 66 ddq 1H J 9 19 79 | 47 46 p 1H J 54 | 41 40 m 1H | 36 35 d 1H J 59 | 29 28 tdt 1H J 10 36 59 | 24 23 m 1H | 18 17 m 2H | 16 13 m 7H | 13 13 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2ccc(F)cc2)c1C(=O)NN
ir: 2 1 1 2 0 1 0 0 0 0 0 1 0 1 0 0 1 1 0 1 0 2 1 1 2 3 6 13 4 2 2 1 1 1 1 0 11 12 1 1 1 1 1 0 5 10 2 0 1 2 2 0 5 13 100 57 7 3 1 3 2 6 12 10 4 12 7 8 2 4 2 3 5 1 1 0 4 0 0 0 0 0 1 1 4 4 9 10 2 1 0 0 0 1 1 1 4 1 0 0 1 1 3 2 0 0 0 0 1 1 1 2 3 1 1 2 1 1 0 1 2 1 1 1 1 2 0 1 1 3 1 3 23 30 21 3 4 2 0 2 11 18 2 2 17 5 2 1 3 3 8 22 4 0 1 3 12 2 1 2 8 1 1 22 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 7 9 21 5 4 2 1 1 1 1 1 1 1 1 0 1 5 13 4 2 2 1 1 10 13 27 26 12 23 14 4 1 1 2 2 1 0 1 0 0 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 t 1H J 38 | 81 80 m 2H | 76 76 s 1H | 74 73 m 2H | 45 44 d 2H J 37 | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1
ir: 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 2 3 8 3 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 5 1 2 2 1 1 1 2 2 2 2 36 0 3 1 2 1 1 1 2 3 2 1 1 1 2 1 1 1 1 1 3 4 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 1 1 2 2 1 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 1 1 3 2 100 2 0 3 6 4 46 5 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 16 5 7 3 3 2 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H | 78 77 t 1H J 46 | 75 75 m 2H | 73 73 s 2H | 55 54 t 2H J 48 | 30 29 m 4H | 27 26 m 4H | 19 18 p 4H J 20 | 17 16 ttd 2H J 7 57 79 | 15 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(I)c3n2)c1
ir: 5 4 2 1 2 2 1 3 3 4 1 3 2 2 2 4 3 6 4 3 2 2 2 2 1 1 1 2 1 1 1 1 1 1 4 3 3 3 3 17 3 2 2 2 5 5 5 6 5 3 1 3 4 17 37 20 16 27 13 18 22 17 14 5 6 5 15 9 16 7 3 3 2 2 6 25 5 5 11 6 1 2 3 2 3 13 7 2 4 4 4 8 3 3 2 2 2 8 24 15 10 4 7 14 2 11 7 16 24 31 20 24 15 15 13 11 9 7 8 18 10 5 3 10 6 8 4 8 37 6 3 5 4 2 1 1 1 1 1 1 2 2 14 22 2 2 2 1 4 18 5 20 12 9 2 2 1 1 3 7 10 8 1 1 1 1 1 1 1 0 1 3 7 73 2 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 2 1 2 2 1 2 2 3 1 2 1 2 2 8 9 14 4 5 6 10 12 23 11 27 100 28 40 98 56 32 11 22 4 0 3 2 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 d 1H J 68 | 78 78 s 1H | 73 73 dddd 1H J 7 21 30 121 | 73 72 ddd 1H J 47 88 101 | 72 71 m 1H | 70 70 d 1H J 68 | 51 50 tqd 1H J 7 18 46 | 38 37 m 1H | 36 36 m 1H | 23 22 m 1H | 22 21 m 1H | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(O)C2CCC(F)(F)CC2)C1
ir: 9 9 7 10 13 69 16 6 16 17 7 45 0 10 12 7 4 6 5 3 4 5 7 4 2 4 4 3 2 4 6 3 5 6 4 3 2 4 6 4 3 4 4 5 5 5 4 3 4 5 4 2 5 11 4 3 5 8 6 3 5 9 7 6 5 6 5 4 5 6 6 5 5 6 4 9 7 6 6 13 14 13 6 4 12 41 49 37 30 48 29 17 8 6 9 5 8 5 4 6 7 10 7 5 6 5 8 52 20 10 16 34 12 5 6 22 41 21 20 16 9 11 40 11 9 7 6 24 12 26 29 8 19 38 9 3 3 4 5 4 3 4 4 4 3 4 4 4 4 7 10 86 6 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 4 4 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 4 3 3 3 4 4 4 4 5 9 7 8 6 10 11 15 7 11 6 7 6 6 67 85 10 8 5 5 5 5 4 7 10 32 100 34 9 6 5 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 38 37 m 1H | 37 35 m 2H | 35 34 m 2H | 28 28 d 1H J 53 | 22 21 dtt 1H J 40 49 79 | 21 20 m 1H | 20 19 m 2H | 20 19 m 1H | 19 18 m 3H | 18 18 ddd 1H J 14 26 63 | 18 17 m 1H | 17 15 m 3H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)COc1ccc([C@H](CBr)NC(=O)OC(C)(C)C)cc1
ir: 3 10 12 4 1 3 2 2 1 7 8 6 7 3 6 11 11 6 3 5 3 10 5 12 8 26 93 41 19 8 4 2 7 8 5 7 21 18 2 1 2 5 3 2 3 3 2 1 2 3 9 6 7 8 82 20 5 4 2 4 2 6 3 2 4 4 2 3 7 9 4 1 2 4 2 2 2 3 3 2 2 2 1 1 2 1 5 12 8 8 3 2 2 4 2 8 13 5 7 8 4 4 11 5 6 4 8 4 4 7 9 5 7 20 13 5 14 12 21 12 18 11 5 5 7 3 5 8 25 8 17 13 4 2 1 2 3 2 1 2 2 3 4 24 59 7 3 8 42 100 13 4 9 7 3 3 2 1 1 2 1 1 14 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 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 4 5 3 4 3 3 2 3 4 3 6 6 7 23 53 22 12 69 8 7 5 3 3 3 2 2 2 5 2 1 2 1 1 1 2 2 2 2 2 3 7 17 41 12 5 2 2 2 0 1 1 1 0 0 1 1 0 1 1 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H | 69 68 m 2H | 55 55 d 1H J 71 | 51 51 m 1H | 41 40 dd 1H J 51 115 | 39 39 dd 1H J 31 117 | 38 38 dd 1H J 50 114 | 37 36 dd 1H J 31 117 | 19 18 ht 1H J 50 70 | 15 13 m 2H | 14 14 s 9H | 13 11 m 2H | 10 10 d 3H J 71 | 9 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(NC(=O)c2ccc3ccccc3c2O)c(OC(F)(F)F)c1
ir: 5 4 3 8 6 4 6 6 8 3 2 3 5 3 4 15 9 12 2 2 6 6 4 5 7 6 9 12 14 18 10 4 5 13 14 18 7 3 9 8 5 10 18 80 51 14 5 4 4 10 8 3 2 5 13 22 10 9 2 3 2 3 7 4 2 1 4 4 6 7 3 1 1 1 1 2 2 3 6 2 5 14 7 4 1 2 7 4 2 2 2 9 12 11 8 7 7 100 10 60 1 64 8 8 19 33 42 12 9 4 3 4 3 1 1 4 6 5 2 3 2 2 2 2 1 3 9 4 5 1 1 1 2 1 4 23 12 5 2 1 1 3 5 5 25 7 4 26 9 66 61 10 9 14 22 16 6 1 3 8 3 1 2 1 1 1 2 17 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 3 8 30 82 46 18 61 41 22 4 6 3 1 0 2 2 1 0 1 2 1 2 1 3 2 3 9 14 37 8 7 8 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 84 83 m 1H | 78 77 m 3H | 76 75 m 5H | 74 74 dd 1H J 22 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC)c(-c2cc(C(=O)NN3CCCCC3)c(C)n2CCc2cccc(F)c2)c1
