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CCOP(=O)(OCC)C(C)N
ir: 1 8 17 7 5 5 4 4 3 3 4 3 4 7 8 7 3 4 4 3 2 3 4 2 2 3 4 3 2 5 8 7 6 6 4 3 4 14 8 6 8 14 17 4 3 5 4 2 3 4 3 4 7 15 36 17 12 34 8 2 4 6 3 0 10 26 21 26 9 9 10 14 18 51 33 7 16 21 16 29 24 13 14 4 11 12 10 4 3 3 3 3 4 4 6 4 3 3 3 3 4 3 3 3 4 4 3 6 11 5 4 4 4 5 6 8 7 8 13 11 20 10 8 7 4 4 4 5 4 8 5 5 8 9 28 27 6 3 4 4 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 5 6 3 3 4 4 3 6 5 5 6 5 7 8 9 8 5 4 2 3 3 3 2 3 3 3 3 3 4 4 3 5 7 20 14 7 4 7 4 13 100 34 4 5 5 3 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 42 40 m 4H | 31 29 dh 1H J 72 114 | 17 16 d 2H J 75 | 13 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2ncc(-c3ccc(C)cc3)s2)cc1
ir: 4 3 4 10 9 4 7 7 4 3 5 6 11 7 5 7 12 24 15 4 0 3 4 2 0 1 1 0 0 1 1 1 1 3 4 2 1 1 1 1 1 2 2 11 12 3 3 1 2 8 34 13 32 45 11 42 36 7 3 1 1 1 1 1 5 2 1 2 4 12 5 1 5 4 3 2 1 2 2 2 1 1 3 7 10 3 7 5 3 2 2 9 3 3 3 3 6 2 4 3 2 1 0 1 1 1 0 1 2 2 4 7 9 7 8 4 18 11 8 15 6 6 1 11 6 26 36 12 6 4 0 1 1 1 0 1 1 0 1 1 2 2 6 100 55 1 0 6 10 7 19 18 20 3 3 1 1 1 1 1 1 0 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 2 2 1 1 2 1 1 1 2 2 1 1 2 3 8 12 19 42 54 55 10 7 7 8 3 4 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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: 82 81 s 1H | 80 80 m 2H | 79 78 m 2H | 77 76 m 2H | 73 72 m 2H | 44 44 q 2H J 64 | 24 23 d 3H J 10 | 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.
CC(=O)N1CCC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
ir: 1 7 14 9 2 4 10 9 9 27 14 20 4 8 5 9 15 8 17 12 25 4 8 8 11 31 21 6 4 6 17 10 6 28 59 7 28 17 97 27 44 18 11 6 7 7 6 15 4 4 4 13 8 4 6 21 12 12 4 1 4 4 15 9 3 5 7 1 5 17 17 10 7 6 3 1 3 6 7 4 18 16 2 1 3 4 2 4 41 8 4 4 14 6 1 9 6 11 28 30 7 5 2 5 9 6 4 35 31 6 3 5 10 12 4 3 5 7 2 7 9 5 4 7 5 5 12 30 11 16 6 8 33 7 6 7 8 9 14 100 16 5 4 3 8 48 10 60 26 15 7 68 19 12 37 11 27 18 29 7 4 1 2 5 16 38 8 5 2 0 2 3 2 0 2 3 1 0 2 2 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 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 2 2 1 1 3 4 3 2 3 4 4 4 3 2 2 3 4 6 9 26 12 14 28 55 23 9 7 4 3 2 1 2 2 1 2 2 3 2 1 2 3 5 2 4 8 25 25 33 17 5 3 4 3 1 1 3 3 2 2 3 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 87 s 1H | 84 83 dd 1H J 21 47 | 83 83 s 1H | 76 76 d 1H J 22 | 74 74 dd 1H J 20 82 | 72 71 m 3H | 48 47 s 2H | 42 40 m 4H | 30 29 td 2H J 41 64 | 21 20 m 5H | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2OCCO2)c(F)c1I