ir: 2 3 3 4 4 2 2 2 2 2 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 1 2 2 1 5 3 6 12 10 3 2 5 1 2 2 3 1 1 2 2 3 7 26 88 29 5 0 3 6 14 7 4 4 4 2 2 5 3 2 5 2 7 8 9 8 3 3 5 4 4 6 3 3 2 2 1 2 1 1 5 6 2 3 7 6 2 5 5 2 2 3 3 4 4 7 3 2 2 4 2 2 2 2 2 2 3 5 3 8 5 3 3 4 2 4 4 3 1 2 3 3 3 6 2 2 2 5 4 2 1 4 5 2 2 3 9 2 2 2 15 20 9 5 13 9 25 10 100 7 16 10 2 2 2 2 6 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 3 1 2 4 2 1 2 4 5 20 16 2 19 72 20 9 8 4 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 3 6 5 12 15 25 19 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H | 75 74 d 1H J 27 | 72 71 td 1H J 50 78 | 70 68 m 6H | 61 61 s 1H | 43 43 t 2H J 56 | 39 39 s 2H | 39 38 s 2H | 29 28 m 6H | 24 24 s 2H | 18 17 dddd 5H J 36 45 61 71 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(C#N)c(Cl)c1
ir: 3 2 7 39 4 2 3 8 30 4 2 2 3 5 2 1 2 2 2 2 2 3 2 2 2 29 9 4 2 2 2 6 2 2 3 1 24 12 4 2 2 1 1 2 2 1 2 2 2 1 2 3 2 9 3 15 19 7 3 2 2 2 4 3 3 28 29 2 16 2 2 2 2 1 2 3 1 1 6 8 53 8 3 5 14 32 100 8 7 4 1 1 3 13 8 4 4 26 9 2 3 2 2 3 3 7 17 2 3 2 0 1 3 2 0 2 4 4 3 4 11 28 38 41 3 7 3 2 1 2 2 1 2 1 2 2 3 2 14 7 2 2 2 2 1 1 1 2 53 19 2 1 5 3 1 2 2 1 3 5 2 1 2 2 2 1 2 2 2 1 1 2 1 1 2 2 2 1 1 2 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 8 2 2 2 2 2 1 1 2 2 1 3 5 12 26 5 7 39 57 24 6 8 3 3 2 2 2 3 2 2 2 2 2 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 m 2H | 78 78 d 1H J 90 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)n2nc(-c3ccccc3Cl)c(I)c2n1
ir: 1 1 5 1 3 2 1 1 0 1 1 1 2 0 1 0 0 2 0 1 1 0 1 1 1 1 0 1 0 1 1 1 1 1 1 2 0 1 1 1 1 9 100 3 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 3 3 3 1 1 2 1 0 0 2 1 1 0 1 1 2 1 1 1 6 2 4 1 1 1 1 1 0 1 1 1 1 1 4 27 10 2 1 1 67 1 0 1 1 2 0 1 1 4 2 1 1 1 1 2 1 0 0 1 1 1 1 3 1 1 1 1 5 5 1 1 3 7 1 1 3 1 1 2 19 1 1 1 1 6 1 1 1 0 3 1 0 1 0 0 1 1 1 1 1 0 1 2 48 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 24 4 4 25 25 24 4 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 0 0 1 0 0 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 1 0 0; 1HNMR: 77 77 dd 1H J 13 87 | 75 75 m 2H | 74 73 td 1H J 13 76 | 70 70 q 1H J 10 | 27 27 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C(=O)c2nn(-c3cnn(CCOCc4ccccc4)c3)ccc2=O)c1
ir: 15 27 46 46 23 9 37 16 13 7 13 5 10 2 4 6 4 7 6 4 5 4 13 4 4 4 4 5 7 16 11 31 16 7 14 15 19 8 4 11 47 20 3 8 9 13 9 6 30 18 12 9 15 30 8 7 3 0 5 3 4 2 7 13 9 14 11 35 39 34 35 16 3 4 8 14 33 12 15 3 2 12 6 3 1 2 3 19 58 9 4 14 3 5 5 3 3 4 6 2 1 2 3 3 2 5 5 6 3 19 7 3 2 5 4 2 4 8 6 5 4 9 5 6 5 3 6 7 5 2 16 3 3 3 10 42 3 5 19 65 20 19 7 49 5 3 5 4 4 3 4 11 28 67 58 20 7 18 97 54 15 4 17 80 23 11 7 0 1 4 2 1 2 2 1 1 2 1 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 0 0 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 3 3 3 4 3 3 3 3 4 2 4 3 6 19 28 17 100 52 20 43 38 15 6 4 2 2 1 1 2 2 1 2 2 2 34 27 7 2 1 1 2 1 1 2 5 2 28 41 6 6 2 2 2 2 4 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 0 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 82 | 79 78 ddd 1H J 11 20 80 | 76 76 s 1H | 75 74 dd 1H J 59 102 | 74 74 s 1H | 74 73 m 6H | 70 69 d 1H J 84 | 69 69 ddd 1H J 12 21 79 | 45 45 d 2H J 9 | 43 43 s 2H | 41 41 td 2H J 8 36 | 39 38 t 2H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
ir: 6 3 4 3 4 4 1 2 4 6 2 3 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 9 4 7 30 20 28 21 6 3 3 9 3 1 2 1 1 0 1 1 2 5 1 1 1 1 1 0 2 2 2 0 1 1 1 10 1 1 1 1 1 3 3 4 3 3 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 3 2 1 2 3 4 2 5 2 2 1 2 2 3 9 3 3 6 6 5 10 7 8 7 3 5 7 6 10 6 9 6 11 16 7 7 9 10 10 12 15 18 6 1 1 1 4 2 3 5 21 100 35 20 20 60 13 22 10 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 2 2 2 1 4 3 3 3 2 2 5 4 11 10 13 47 4 3 1 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 0 1 0 1 2 1 4 14 34 1 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 51 d 1H J 81 | 44 43 dt 1H J 68 79 | 29 29 s 5H | 19 18 ddd 1H J 68 82 137 | 18 16 m 2H | 15 13 m 8H | 14 14 s 9H | 13 12 ddt 2H J 60 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
ir: 3 3 2 1 3 3 1 3 2 2 2 2 2 3 3 48 4 4 5 4 3 3 3 2 1 6 5 4 3 3 2 10 4 3 6 10 9 13 8 4 5 7 3 1 2 3 3 4 6 6 7 5 7 11 6 25 100 46 8 2 4 3 2 1 2 2 7 2 3 9 2 2 1 2 2 1 4 2 1 0 1 1 0 1 2 2 5 8 4 3 1 1 7 2 6 53 3 4 3 25 13 2 2 3 63 7 0 2 1 2 3 12 35 11 1 4 3 3 1 2 2 2 1 11 15 11 16 9 10 3 3 1 1 1 1 1 2 0 1 2 2 9 18 10 34 20 29 6 15 22 23 23 16 13 5 1 2 1 2 0 1 2 3 9 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 3 2 1 1 2 4 1 6 2 2 4 3 6 9 5 10 35 70 12 6 5 5 4 2 1 3 2 1 1 1 2 1 1 1 1 1 1 2 4 7 23 54 13 13 3 1 2 1 0 1 1 1 1 1 1 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 s 1H | 78 77 m 2H | 76 75 dq 2H J 14 74 | 73 72 dq 2H J 9 86 | 71 70 m 2H | 40 39 t 2H J 9 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2cc(F)c(F)cc2F)=NN1c1ccccc1
ir: 2 1 2 2 5 2 2 4 3 2 12 4 2 1 1 2 1 1 1 1 2 5 2 1 1 6 6 2 3 3 5 5 2 9 5 4 5 4 4 4 25 26 38 9 7 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 9 25 12 4 9 46 66 2 3 1 1 1 1 1 2 7 7 2 1 3 1 2 1 1 1 1 1 6 3 2 1 1 2 1 4 10 4 5 5 3 1 1 1 5 1 1 1 1 1 1 1 2 1 2 2 12 2 2 2 2 2 2 2 2 8 33 5 2 21 5 2 6 23 10 1 1 3 2 2 18 7 11 8 8 5 7 21 2 15 100 20 88 3 3 3 3 0 4 4 3 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 2 1 3 4 8 17 52 65 20 15 4 3 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 75 74 m 3H | 73 72 tt 1H J 15 77 | 72 71 td 1H J 43 121 | 38 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