ir: 0 4 7 3 0 3 6 3 1 7 11 8 2 7 7 3 2 9 14 7 4 8 7 3 4 12 8 4 6 8 6 2 2 5 7 3 3 9 8 3 9 8 5 1 3 6 8 6 5 21 19 13 24 85 100 17 21 21 21 12 38 21 14 4 6 5 4 6 8 17 14 3 6 7 25 43 27 31 31 12 10 7 2 2 6 7 5 5 15 46 9 3 5 5 2 3 5 5 1 3 10 18 9 5 8 5 2 7 13 12 8 8 14 5 3 7 13 11 9 13 13 10 3 9 8 6 5 8 8 3 2 5 6 2 1 4 5 2 2 5 27 63 6 8 6 5 2 5 5 4 11 58 28 3 4 7 7 2 3 76 12 0 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 6 2 1 4 5 2 1 4 5 2 2 4 5 2 1 4 5 2 1 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 3 1 3 6 3 0 3 6 3 1 3 5 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 4 2 2 5 4 2 2 5 5 2 3 5 4 1 3 6 5 3 5 10 7 3 5 10 5 15 17 12 53 38 49 16 7 4 5 6 4 3 5 6 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 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 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 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5; 1HNMR: 74 74 m 1H | 68 67 d 1H J 79 | 59 59 dd 1H J 7 40 | 41 40 m 2H | 40 39 m 2H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CC1(C)CN(Cc2ccccc2)[C@H](C)CO1
ir: 6 10 5 4 17 5 2 4 6 5 3 3 4 7 2 6 2 1 1 1 1 1 1 3 1 2 2 2 2 1 17 9 3 5 3 3 2 5 68 20 100 16 6 3 6 4 5 2 5 2 1 0 2 3 3 1 2 10 10 0 3 6 12 12 2 6 4 4 11 14 7 13 16 13 3 6 8 6 10 2 18 8 10 22 65 39 88 43 83 66 50 28 8 18 17 8 6 7 8 3 3 4 3 4 2 1 3 2 4 8 3 3 1 2 4 4 5 4 3 6 4 5 3 3 2 2 6 3 3 5 9 7 6 19 14 14 6 4 2 5 2 2 18 32 7 2 2 1 1 0 0 10 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1 2 4 2 1 4 2 2 4 3 4 4 5 7 4 14 30 12 17 65 28 5 3 2 6 6 21 54 15 5 4 2 2 1 1 2 1 1 2 2 1 1 3 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 73 73 s 4H | 40 39 hd 1H J 50 65 | 38 38 d 1H J 124 | 37 36 dd 1H J 23 103 | 35 35 d 1H J 123 | 35 34 m 2H | 33 32 d 1H J 125 | 31 30 d 1H J 123 | 27 26 qdd 1H J 24 51 73 | 19 18 dd 1H J 68 139 | 16 15 dd 1H J 69 140 | 13 12 m 6H | 11 11 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1c(C(=O)OC)ccn1CCO