ir: 3 3 5 3 4 2 2 1 1 2 2 5 6 5 2 2 12 2 1 1 2 4 4 3 5 2 1 1 1 1 1 2 1 4 2 2 3 2 3 6 3 3 2 4 3 2 2 1 4 9 25 9 25 20 19 36 15 8 13 12 3 3 4 30 2 0 1 2 22 16 1 1 1 2 1 1 1 1 1 1 1 1 1 2 5 7 6 6 7 1 1 1 2 2 6 7 5 7 6 3 2 10 2 1 1 1 1 1 2 3 2 2 3 3 8 3 6 6 8 10 12 12 26 6 6 10 5 6 2 1 1 1 1 1 1 1 1 1 2 1 2 4 6 16 30 7 7 62 26 7 6 6 7 6 2 1 1 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 2 2 2 1 2 4 3 1 3 5 5 12 15 16 11 100 14 15 4 7 4 2 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 4H | 71 71 m 4H | 51 50 t 1H J 8 | 37 37 s 3H | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)Cl)c2c1C[C@@H](N(C)C)CC2
ir: 4 13 18 11 3 8 14 8 27 55 15 6 8 17 13 15 13 14 22 21 24 26 20 17 19 14 14 9 8 28 9 7 6 6 8 16 13 10 6 1 2 6 4 1 3 10 11 4 9 11 6 0 16 31 29 44 10 6 13 26 28 9 5 7 36 66 17 22 18 21 15 13 10 8 3 2 7 14 4 1 4 8 39 35 15 19 14 68 35 11 4 3 6 26 27 12 31 10 14 9 21 15 9 15 11 9 4 5 13 5 3 7 7 6 3 6 12 6 3 14 10 6 4 6 14 16 8 9 9 3 2 8 12 7 9 18 28 12 11 7 10 5 3 8 10 10 4 10 10 3 1 4 5 21 31 7 6 0 3 17 20 4 4 5 3 0 3 4 3 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 2 0 2 5 2 0 2 4 2 1 3 4 2 1 3 4 1 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 3 3 1 2 5 3 2 3 4 4 4 4 7 10 8 10 7 8 1 7 9 5 20 17 17 38 100 37 10 6 2 5 5 2 0 4 5 2 1 4 4 2 0 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 78 78 d 1H J 99 | 70 69 d 1H J 101 | 39 38 s 2H | 31 29 m 4H | 28 27 dd 1H J 64 143 | 23 23 d 6H J 14 | 20 19 dtd 1H J 55 80 121 | 18 17 ddt 1H J 54 81 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)SC2=NCCN21
ir: 0 2 3 3 7 3 7 2 3 3 3 3 1 5 5 3 1 2 2 2 1 1 1 1 2 4 5 3 3 5 5 5 4 3 1 2 1 1 1 2 2 1 2 11 29 43 23 3 6 6 6 1 2 11 17 2 5 4 1 6 1 2 2 1 1 2 7 24 27 11 5 3 2 3 2 0 2 2 2 11 4 3 0 0 2 2 0 1 2 2 0 2 3 5 21 3 2 2 2 2 5 3 1 1 3 3 1 2 4 2 1 2 2 5 3 3 6 7 6 3 5 3 4 4 3 1 1 1 1 1 1 2 3 3 1 24 4 1 1 2 2 1 6 2 28 5 4 33 5 16 12 65 43 18 100 4 4 2 2 2 18 10 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 2 1 2 4 1 1 2 4 4 10 16 13 9 44 16 7 3 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 4 4 4 11 22 30 47 15 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 92 s 1H | 79 79 d 1H J 22 | 74 74 d 1H J 70 | 72 71 dd 1H J 22 71 | 45 45 m 2H | 39 39 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nc(S)n[nH]1
ir: 5 7 8 10 14 12 19 11 5 8 11 5 3 7 9 6 4 10 12 5 3 6 6 4 2 5 6 2 2 6 6 2 2 6 5 1 2 7 5 1 3 7 7 1 4 7 7 5 12 10 15 4 10 15 9 0 6 10 8 3 6 11 7 4 10 14 68 31 13 12 16 20 12 17 12 6 26 88 61 100 25 41 8 5 10 11 9 9 23 37 22 16 15 42 19 23 20 18 5 11 10 5 4 5 13 9 52 40 10 25 2 6 10 7 2 13 47 27 12 36 37 21 36 14 27 16 14 15 8 14 42 35 20 27 35 32 16 9 8 7 8 2 4 6 6 2 4 7 6 2 2 6 5 2 2 7 5 2 3 7 5 1 3 7 4 1 4 7 4 1 3 7 4 0 4 6 4 1 4 6 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 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 1 4 6 4 1 4 6 4 1 4 6 4 2 5 6 4 3 5 7 3 1 5 6 3 2 5 6 4 3 6 6 3 3 6 6 2 3 6 6 3 4 6 5 3 4 9 12 6 9 9 14 13 14 20 14 13 12 20 17 41 39 36 17 12 13 10 8 3 9 7 45 37 81 89 57 59 52 38 23 10 7 7 2 3 6 6 2 3 5 5 2 2 5 5 2 2 5 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6; 1HNMR: 79 79 s 1H | 45 45 s 2H | 35 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CBr)cc1Cl
ir: 3 3 1 3 3 2 6 7 12 2 0 1 2 2 4 3 13 4 1 1 1 1 1 2 3 1 0 1 1 0 1 1 8 1 3 3 4 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 8 7 7 1 1 1 0 1 1 2 3 18 4 11 5 1 1 1 2 2 1 2 4 14 5 2 1 0 1 1 1 1 1 2 1 4 3 1 1 1 1 2 4 1 1 1 1 1 1 1 6 22 24 3 2 2 2 1 0 3 4 2 1 5 5 12 14 5 4 5 4 4 11 3 8 4 1 2 1 3 23 10 3 2 1 1 1 1 1 0 0 1 1 5 11 3 7 6 2 25 2 1 1 1 1 1 1 6 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 4 2 1 1 2 1 2 2 4 7 0 23 100 11 11 2 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 83 | 76 76 dt 1H J 9 20 | 73 73 ddt 1H J 9 20 84 | 45 45 t 2H J 9 | 43 42 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(=CC1(c2ccccc2)c2ccccc2-c2ccccc21)C1OCCO1
ir: 0 0 2 0 0 1 2 1 0 0 1 2 1 2 5 3 0 1 1 3 1 0 0 1 1 0 1 0 0 1 5 1 1 8 5 2 1 4 9 9 5 38 12 34 13 4 1 2 1 1 0 1 0 0 1 1 2 2 3 8 2 1 1 1 1 1 1 1 2 2 6 5 10 16 9 27 23 10 16 3 7 2 1 8 0 1 1 2 1 1 1 0 0 0 1 2 1 0 1 1 0 0 0 0 0 0 1 1 1 1 1 0 0 3 4 2 1 1 3 1 0 0 0 1 1 1 1 1 2 2 4 6 5 1 9 20 11 2 3 0 16 4 5 6 3 2 1 2 3 5 13 1 1 6 4 0 0 1 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 4 4 9 3 13 31 100 47 6 3 2 1 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 2H J 12 67 | 75 75 m 2H | 74 74 m 1H | 74 73 tdd 4H J 10 41 72 | 73 72 ddd 2H J 13 66 77 | 70 70 dd 2H J 14 74 | 63 63 dd 1H J 18 168 | 60 59 dd 1H J 42 168 | 54 53 dd 1H J 18 42 | 40 39 m 2H | 39 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=CC(=O)c1ccccc1Cc1ccccc1)SC
ir: 0 1 1 1 0 2 1 4 1 1 1 1 0 1 1 2 1 1 1 1 0 1 1 2 2 3 1 2 2 6 13 4 6 5 6 4 3 3 9 85 30 33 6 19 5 3 6 0 1 2 1 0 0 4 1 0 1 1 5 2 2 2 1 0 1 1 1 5 1 4 1 1 2 4 6 11 5 8 7 2 2 1 2 2 3 5 2 1 5 12 5 2 2 1 0 1 2 2 2 2 1 1 0 1 2 1 16 2 1 2 1 4 5 10 8 6 6 6 5 2 3 2 2 1 2 1 0 1 2 1 0 1 2 1 4 26 70 5 5 5 11 35 6 100 14 5 6 2 3 4 1 7 3 15 3 4 1 4 2 3 6 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 3 2 4 12 15 34 12 96 39 16 4 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 1; 1HNMR: 79 79 m 1H | 75 74 m 1H | 74 73 m 2H | 73 72 m 2H | 72 72 m 3H | 69 69 s 1H | 42 42 q 2H J 8 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
ir: 11 9 18 19 16 6 1 3 5 4 2 4 2 2 1 3 2 1 2 3 2 4 5 4 13 12 15 18 16 15 18 22 18 8 13 5 25 7 10 1 14 25 6 3 12 29 13 12 5 21 1 4 3 4 1 3 2 3 5 3 6 6 3 1 1 1 2 3 4 19 2 2 2 6 3 0 3 1 5 4 3 15 8 1 1 1 1 1 3 9 5 4 2 3 2 4 7 8 15 12 3 3 5 3 6 3 3 5 5 4 5 4 3 3 5 10 11 7 21 6 4 25 10 11 8 6 5 12 10 3 2 9 5 2 4 25 7 1 2 2 8 11 70 43 100 45 13 6 6 27 16 4 4 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 3 2 2 2 3 3 3 4 4 13 7 18 28 20 21 73 12 4 3 0 3 1 1 1 2 3 2 2 1 1 0 0 1 1 1 0 2 8 8 22 41 33 5 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 73 m 5H | 57 57 d 1H J 81 | 49 49 ddd 1H J 8 36 59 | 46 45 m 1H | 31 30 dd 1H J 9 117 | 30 29 ddd 2H J 46 72 117 | 29 28 m 3H | 21 20 dp 1H J 49 59 | 19 18 ddt 2H J 48 71 141 | 17 16 ddt 2H J 48 73 143 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N2CCN(C=O)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
ir: 6 5 2 3 5 4 2 3 4 3 4 9 11 3 1 5 5 2 1 8 4 2 2 8 26 26 7 5 5 4 1 3 3 2 2 4 6 3 6 6 4 3 3 6 4 4 7 9 13 4 3 6 3 1 3 4 2 0 2 5 2 1 3 5 3 2 11 7 5 2 11 10 2 1 4 5 2 3 55 3 2 2 3 3 3 4 15 6 6 10 5 5 2 2 5 4 7 4 5 4 2 9 7 8 4 5 11 5 9 4 4 3 1 5 5 2 1 5 6 3 1 3 4 3 1 4 4 2 2 5 7 6 5 7 5 3 7 4 3 1 2 3 3 3 15 4 3 5 11 16 6 3 3 4 5 2 2 14 12 3 9 9 17 39 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 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 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 4 2 1 2 3 3 1 2 4 2 2 4 5 7 4 4 11 7 9 10 10 2 1 3 3 4 100 10 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 84 d 1H J 18 | 80 80 d 1H J 121 | 79 78 dt 1H J 8 18 | 41 40 pd 1H J 17 63 | 40 40 m 1H | 40 39 dd 1H J 45 102 | 38 36 m 5H | 36 36 dddd 1H J 9 38 59 112 | 22 22 s 2H | 13 13 d 3H J 70 | 13 12 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(NC(C)=O)ccc21
ir: 9 3 6 4 25 3 4 2 9 13 12 5 8 6 5 8 20 11 6 7 57 15 19 3 4 6 5 8 5 17 32 22 30 29 34 16 7 11 4 1 2 5 6 12 18 12 40 3 4 4 17 30 9 2 54 4 14 6 6 6 3 6 4 7 13 6 14 23 46 57 26 5 7 14 3 2 3 4 4 1 4 11 3 3 7 14 3 4 4 4 3 2 9 9 6 11 4 4 3 4 10 9 3 3 8 10 4 16 5 3 1 3 8 4 1 10 6 7 3 4 12 11 16 8 9 7 6 11 9 5 5 18 100 13 44 11 6 3 6 7 16 24 11 37 30 45 69 21 48 19 5 3 13 18 13 11 6 1 1 3 3 2 2 4 33 2 2 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 0 2 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 1 3 2 0 1 3 2 0 2 3 2 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 5 7 2 3 5 6 4 2 5 3 4 4 8 5 9 13 26 12 43 58 38 18 37 9 8 8 4 4 5 2 1 3 3 2 1 3 4 1 7 11 25 34 30 35 12 8 4 4 3 1 1 3 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 3; 1HNMR: 98 98 s 1H | 80 79 dd 1H J 9 17 | 76 75 m 2H | 74 74 m 1H | 73 72 m 3H | 72 71 dt 1H J 9 40 | 62 62 d 2H J 7 | 41 41 q 2H J 58 | 22 21 s 2H | 14 13 t 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2nc(C)c(C(O)C(=O)OCC)c(Cl)n2n1
ir: 2 3 3 5 8 4 5 2 7 5 1 4 3 3 3 3 1 1 1 1 1 1 1 1 4 1 2 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 0 1 1 1 1 4 12 12 19 3 3 1 1 1 1 1 1 1 0 1 2 2 6 5 14 6 9 7 11 4 5 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 2 2 2 1 2 2 6 2 1 2 1 1 5 10 1 4 4 1 1 1 11 1 1 1 1 1 1 1 6 1 1 1 3 4 10 3 1 1 1 0 1 1 1 0 10 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 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 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 4 5 2 1 0 2 3 10 2 3 5 68 100 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 77 76 s 1H | 57 56 d 1H J 53 | 47 46 d 1H J 53 | 44 44 q 2H J 64 | 42 41 qd 2H J 37 63 | 25 25 s 2H | 14 13 t 3H J 64 | 13 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cncc(CNS(=O)(=O)CC(F)(F)F)c2)cc2ccc(Cl)cc21
ir: 2 2 2 1 1 3 1 6 3 2 2 4 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 3 4 2 9 11 2 2 2 1 1 2 3 4 6 7 9 10 5 4 3 2 12 7 0 6 2 2 7 4 6 19 13 7 1 14 5 11 4 100 2 11 7 3 1 1 3 5 2 2 10 2 1 3 5 5 12 11 4 1 2 1 1 4 8 3 1 3 12 21 4 3 9 1 14 74 16 26 15 4 4 5 4 1 1 2 2 2 6 6 3 6 16 20 2 1 3 2 4 3 3 2 1 1 1 1 1 1 1 1 1 5 4 1 1 1 1 1 1 1 8 3 0 11 2 2 3 5 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 3 1 1 1 0 1 1 1 1 11 6 6 6 13 12 8 4 2 1 1 1 1 1 1 0 1 1 1 1 1 1 2 6 12 8 4 2 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 tt 1H J 9 17 | 84 83 t 1H J 17 | 79 78 tt 1H J 9 17 | 77 77 dd 1H J 21 77 | 74 73 dd 1H J 22 78 | 72 72 d 1H J 23 | 65 64 d 1H J 24 | 63 62 t 1H J 75 | 44 44 dt 2H J 9 75 | 42 41 q 2H J 130 | 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)c1c(F)cc(NS(=O)(=O)c2ccc(-n3ccnn3)cn2)cc1F
ir: 3 2 4 2 5 7 8 3 2 2 5 4 6 5 4 3 2 11 7 4 14 43 30 8 14 4 4 3 4 5 4 3 5 4 4 6 9 7 3 6 5 8 5 5 3 3 2 2 3 3 8 7 5 5 17 7 3 1 2 2 2 2 4 3 3 14 2 15 17 16 3 2 2 5 3 8 2 5 8 40 3 5 5 2 55 5 18 4 2 4 9 3 2 3 3 3 0 19 2 2 2 2 2 2 2 3 3 11 10 4 1 34 2 3 2 2 2 2 1 2 4 3 2 2 2 2 2 3 5 13 9 4 4 9 10 3 4 2 2 2 2 2 2 3 7 2 2 2 5 3 4 3 4 2 4 6 8 2 2 2 2 4 12 2 2 2 2 1 1 2 1 1 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 2 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 5 8 11 21 6 8 9 6 4 2 1 42 100 10 4 2 0 2 2 2 2 2 2 2 2 2 3 5 7 94 14 3 2 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 1 1 1 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 92 92 d 1H J 19 | 86 85 d 1H J 22 | 83 83 dd 1H J 19 89 | 82 82 d 1H J 88 | 81 80 d 1H J 22 | 67 67 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(C)=O)C1C=CCCC1