ir: 8 6 3 6 9 10 11 16 6 4 4 2 0 4 3 1 2 3 4 3 1 3 2 2 1 7 9 1 4 6 4 1 4 6 8 1 2 2 3 2 1 1 1 2 1 2 2 2 2 6 7 5 21 10 2 1 1 1 1 2 4 2 2 4 8 3 2 1 2 1 1 0 1 1 1 3 3 4 4 0 3 2 2 3 8 6 3 11 18 28 55 100 28 13 10 13 7 6 5 2 4 3 11 4 1 2 1 1 2 3 3 2 4 5 17 7 7 8 2 8 5 10 7 6 6 5 5 1 1 2 1 2 3 1 1 2 1 1 0 2 5 11 12 6 20 9 3 2 7 39 20 6 4 4 1 1 1 1 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 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 3 1 3 2 3 4 3 2 2 5 4 5 4 8 15 7 8 7 12 14 17 19 17 14 45 36 8 3 1 2 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 d 1H J 57 | 69 69 dt 1H J 9 57 | 40 40 td 2H J 8 37 | 40 39 t 1H J 56 | 39 38 d 5H J 55 | 38 38 dt 2H J 37 57 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(NC(=O)C=Cc2ccccc2)c1
ir: 3 1 0 1 3 3 1 4 3 2 3 3 2 1 1 3 4 1 1 2 3 1 1 2 3 5 5 3 5 12 13 14 10 19 8 7 6 3 2 3 6 21 18 11 4 0 4 19 18 7 9 7 2 0 2 3 2 1 2 3 1 0 2 3 2 2 4 11 8 10 10 6 3 3 3 4 4 3 8 16 7 6 5 4 1 2 2 2 1 1 10 2 11 2 3 3 2 2 3 2 0 1 4 46 4 2 5 2 1 1 3 2 0 1 3 1 0 2 3 1 1 2 4 3 0 2 3 5 2 3 3 5 2 2 4 3 14 4 4 2 3 14 26 100 23 45 25 20 6 9 3 2 7 10 6 3 4 14 7 1 2 4 3 14 3 5 4 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 3 1 3 4 7 5 20 36 18 9 3 5 2 0 3 3 2 1 2 3 2 0 2 2 1 1 3 4 3 11 16 42 9 3 4 3 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 97 96 s 1H | 91 91 s 1H | 76 75 m 2H | 75 73 m 7H | 73 73 m 1H | 71 71 t 1H J 22 | 67 67 d 1H J 159 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
ir: 15 11 24 13 3 4 6 6 5 20 18 21 21 7 13 6 1 7 11 7 13 11 10 10 16 21 28 16 4 7 13 13 11 57 8 2 5 14 6 11 25 17 8 5 4 6 6 3 7 7 4 18 4 5 3 4 20 7 15 4 9 15 23 7 7 6 3 2 4 5 2 1 18 26 5 4 4 5 3 12 4 5 3 2 3 4 2 2 4 4 2 3 5 11 8 13 8 5 2 3 6 7 4 7 12 11 6 14 8 15 10 26 25 24 14 16 68 28 17 12 12 16 15 12 10 16 11 13 37 34 39 26 36 14 32 14 12 10 6 5 6 3 4 11 5 20 54 74 22 0 6 100 6 6 5 3 3 3 3 4 3 1 2 4 3 1 3 4 2 1 3 4 3 2 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 2 4 2 1 2 4 2 1 3 4 2 2 4 4 2 2 3 3 2 1 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 4 3 4 5 6 4 4 9 6 9 6 13 8 7 16 13 16 12 93 11 5 3 3 5 3 1 3 4 3 2 3 4 2 1 3 5 2 3 5 5 3 4 6 4 5 56 41 29 4 6 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3; 1HNMR: 62 61 d 1H J 68 | 44 44 dd 1H J 29 57 | 41 40 dd 1H J 29 115 | 40 37 m 6H | 19 18 m 9H | 18 16 m 6H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1O