ir: 3 43 32 18 5 12 12 7 1 10 20 21 22 14 13 4 3 9 19 25 5 14 20 6 2 10 10 4 4 11 10 3 7 12 36 18 5 22 13 1 4 13 9 1 5 12 9 1 6 16 7 1 10 14 10 1 13 17 13 2 12 16 7 1 11 16 8 6 12 19 12 20 12 15 12 6 10 15 11 2 9 11 4 4 10 10 3 3 12 11 3 5 11 12 5 17 20 13 6 10 14 11 5 12 26 16 20 19 21 13 9 20 54 42 74 39 21 22 6 28 35 18 14 29 30 14 42 26 33 12 14 16 23 15 8 12 14 7 24 38 50 36 42 28 100 19 12 13 10 3 4 10 9 2 5 14 13 4 6 11 7 1 5 11 7 0 6 12 6 0 6 12 6 0 6 12 5 1 7 11 5 1 7 10 5 2 8 10 4 2 8 10 4 2 8 9 3 3 9 9 3 3 9 8 3 4 10 8 2 4 10 8 2 4 10 7 1 5 11 7 1 5 11 6 1 6 11 6 0 6 11 6 1 7 11 5 1 7 11 5 2 7 10 5 2 8 10 4 2 8 9 4 3 8 9 4 3 9 9 3 4 9 8 3 5 12 9 7 6 20 12 7 11 17 18 22 16 16 11 11 17 19 20 71 66 23 33 23 14 17 8 5 8 11 7 3 7 11 6 2 8 10 5 3 8 9 4 3 8 9 4 3 8 8 4 4 9 8 3 4 9 8 3 4 9 7 3 5 9 7 2 5 10 7 2 5 10 6 2 6 10 6 1 6 10 6 2 6 10 5 2 7 10 5 2 7 9 5 3 7 9 4 3 8 9 4 3 8 8 4 4 8 8 4 4 8 8 3 4 9 7 3 5 9 7 3 5 9 7 3 5 9 6 2 6 10 6 2 6 10; 1HNMR: 58 57 dddt 1H J 10 17 77 87 | 57 56 dtdt 1H J 9 18 44 86 | 42 41 m 2H | 33 32 dp 1H J 15 106 | 30 29 m 1H | 22 22 d 3H J 16 | 22 21 m 2H | 19 18 ddddd 1H J 9 60 70 92 126 | 17 16 m 1H | 16 15 m 2H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1F
ir: 2 5 5 4 7 2 8 18 3 3 7 3 9 6 9 11 5 2 2 1 1 2 2 7 12 3 2 1 1 3 3 2 8 7 3 3 5 7 7 4 4 11 32 31 3 5 4 0 5 7 3 1 3 7 45 100 13 7 4 3 3 4 9 2 2 4 16 7 12 22 4 5 7 7 8 2 3 4 3 8 46 6 4 3 6 18 75 9 5 4 38 4 6 6 2 1 5 10 5 9 26 6 0 2 4 5 18 11 4 3 2 9 7 8 2 7 7 7 2 4 6 15 26 13 10 4 3 4 5 6 3 6 4 4 2 4 6 31 2 6 10 9 4 13 75 44 15 35 8 4 4 40 2 2 2 3 2 4 2 2 2 1 2 2 2 0 1 2 1 0 1 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 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 1 2 2 1 1 3 2 1 2 3 4 3 2 9 5 2 4 11 4 3 13 21 25 92 35 12 4 6 10 8 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 dd 1H J 13 74 | 75 75 m 2H | 74 73 m 3H | 74 73 t 1H J 27 | 73 73 ddd 1H J 13 68 81 | 51 51 t 0H J 38 | 50 50 t 0H J 38 | 39 38 dd 1H J 8 138 | 38 37 dd 1H J 8 138 | 33 32 ddd 1H J 38 130 170 | 31 30 m 3H | 28 27 m 1H | 27 26 ddt 1H J 32 57 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(-c2ccc([C@H](N[C@@H](CC(C)(C)F)C(=O)NC3(C#N)CC3)C(F)(F)F)cc2)cc1
ir: 3 5 1 1 5 5 3 10 1 2 1 2 3 8 3 1 2 1 8 2 4 3 3 4 5 5 3 4 8 43 4 6 4 12 11 5 6 27 22 7 29 28 16 2 2 6 5 4 24 26 11 18 35 100 20 13 5 25 9 52 21 9 4 3 2 1 2 2 9 11 1 2 3 3 12 30 9 2 7 2 2 0 1 1 23 4 5 2 7 5 14 6 3 1 2 3 0 2 4 8 21 9 32 4 3 1 1 6 19 29 85 23 12 13 9 6 3 10 9 11 12 13 10 3 4 7 4 4 11 6 8 6 81 25 24 9 6 4 4 4 4 3 4 22 72 52 32 50 11 6 5 5 14 6 2 2 1 2 6 10 4 0 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 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 1 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 1 1 1 0 1 1 1 1 2 3 1 2 2 3 3 1 4 3 6 10 9 22 29 6 38 39 52 18 7 10 14 4 3 1 2 1 1 1 2 1 3 5 9 15 36 75 27 98 33 24 38 20 5 2 1 1 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 78 77 m 2H | 76 76 m 2H | 75 75 m 2H | 74 73 m 2H | 71 71 s 1H | 49 48 m 1H | 45 44 tq 1H J 24 100 | 39 39 dtd 1H J 27 48 97 | 25 25 s 3H | 23 22 ddd 1H J 49 126 159 | 21 20 m 3H | 18 17 m 2H | 17 17 s 1H | 16 16 s 1H | 16 15 s 1H | 15 15 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1COc1cccc(Br)c1
ir: 8 12 1 6 11 7 8 8 6 2 3 4 6 15 6 5 3 2 1 2 2 1 2 3 4 3 4 2 4 6 6 7 3 2 2 5 3 2 2 3 7 13 38 29 8 8 12 16 7 5 5 3 2 2 2 3 2 1 2 3 2 1 2 2 4 6 5 7 12 10 10 6 3 4 7 9 5 4 3 4 2 2 3 3 3 6 5 6 4 5 6 4 2 2 2 2 1 1 3 3 3 4 3 2 1 1 3 2 0 1 8 25 21 8 13 8 8 4 4 7 3 3 3 3 6 5 3 2 1 2 2 1 1 2 4 5 6 7 5 21 20 7 3 8 33 32 16 10 4 3 4 8 18 17 18 6 2 3 3 3 14 4 3 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 3 2 1 3 5 10 11 43 100 31 15 6 6 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 1H J 18 76 | 75 74 m 2H | 74 74 m 2H | 73 72 t 1H J 80 | 71 71 t 1H J 22 | 70 69 ddd 1H J 12 22 79 | 53 53 d 2H J 10 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1O
ir: 2 2 2 3 2 2 1 4 7 7 3 3 3 4 13 19 16 37 18 5 6 6 1 3 2 2 2 2 3 1 0 1 1 1 1 1 1 1 1 2 2 0 1 2 1 1 1 2 2 3 6 3 5 8 5 2 2 1 2 2 1 3 1 2 2 3 2 2 3 4 5 3 1 3 2 2 2 2 1 2 3 11 6 14 17 10 8 11 4 3 3 3 8 4 3 1 2 3 3 2 2 1 1 2 3 2 5 3 3 4 3 2 3 3 4 7 14 10 5 4 2 3 5 13 9 4 3 1 2 1 1 2 1 3 4 2 2 1 1 1 1 1 1 2 1 1 1 1 0 1 7 2 3 3 10 14 3 3 2 0 1 2 5 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 4 6 7 3 2 2 2 2 2 6 12 3 7 7 7 8 2 3 3 5 6 100 8 3 2 2 1 1 2 2 1 1 2 2 2 2 8 38 9 3 5 5 3 3 2 1 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 72 71 dd 1H J 7 81 | 71 71 s 1H | 71 70 m 0H | 69 68 p 1H J 9 | 48 47 ddd 1H J 7 48 75 | 45 44 d 1H J 115 | 42 42 d 1H J 113 | 31 31 d 1H J 48 | 31 30 dddd 1H J 31 50 60 68 | 29 28 dddd 1H J 9 61 88 148 | 28 27 m 1H | 22 21 m 1H | 21 19 m 5H | 19 18 m 2H | 18 17 m 1H | 17 16 m 1H | 15 12 m 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCCCCCC(=O)NCCCc2cccnc2)ccc(C(C)=O)c1O
ir: 2 3 5 13 5 2 0 2 2 2 2 1 2 3 1 3 4 8 2 3 7 4 9 7 5 4 16 24 24 14 20 22 37 43 83 20 35 30 8 13 8 8 38 56 11 12 9 5 6 5 1 1 3 6 8 16 9 4 3 7 4 7 3 3 6 2 2 2 3 18 12 1 7 2 2 1 3 5 8 10 17 3 2 2 2 2 0 2 3 5 5 23 36 18 13 19 2 5 10 5 2 2 4 3 5 14 25 19 5 5 5 11 29 19 11 5 13 6 11 8 4 6 17 13 10 24 10 6 4 3 4 3 2 2 6 4 3 1 7 11 8 5 40 11 17 66 25 29 9 5 2 7 7 18 25 29 3 2 6 4 3 12 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 7 6 8 6 2 4 5 3 3 7 8 33 2 5 20 41 19 81 100 32 11 3 1 2 2 1 1 2 1 1 1 1 2 2 3 7 14 23 24 16 8 5 6 2 1 2 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 m 2H | 77 76 d 1H J 82 | 75 74 dtt 1H J 9 19 77 | 72 72 dd 1H J 43 77 | 66 66 d 1H J 84 | 60 60 t 1H J 49 | 38 38 t 2H J 61 | 33 32 td 2H J 48 57 | 29 28 t 2H J 64 | 28 27 tt 2H J 9 86 | 26 26 s 2H | 22 21 t 2H J 84 | 20 19 tt 2H J 57 88 | 18 17 tt 2H J 61 73 | 17 15 m 4H | 15 14 pd 2H J 13 74 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(OC)c1C1CC(C)(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
ir: 3 5 2 2 6 4 1 6 4 3 4 3 4 6 5 6 15 4 3 4 10 6 3 5 3 10 5 15 7 5 2 3 8 11 4 2 3 2 2 4 4 4 2 3 3 3 3 100 14 8 6 5 12 12 4 17 41 79 15 7 5 1 4 7 3 2 3 3 1 15 3 2 4 4 4 3 2 12 2 2 4 5 5 3 2 2 4 6 7 4 4 2 3 4 4 59 28 4 10 12 14 24 9 3 0 2 4 3 3 7 10 7 3 3 4 2 1 3 6 9 16 13 16 10 7 14 8 5 4 3 4 5 4 5 8 16 9 6 4 7 13 13 5 2 2 6 7 13 33 84 31 3 9 2 3 3 3 17 36 3 2 3 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 2 2 6 7 5 3 3 4 6 8 14 23 9 18 73 56 12 4 8 5 5 4 2 3 2 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 dt 2H J 9 84 | 72 71 m 3H | 67 66 d 2H J 84 | 50 48 m 2H | 47 46 dt 1H J 8 125 | 39 38 s 5H | 26 25 d 2H J 18 | 22 21 dd 1H J 63 124 | 19 18 dd 1H J 63 124 | 11 11 s 3H | 10 10 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1COC(=O)N1
ir: 8 15 20 15 8 15 22 17 20 17 18 23 51 21 34 99 0 25 25 13 16 25 21 15 9 18 19 13 12 18 18 10 11 18 17 9 11 19 16 9 12 19 16 9 12 21 17 11 14 22 16 9 14 21 14 23 20 19 15 7 14 21 15 14 16 22 15 12 20 22 15 10 16 21 14 10 16 18 12 10 17 18 11 10 17 17 11 11 18 17 10 11 18 16 10 12 18 16 9 12 18 16 9 18 31 23 17 17 22 16 8 14 21 15 10 18 58 37 19 19 25 20 14 19 20 14 10 27 24 15 14 18 19 13 11 20 21 12 11 17 17 11 11 17 17 11 12 18 16 11 14 24 20 48 86 26 55 9 14 20 15 9 13 19 14 9 13 19 14 8 14 19 14 8 14 19 13 9 14 18 13 9 15 18 12 10 15 18 12 10 16 17 12 10 16 17 11 11 16 16 11 11 17 16 11 12 17 16 10 12 17 15 10 12 18 15 9 13 18 15 9 13 18 14 9 13 19 14 9 14 19 13 9 14 18 13 9 14 18 13 10 15 18 12 10 15 17 12 10 16 17 12 12 16 17 12 12 16 16 12 12 17 16 11 12 17 16 11 13 20 17 11 13 18 15 10 14 18 16 14 16 19 16 11 17 20 14 10 15 18 14 10 14 19 14 11 15 18 13 11 15 18 13 12 15 19 16 13 17 22 81 100 56 27 15 21 24 18 12 13 18 17 11 13 17 15 11 14 17 15 10 13 17 15 10 13 18 14 10 13 18 14 9 14 18 14 10 14 18 13 10 14 17 13 10 15 17 13 11 15 16 12 11 15 16 12 11 16 16 12 12 16 16 12 12 16 15 11 12 16 15 11 12 16 15 11 13 17 14 10 13 17 14 10 13 17 14 10 14 17; 1HNMR: 58 58 d 1H J 77 | 43 43 dd 1H J 33 112 | 41 40 dd 1H J 31 112 | 37 36 dddp 1H J 16 33 62 78 | 19 18 dq 1H J 63 126 | 10 9 ddd 6H J 15 63 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=O)cc(-c2cccs2)c1OC
ir: 2 1 1 1 1 1 1 1 2 2 1 1 4 1 1 1 1 1 3 4 3 4 3 1 2 3 2 1 3 2 1 2 1 1 1 1 1 5 7 100 27 5 6 3 2 2 1 2 1 0 1 2 1 1 1 2 1 2 2 2 28 0 2 8 1 0 3 4 5 8 9 2 1 2 3 2 1 7 3 2 1 1 2 2 6 7 2 1 1 1 2 1 5 3 3 8 1 1 2 1 2 8 2 6 43 1 1 1 0 3 4 2 0 1 2 2 1 1 2 2 1 1 2 2 1 9 7 2 1 1 3 14 1 1 1 1 0 3 12 4 1 1 1 1 1 3 3 4 1 14 3 9 4 1 1 0 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 9 2 1 1 1 1 1 1 1 1 1 1 2 4 4 2 8 34 12 46 37 17 2 1 2 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 99 s 1H | 81 80 d 1H J 23 | 74 74 d 1H J 22 | 74 73 m 2H | 71 71 dd 1H J 50 61 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2c(F)cccc2F)CC1(C)C)C(=O)NCC(C)(C)C
ir: 1 2 2 3 4 6 4 3 5 4 4 7 4 4 6 4 5 9 8 9 4 14 8 15 8 13 12 8 8 3 6 2 2 3 7 12 17 4 4 2 3 1 2 2 7 11 53 14 1 1 5 5 5 1 3 3 3 2 6 7 1 6 5 5 6 7 12 22 6 2 5 7 15 5 29 9 8 9 7 8 7 5 9 32 4 8 10 5 5 4 12 13 16 5 4 6 5 2 2 3 3 2 4 2 5 2 5 4 5 4 7 7 7 3 1 2 3 4 4 7 7 12 6 6 3 7 6 7 8 9 11 34 7 9 4 2 4 2 5 12 7 7 2 3 7 37 13 14 11 8 21 11 3 1 1 2 4 4 1 1 1 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 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 2 1 2 3 1 2 4 3 1 3 3 3 3 16 8 4 16 5 3 3 2 4 61 100 27 7 5 3 2 2 3 3 5 11 8 11 8 5 19 69 8 6 7 10 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 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 73 72 tt 1H J 52 79 | 71 70 m 2H | 63 63 t 1H J 49 | 42 41 d 1H J 112 | 41 40 d 1H J 112 | 38 37 tt 1H J 50 71 | 36 35 d 1H J 130 | 35 34 m 2H | 32 31 m 4H | 30 29 dd 1H J 39 129 | 28 27 tq 1H J 68 82 | 27 26 dd 1H J 39 129 | 26 26 d 2H J 60 | 19 18 ddd 1H J 71 82 153 | 16 15 ddd 1H J 71 82 150 | 13 12 d 5H J 132 | 11 11 d 3H J 66 | 10 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cccc2cnccc12)N1CCCC(O)C1
ir: 6 7 7 6 9 7 6 5 8 12 4 3 18 38 4 6 13 3 15 27 8 9 7 6 4 7 5 17 4 1 5 2 2 1 1 6 3 3 1 3 2 0 58 0 25 4 28 9 2 5 4 4 5 3 2 3 2 1 2 2 2 24 6 3 17 19 3 4 6 4 2 3 37 38 18 10 8 4 4 71 19 3 2 2 10 40 10 59 53 10 9 20 48 55 19 8 4 5 5 5 3 1 5 22 7 3 5 4 16 3 3 7 32 2 5 4 0 1 2 1 0 2 3 4 2 2 1 2 2 3 2 4 3 3 2 2 3 4 12 9 4 2 2 1 1 1 2 4 13 8 3 1 2 2 2 2 3 10 10 1 1 2 1 0 1 2 7 3 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 1 2 1 2 6 7 8 11 14 42 22 19 12 100 21 8 4 3 2 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 93 92 t 1H J 16 | 87 87 dd 1H J 13 46 | 81 80 m 2H | 80 80 dd 1H J 13 86 | 77 76 t 1H J 85 | 40 39 m 1H | 34 34 dd 1H J 47 125 | 33 32 m 1H | 32 31 m 2H | 29 29 d 1H J 51 | 19 17 m 3H | 16 15 dddd 1H J 56 68 90 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)c1cc2c(OC)nc(C)cn2n1