ir: 5 10 6 6 7 4 4 5 5 4 4 6 8 12 12 13 6 6 6 6 6 11 8 4 6 17 9 4 5 4 5 4 8 7 7 5 6 19 20 100 69 61 17 18 11 4 4 6 4 3 4 6 4 4 4 5 4 3 4 5 6 4 9 6 4 4 4 4 4 5 4 4 4 4 5 10 5 4 10 6 6 7 8 11 13 8 9 5 6 10 6 7 4 5 4 4 4 5 6 6 17 9 36 11 6 6 12 4 4 4 4 4 4 6 5 6 6 5 6 8 6 5 5 4 4 7 20 8 6 5 4 6 31 5 5 5 8 10 5 5 9 14 5 10 40 6 4 5 8 7 39 7 8 48 7 26 6 0 7 70 2 9 5 1 3 6 4 2 3 5 4 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 5 6 7 6 10 13 31 8 14 18 79 15 9 6 4 4 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3; 1HNMR: 96 95 s 1H | 86 85 dd 1H J 21 34 | 84 83 dd 1H J 21 78 | 75 74 dd 1H J 34 78 | 74 73 m 2H | 72 71 qd 2H J 14 88 | 58 57 dd 2H J 8 39 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OCC)OC(C)(C)C
ir: 7 5 5 3 4 10 17 5 7 5 3 4 9 2 5 5 6 8 6 2 9 3 4 11 2 15 3 3 1 1 1 1 1 1 2 2 18 4 4 2 4 4 4 3 2 4 3 1 2 6 3 2 2 4 7 6 4 3 5 2 3 5 10 4 3 4 5 5 1 2 2 9 10 8 12 5 3 4 2 6 4 2 1 1 1 1 1 4 2 2 4 3 11 3 4 3 3 4 6 7 5 16 11 9 5 9 20 25 22 16 16 15 15 14 27 12 10 8 9 33 37 15 20 9 5 8 11 10 16 12 9 8 3 3 4 3 3 4 4 5 6 6 8 9 69 31 13 14 6 2 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 3 3 6 7 5 7 11 17 12 9 8 8 12 12 14 51 100 28 8 3 3 3 2 2 2 2 2 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 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1; 1HNMR: 42 41 q 2H J 66 | 37 36 m 1H | 26 25 dddd 1H J 18 54 73 146 | 24 24 dddd 1H J 18 55 72 146 | 23 22 t 2H J 85 | 23 22 m 1H | 21 20 ddddd 1H J 20 38 49 87 106 | 19 17 m 3H | 16 15 m 5H | 15 12 m 20H | 12 12 s 7H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnnc1[C@@H]1CCC[C@H](C(=O)O)C1
ir: 0 3 5 12 8 8 7 5 4 9 19 13 84 14 68 22 6 22 23 15 100 57 90 48 12 59 7 4 6 6 7 3 4 4 4 1 2 4 3 1 1 5 3 2 3 4 5 13 2 5 3 1 2 6 9 7 3 7 3 1 3 5 2 3 3 5 3 1 4 5 4 1 5 7 3 2 46 24 52 77 8 28 7 4 4 5 4 3 5 8 2 3 4 3 3 2 6 8 6 6 7 5 4 8 10 15 19 14 15 8 16 19 44 21 11 9 9 5 10 14 7 5 5 10 7 8 6 19 7 3 4 4 9 5 8 7 5 4 3 5 5 3 6 13 18 5 8 5 4 1 1 3 3 1 2 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 2 3 3 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 4 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 5 5 3 3 11 4 7 7 8 3 5 5 13 10 6 33 13 7 1 4 5 2 1 4 4 3 0 42 50 11 3 3 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 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; 1HNMR: 41 40 s 2H | 29 28 ddddd 1H J 25 48 59 74 86 | 26 25 ddddd 1H J 25 48 58 73 84 | 23 22 dt 1H J 58 143 | 21 20 m 2H | 20 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)C(Cc1cccc(OC)c1N(C(C)=O)C(C)=O)(C(=O)OCC)C(=O)OCC
ir: 10 6 4 4 5 2 3 6 6 4 6 10 5 6 2 7 9 5 4 3 9 8 6 5 6 2 3 2 1 5 2 9 2 1 2 2 2 4 2 5 6 12 7 3 3 2 3 1 16 5 2 4 2 3 2 3 3 6 3 1 2 4 2 2 2 4 4 3 5 2 5 9 100 7 4 6 19 7 2 3 2 2 16 4 2 1 1 1 2 3 4 7 3 10 16 5 12 6 2 3 3 5 4 6 12 7 8 4 9 2 3 5 1 10 7 4 5 17 7 6 3 7 9 3 1 2 5 5 6 3 4 2 23 5 11 22 7 3 4 8 2 27 4 7 9 57 44 11 3 7 8 92 15 2 1 2 1 0 2 7 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 4 5 1 2 2 2 3 4 3 2 2 4 4 9 14 15 8 7 20 10 6 13 1 4 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 71 70 dd 1H J 74 81 | 71 70 ddt 1H J 8 16 73 | 69 68 dd 1H J 16 81 | 43 42 m 4H | 39 39 s 2H | 34 33 d 2H J 7 | 28 27 t 4H J 66 | 24 24 s 5H | 16 15 dtd 4H J 65 73 140 | 12 12 t 6H J 60 | 10 9 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1
ir: 1 1 1 1 1 2 1 1 2 1 3 2 1 1 1 2 3 3 3 2 2 4 4 2 2 4 5 1 2 2 2 1 2 1 0 1 1 3 2 2 1 1 1 1 2 0 4 3 2 2 5 1 3 5 16 19 11 12 16 42 5 3 3 6 12 2 11 6 17 19 4 2 7 6 6 6 6 1 1 1 2 4 3 1 7 1 2 2 2 3 7 8 1 1 9 3 1 0 1 0 1 1 1 1 1 2 2 5 9 19 48 15 11 9 6 11 19 9 3 9 8 6 7 2 3 6 2 3 8 7 3 1 1 4 9 5 1 16 3 1 4 2 2 6 3 3 5 37 8 14 3 4 8 87 0 7 6 1 1 1 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 3 3 2 3 1 1 2 3 2 10 25 8 8 36 10 8 22 4 2 1 1 1 1 0 0 1 1 1 2 1 1 3 4 100 7 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 td 1H J 6 28 | 74 74 t 1H J 9 | 72 71 d 0H J 7 | 71 70 m 1H | 68 67 dt 1H J 8 66 | 43 43 p 1H J 40 | 42 41 d 2H J 52 | 40 39 m 2H | 39 38 m 3H | 37 36 ddd 2H J 35 60 104 | 32 31 td 2H J 34 43 | 29 28 tdd 2H J 9 28 70 | 28 28 m 2H | 24 24 d 3H J 7 | 23 22 m 2H | 21 20 m 2H | 20 19 ddt 2H J 37 60 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1c(C(=O)c2cc3ccccc3cn2)[nH]c2ccc(Cl)cc12
ir: 3 3 11 7 1 3 5 2 1 4 8 8 2 5 11 8 2 4 5 3 4 7 4 6 4 18 12 5 13 8 7 3 6 11 10 4 8 5 11 2 3 6 29 2 11 6 5 2 4 14 6 4 3 4 47 3 3 6 3 0 3 7 28 1 11 5 4 4 23 31 2 3 4 6 8 8 6 5 2 8 4 4 2 2 38 5 1 2 4 5 1 3 6 16 15 5 5 10 6 4 17 13 11 4 13 6 1 5 5 18 2 5 7 8 5 4 6 6 10 14 11 21 29 7 13 7 2 5 7 3 11 14 17 32 9 6 5 6 3 4 7 6 21 49 14 18 5 6 6 13 10 12 10 11 10 5 4 5 8 6 4 2 20 4 3 1 3 5 23 3 3 5 2 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 5 4 2 6 5 3 3 3 7 8 4 17 15 47 44 34 17 7 3 4 7 5 2 3 5 3 2 4 4 3 2 3 4 4 3 4 3 3 6 6 12 100 4 10 5 2 2 3 3 2 2 4 4 1 2 3 3 2 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 94 93 d 1H J 25 | 84 84 m 1H | 81 80 ddt 2H J 17 78 156 | 77 76 m 2H | 76 75 m 1H | 74 73 d 1H J 72 | 73 72 dd 1H J 26 73 | 40 40 s 2H | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1COC(c2nsc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)=N1