ir: 25 26 21 21 22 21 22 25 27 25 23 28 47 29 49 42 21 22 21 20 19 44 35 34 26 27 23 22 24 26 25 23 21 19 19 20 20 19 19 21 20 19 19 21 21 19 20 21 20 19 20 21 23 20 23 25 22 25 26 26 26 23 33 26 23 21 27 23 23 26 25 22 23 24 37 47 31 28 24 20 20 25 31 21 19 19 20 20 19 19 20 20 20 19 21 21 22 23 23 22 20 21 20 22 29 20 21 20 19 22 23 24 25 22 23 21 21 25 25 33 46 42 37 26 22 44 100 37 35 38 21 50 59 23 21 20 20 20 21 21 25 31 24 35 59 25 20 0 38 27 26 22 20 21 22 83 47 21 19 19 20 20 43 31 20 21 20 18 19 21 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 19 20 20 19 18 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 19 19 20 19 19 19 20 19 19 20 19 19 19 20 20 19 19 20 20 23 24 21 20 21 21 25 22 21 20 23 22 21 28 29 43 33 25 23 23 38 48 51 26 19 20 21 20 19 20 20 19 18 19 20 19 18 19 20 19 19 20 20 19 19 19 19 19 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18 19 20 19 18; 1HNMR: 82 82 q 1H J 16 | 71 71 s 1H | 44 44 s 2H | 42 41 q 2H J 66 | 41 40 s 3H | 26 26 d 3H J 16 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)C[C@H]1O
ir: 3 4 4 4 1 5 7 5 7 4 5 5 5 5 7 5 6 3 10 5 6 6 7 5 7 15 6 9 7 8 5 5 5 4 8 2 4 4 4 3 3 4 73 3 43 6 5 6 3 5 2 2 2 3 4 2 2 4 5 9 7 7 7 9 3 6 5 2 4 4 7 5 5 8 6 7 10 9 9 9 4 3 4 11 17 9 7 16 31 16 14 8 10 4 3 5 2 3 3 5 6 30 4 17 9 55 11 19 14 4 5 6 5 6 5 8 7 4 3 2 4 4 7 4 2 4 3 3 2 2 2 3 3 2 1 2 2 2 1 2 2 2 2 4 9 2 2 2 4 7 11 7 4 2 2 3 2 0 15 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 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 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 4 4 12 3 4 3 3 9 5 21 15 21 33 13 3 2 4 4 4 2 3 6 7 57 5 3 3 4 3 4 8 53 6 5 2 4 3 16 100 16 4 3 3 2 3 2 2 2 2 2 2 3 3 3 2 2 3 2 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 81 81 s 1H | 77 77 d 1H J 7 | 66 66 s 2H | 59 58 m 1H | 46 45 m 2H | 43 42 dddd 1H J 9 17 42 74 | 39 38 ddd 1H J 32 58 119 | 36 35 ddd 1H J 33 57 118 | 24 23 dt 1H J 49 134 | 22 21 t 1H J 58 | 21 20 dddd 1H J 18 33 67 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCc1ccc(-c2ccc(N3C[C@@H](C)Oc4ncnc(N)c4C3=O)cc2)c(Cl)c1
ir: 3 3 3 4 6 6 7 7 13 6 4 5 5 7 5 4 7 7 4 6 5 6 6 9 8 4 5 4 5 7 10 9 7 8 5 5 7 8 4 6 4 5 7 7 6 47 71 25 17 5 7 5 4 4 9 10 9 11 3 6 5 4 4 3 3 4 4 4 4 4 5 6 4 7 6 12 13 6 9 5 4 3 5 4 3 4 4 5 4 4 3 6 4 3 3 3 6 5 26 24 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 7 6 3 3 3 4 3 4 3 4 6 7 5 3 3 4 3 3 3 3 7 4 4 15 16 5 4 4 9 16 15 11 6 23 8 100 14 13 20 23 10 0 6 5 3 1 2 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 7 5 12 22 9 5 4 3 3 3 3 3 2 2 2 3 3 3 3 3 6 11 7 4 3 3 3 3 2 3 3 4 4 54 27 4 3 4 3 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; 1HNMR: 82 82 s 1H | 76 75 m 3H | 75 75 m 4H | 74 73 dt 1H J 8 19 | 73 72 ddt 1H J 9 20 80 | 51 50 m 1H | 44 44 dd 1H J 48 125 | 42 41 dd 1H J 53 125 | 39 39 t 2H J 9 | 21 21 s 2H | 15 15 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(Sc2cccnc2N)cc1
ir: 0 1 1 0 0 0 0 0 0 1 0 1 0 1 1 1 4 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 4 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 2 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 2 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 5 2 2 2 4 2 2 1 1 4 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 7 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 10 1 0 0 0 0 0 0 0 0 2 6 100 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 22 40 | 75 74 dd 1H J 22 68 | 73 73 m 2H | 72 72 m 3H | 64 64 s 2H | 29 28 m 1H | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C=NN(C)S2(=O)=O
ir: 11 13 4 18 23 13 0 8 13 16 24 20 13 27 10 9 9 5 10 17 6 4 2 4 4 2 2 5 4 2 14 13 6 3 3 5 17 3 3 6 4 2 3 29 5 1 3 5 3 0 3 7 5 29 14 7 5 4 4 5 3 1 4 10 24 65 49 22 17 7 6 5 3 2 4 5 2 1 4 5 2 11 37 12 100 52 25 6 9 7 5 4 4 7 13 23 15 3 8 11 3 3 4 3 2 3 4 4 3 4 3 7 2 3 5 3 2 3 5 4 1 4 4 4 3 3 5 5 2 3 4 2 2 3 4 2 2 3 4 2 6 13 5 2 2 4 4 3 4 88 45 2 2 4 6 4 9 4 3 3 3 2 17 47 2 6 3 0 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 2 4 3 2 3 4 4 4 3 7 5 4 71 53 14 21 11 5 3 2 3 4 4 2 3 4 2 2 3 4 2 3 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1; 1HNMR: 83 83 s 1H | 80 79 d 1H J 93 | 73 73 d 1H J 27 | 70 70 dd 1H J 27 93 | 38 38 s 3H | 34 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCN(CCc2ccccc2)C1
ir: 6 4 3 5 12 8 1 3 5 6 2 4 4 3 2 3 4 4 4 6 7 5 7 7 6 4 3 3 6 5 24 11 38 17 11 12 7 3 7 20 34 31 8 8 7 3 4 5 4 2 5 5 3 1 3 5 4 7 22 4 2 2 6 7 8 4 7 14 8 35 8 6 5 7 29 18 11 11 32 87 4 3 5 6 19 24 11 8 14 12 8 9 4 4 8 7 8 19 29 17 16 9 10 19 9 9 12 18 28 51 39 39 5 20 11 9 10 4 14 13 8 2 14 9 10 23 21 15 16 7 7 3 8 10 19 31 6 15 4 3 2 8 18 14 14 42 100 30 3 5 5 11 10 5 3 1 1 3 3 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 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 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 1 3 6 4 3 6 8 20 11 11 15 8 6 14 24 26 25 43 35 50 23 10 3 3 4 6 5 3 2 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 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 73 73 m 2H | 73 72 m 1H | 72 72 m 1H | 72 72 m 1H | 38 37 m 1H | 29 28 m 2H | 29 28 d 3H J 15 | 28 26 m 6H | 21 20 hept 3H J 56 | 20 19 m 7H | 18 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1(CCNCC2CC2)c2cc(OC)ccc2CCC12OCCO2
ir: 1 1 2 2 1 3 1 1 1 3 1 1 1 4 2 5 1 1 2 1 1 5 5 2 1 2 1 1 1 1 3 1 1 2 15 2 4 2 2 1 2 14 8 24 11 2 2 1 1 2 3 11 12 5 8 11 5 1 3 3 4 3 7 5 13 43 6 9 2 8 11 8 9 16 2 11 3 1 0 1 1 1 1 3 2 5 3 2 2 4 2 4 3 2 3 6 4 2 2 1 2 3 1 2 5 4 18 3 9 4 7 34 32 8 13 19 7 7 1 4 11 3 7 3 3 1 5 5 5 6 3 9 8 2 3 2 4 2 3 8 7 7 2 1 4 3 3 4 2 2 7 17 4 2 2 6 2 0 0 1 0 0 0 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 6 2 2 1 3 4 6 9 23 4 12 24 21 11 12 10 6 2 2 1 1 0 1 1 1 1 2 2 3 3 14 100 12 8 6 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 m 1H | 68 68 dd 2H J 21 61 | 57 56 ddt 1H J 69 106 159 | 52 52 dq 1H J 14 161 | 51 51 dq 1H J 13 106 | 42 41 m 1H | 40 39 m 2H | 39 38 m 2H | 38 38 s 2H | 29 27 m 5H | 26 26 dd 2H J 38 46 | 26 25 ddt 1H J 15 68 154 | 21 20 m 3H | 19 18 dt 1H J 53 143 | 11 10 pt 1H J 38 57 | 5 4 m 2H | 2 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCN)[C@@H]1CC[C@@H](OC(=O)C(O)(c2cccs2)c2cccs2)CC1