ir: 20 10 5 9 12 9 2 8 5 12 5 6 5 7 7 3 5 1 2 2 2 4 3 3 4 6 3 4 3 1 1 2 2 3 4 6 9 5 3 4 2 0 1 5 3 4 6 5 3 0 80 8 4 12 29 2 3 4 3 2 6 5 5 4 5 11 74 23 16 6 3 4 9 4 2 2 3 7 3 2 3 4 6 2 2 3 4 14 5 4 5 3 2 2 2 2 4 6 35 63 14 4 3 8 18 100 19 8 7 3 5 2 1 4 2 4 36 9 4 4 6 6 4 15 16 6 9 5 5 4 7 5 1 3 7 11 5 3 3 1 2 42 10 2 4 12 10 47 3 2 2 2 2 7 21 17 73 2 1 4 3 1 39 23 10 4 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 2 2 2 2 3 5 3 3 2 5 4 11 8 22 20 9 28 7 7 3 3 3 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 88 87 d 1H J 22 | 78 78 d 1H J 78 | 77 77 dd 1H J 21 78 | 60 59 q 1H J 13 | 44 44 dd 1H J 49 93 | 42 42 dd 1H J 49 93 | 40 40 dtq 1H J 16 48 95 | 33 33 s 2H | 17 16 dp 1H J 67 75 | 8 7 ddd 6H J 15 68 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCCC(=O)C1C(=O)OC(C)(C)OC1=O
ir: 3 4 2 2 1 1 2 1 0 1 1 2 3 2 3 5 4 1 4 2 1 2 1 1 0 1 1 2 2 2 1 1 1 2 1 1 0 1 1 3 2 2 4 3 2 1 1 1 2 2 2 2 3 3 1 1 1 3 1 0 1 1 3 2 3 3 6 1 1 3 1 1 1 1 0 0 1 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 3 2 1 0 1 3 3 17 16 9 4 2 2 2 2 1 2 2 4 2 9 5 3 5 4 4 1 2 9 8 5 3 11 12 6 8 9 6 5 3 3 1 1 2 10 33 40 11 9 38 100 18 4 4 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 3 2 2 2 3 2 2 2 2 2 4 8 4 15 7 7 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 43 42 s 1H | 34 33 m 2H | 33 33 s 3H | 26 25 m 2H | 18 17 s 5H | 16 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1ccc2ocnc2c1
ir: 1 2 2 5 2 2 2 2 1 2 3 4 4 4 2 3 5 4 10 8 17 59 24 6 5 6 5 1 1 2 2 1 1 2 2 1 3 4 2 1 1 2 1 1 1 3 2 1 1 2 1 1 1 1 2 2 1 2 1 1 2 2 2 1 1 2 2 1 3 3 3 3 2 3 2 3 4 7 13 12 20 3 3 2 3 3 5 6 3 2 2 1 2 2 2 2 4 5 4 3 5 2 1 1 2 1 1 1 2 1 1 3 3 3 2 2 2 2 1 2 3 1 1 1 2 1 2 2 4 4 3 2 1 1 1 1 1 1 1 2 2 2 10 8 4 2 2 1 4 2 4 3 1 4 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 2 4 12 4 2 2 3 1 1 3 11 100 72 66 2 3 4 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 78 78 dd 1H J 8 16 | 75 74 d 1H J 90 | 73 73 ddd 1H J 7 17 90 | 38 38 m 1H | 15 15 d 4H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(Cc1cccc(O)c1)C(=O)OCc1ccccc1