ir: 5 4 6 8 11 11 8 6 4 4 6 4 6 4 8 4 3 3 3 1 2 4 5 2 2 1 2 1 1 1 2 4 1 2 1 2 5 9 5 12 20 6 3 3 4 2 1 2 1 3 3 2 2 0 6 4 2 2 4 8 4 4 22 19 3 3 2 2 10 4 3 4 28 20 65 18 5 12 15 14 13 3 3 2 4 7 2 2 11 24 44 39 16 16 11 11 5 2 3 3 2 2 2 3 1 1 6 8 1 5 9 8 4 4 6 5 4 10 8 8 3 7 11 12 13 3 6 6 3 6 13 36 15 16 5 1 3 4 4 1 1 2 2 0 4 16 8 3 2 1 1 1 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 3 3 1 2 2 1 4 7 4 3 1 3 8 77 26 8 4 4 16 14 4 2 4 6 6 5 3 15 12 7 6 5 6 100 73 10 2 1 2 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; 1HNMR: 75 74 dd 2H J 22 35 | 71 70 m 4H | 49 48 tt 1H J 35 63 | 44 44 s 1H | 29 27 m 3H | 27 26 m 2H | 23 23 d 3H J 15 | 20 19 dddt 2H J 37 60 86 135 | 18 17 dddd 2H J 60 74 88 123 | 17 16 m 2H | 16 15 dddd 2H J 47 60 86 123 | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCc1cccc(C(CCO)NC(=O)c2c(F)cccc2F)c1
ir: 15 10 7 10 14 13 10 12 11 8 10 16 21 19 10 16 19 19 17 21 28 13 14 13 15 12 7 12 11 7 8 16 12 56 33 9 9 7 8 10 17 24 15 22 10 14 19 97 55 0 6 15 9 2 8 13 8 4 8 15 8 4 8 12 8 8 17 26 11 5 14 14 13 6 8 10 7 6 11 12 7 6 10 11 6 7 10 10 7 16 18 26 19 11 13 33 29 55 30 17 9 9 10 9 5 14 13 11 7 10 14 10 6 12 15 12 12 13 14 13 5 9 13 9 7 9 14 10 7 12 11 14 23 17 11 8 6 10 18 14 39 23 15 12 7 10 19 25 9 11 25 22 11 10 10 6 13 45 13 6 8 12 8 5 7 10 7 4 7 10 7 4 7 10 7 5 7 10 7 5 8 10 7 5 8 9 6 5 8 9 6 5 8 9 6 6 9 9 6 6 9 9 6 6 9 8 5 6 9 8 5 6 9 8 5 6 9 8 5 7 10 8 5 7 10 7 5 7 10 7 5 7 10 7 5 8 10 7 5 8 9 7 6 8 9 6 5 8 9 6 5 8 9 6 6 8 9 6 6 9 8 6 6 9 8 6 6 9 8 6 7 9 8 8 10 10 10 7 9 12 9 7 11 21 27 9 19 100 48 6 11 12 38 28 14 10 7 6 9 10 7 6 9 9 7 6 8 19 10 8 17 55 41 9 11 9 7 6 9 8 6 6 9 8 6 6 9 8 5 7 9 7 5 7 9 7 5 7 9 7 5 7 9 7 5 7 9 7 5 7 9 7 5 8 9 7 6 8 9 6 6 8 9 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 7 9 8 6 7 9 8 5 7 9 7 5 7 9 7 5 7 9 7 5; 1HNMR: 76 75 tt 1H J 52 79 | 75 74 d 1H J 80 | 73 73 m 2H | 72 71 m 3H | 71 71 dddd 1H J 8 20 30 65 | 50 49 m 1H | 36 35 dq 1H J 55 121 | 35 34 dq 1H J 57 123 | 31 31 t 1H J 56 | 26 25 m 2H | 21 20 ddt 1H J 56 63 145 | 19 18 ddt 1H J 57 65 146 | 16 15 m 2H | 14 12 m 8H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)Nc2cn(C3CCCCO3)nc2C(=O)NCCO)cn1
ir: 2 2 1 12 4 4 4 2 2 3 0 3 4 3 5 5 5 1 4 2 8 2 3 9 7 4 4 8 7 16 15 60 13 8 1 8 22 11 3 5 4 4 1 2 1 3 1 3 6 2 5 7 6 11 19 12 8 26 39 4 1 0 2 5 8 13 12 27 31 19 6 7 5 5 1 0 1 2 8 12 9 2 1 1 1 1 1 2 2 5 8 14 20 9 12 23 22 9 4 3 5 2 2 1 0 1 6 2 1 2 3 3 2 13 5 2 3 3 7 7 9 5 5 13 17 6 8 18 31 9 2 5 2 12 29 71 19 14 3 2 1 1 1 0 28 10 9 11 2 0 2 8 13 15 16 35 2 2 1 2 8 4 71 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 3 3 3 1 2 1 3 2 3 7 6 8 5 18 8 10 19 44 44 13 3 3 2 1 1 0 1 1 1 1 1 3 3 8 18 45 59 40 100 20 15 3 1 2 2 2 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 19 | 82 82 d 1H J 7 | 81 80 m 2H | 73 72 dd 1H J 8 79 | 59 59 m 1H | 54 54 t 1H J 57 | 39 38 ddd 1H J 33 49 104 | 37 37 ddd 1H J 33 49 104 | 36 36 dt 2H J 47 57 | 34 33 dt 2H J 47 61 | 25 25 d 3H J 7 | 24 23 dddd 1H J 23 54 80 148 | 21 20 dddd 1H J 23 54 79 147 | 20 19 m 1H | 18 17 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1OCC#N
ir: 0 4 9 4 0 5 10 6 3 7 9 5 4 10 10 8 1 6 8 4 4 7 9 3 2 6 7 2 3 10 9 2 2 7 7 15 10 22 6 1 3 8 6 3 13 28 37 23 5 8 5 1 4 8 5 1 5 10 6 16 7 11 6 1 6 9 8 11 18 14 4 1 6 8 4 4 23 30 8 2 7 9 5 2 7 6 2 2 7 6 2 4 10 7 3 3 9 7 3 9 14 7 2 4 9 6 1 7 13 6 2 5 8 4 1 5 9 6 2 6 9 4 2 5 8 7 4 6 7 5 3 5 6 3 4 9 16 20 8 42 27 26 4 7 6 2 4 7 7 2 3 7 6 2 3 7 13 6 4 8 5 1 4 8 5 1 4 8 5 1 4 8 4 1 4 8 4 1 5 11 5 1 5 7 3 2 5 7 3 2 6 7 3 2 6 6 3 2 6 6 2 3 6 6 2 3 7 6 2 3 7 5 2 3 7 5 1 4 7 5 1 4 7 5 1 4 8 4 1 4 8 4 1 5 7 4 1 5 7 4 1 5 7 3 2 5 7 3 2 6 6 3 2 6 6 3 2 6 6 3 3 6 6 2 3 7 6 2 4 8 7 3 4 9 6 2 5 10 6 3 7 12 13 13 10 18 14 100 49 11 9 5 6 7 6 3 5 6 4 3 5 6 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 7 4 2 5 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 6 5 3 3 6 5 3 3 6 5 3 4 6 5 2 4 6 5 2 4 6 5 2 4 6 4 2 4 7; 1HNMR: 70 70 m 2H | 69 69 dd 1H J 70 82 | 49 49 s 2H | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(c2ccccc2NS(=O)(=O)c2cccc(F)c2)Nc2ccc(Cl)cc21
ir: 3 10 45 5 3 13 4 11 2 4 7 9 3 2 6 5 3 2 2 2 9 2 7 6 2 1 2 3 6 3 6 10 5 4 8 11 3 3 7 4 21 14 10 14 24 8 6 18 8 6 11 3 2 22 31 16 3 2 2 1 2 1 1 3 10 25 11 15 8 2 3 4 2 1 3 3 7 6 4 2 1 1 2 4 5 31 27 11 2 2 2 3 4 5 3 7 12 3 5 2 2 14 65 8 2 2 3 2 2 1 5 3 6 5 4 2 5 2 5 6 3 8 4 9 6 20 4 3 2 3 1 4 5 2 1 2 4 37 3 9 9 3 5 4 8 4 15 2 3 22 4 38 1 28 3 7 2 1 1 3 6 1 8 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 3 3 5 7 35 100 25 2 4 5 1 0 3 2 1 1 1 2 1 1 1 2 1 1 3 1 2 2 11 63 29 15 37 23 4 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 82 82 s 1H | 78 77 ddd 1H J 12 22 83 | 76 76 dt 1H J 22 121 | 76 75 m 1H | 75 74 m 2H | 73 72 m 1H | 72 71 m 3H | 70 69 m 1H | 69 68 m 1H | 51 50 m 1H | 43 43 d 1H J 66 | 24 23 dd 1H J 49 136 | 22 21 dd 1H J 49 136 | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.