ir: 3 3 3 5 8 5 2 11 3 5 10 6 3 3 3 1 1 2 2 2 2 2 6 1 1 1 1 2 5 3 6 4 6 6 2 3 3 4 7 18 28 11 7 2 7 7 10 15 12 4 2 2 2 3 1 2 2 2 1 14 12 39 12 5 4 8 21 17 10 35 33 6 4 3 5 6 14 27 11 5 7 33 89 100 36 3 3 2 4 10 3 3 3 2 3 3 9 5 5 3 3 3 0 1 3 4 7 5 5 1 4 1 2 2 1 2 3 2 4 5 8 8 11 6 7 6 15 24 6 7 7 17 21 29 36 40 11 9 2 3 6 3 5 15 69 9 7 1 1 2 1 5 5 3 3 14 3 0 1 3 13 8 2 1 1 1 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 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 4 2 3 1 2 4 3 3 6 6 11 24 44 42 9 5 2 3 5 8 91 15 15 5 4 4 10 38 26 12 7 4 4 6 80 21 1 3 3 1 0 2 1 0 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 4H | 73 73 m 1H | 72 71 dd 1H J 79 85 | 70 69 ddq 1H J 9 20 79 | 68 68 ddd 1H J 11 21 84 | 67 66 tt 1H J 9 21 | 58 58 s 1H | 52 51 m 2H | 49 48 d 2H J 70 | 39 38 p 1H J 68 | 31 30 ddt 1H J 9 67 143 | 29 28 ddt 1H J 9 68 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(=O)n(O)c(=O)c2cc(F)c(N3CCCC3)nc21
ir: 2 12 14 6 4 3 6 4 12 14 3 2 2 2 4 2 1 3 2 2 2 2 3 2 2 2 4 3 2 7 3 2 3 5 7 5 4 3 6 11 10 7 2 4 5 6 4 10 36 96 16 2 5 3 6 1 7 4 4 7 5 3 2 2 4 3 3 2 3 5 2 2 3 3 2 2 2 2 2 2 3 3 2 3 3 6 11 4 6 6 5 6 5 11 54 15 12 8 8 12 10 6 9 8 6 7 9 43 13 6 4 5 10 7 4 3 3 3 2 4 8 3 2 4 4 3 4 13 4 2 2 2 3 2 6 9 10 17 29 8 4 3 1 3 25 3 2 3 12 33 2 3 26 9 1 6 3 0 18 100 8 44 3 0 2 2 2 1 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 2 3 4 3 3 4 4 4 3 2 4 3 2 9 6 4 12 9 4 3 1 3 7 6 10 45 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 98 98 s 1H | 80 80 d 1H J 121 | 44 43 q 2H J 81 | 38 37 m 4H | 21 20 m 4H | 14 13 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCCCOC(=O)c1ccc2c(c1)ncn2CCCCC(C)=C(F)F)=C(F)F
ir: 2 4 6 4 6 10 5 4 3 7 3 2 1 3 4 3 2 3 3 1 1 3 4 7 31 7 2 10 10 2 3 2 3 8 3 3 5 2 5 4 6 7 4 4 2 4 2 1 1 2 2 2 1 5 6 8 7 6 2 0 2 3 3 1 5 6 14 10 12 5 2 7 5 2 1 1 1 3 3 2 9 3 1 1 1 1 1 1 2 2 1 1 1 4 3 1 2 3 14 39 12 9 4 8 4 2 4 4 5 7 6 7 9 16 25 46 19 24 11 15 11 6 7 8 21 7 7 4 1 4 3 2 2 1 2 1 1 2 1 1 1 2 3 1 4 14 100 25 4 1 2 6 30 13 3 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 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 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 3 3 3 4 7 4 6 4 2 3 4 3 10 13 19 12 16 33 8 11 9 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 d 1H J 24 | 81 80 d 1H J 9 | 80 79 dd 1H J 21 85 | 75 75 d 1H J 86 | 43 42 m 4H | 23 22 m 4H | 19 18 m 2H | 18 17 m 8H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)n(-c2ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c2)c2ccccc21
ir: 6 6 11 9 3 7 7 5 13 6 8 3 2 3 3 3 5 5 4 7 3 3 3 2 3 7 17 8 5 4 8 3 2 3 2 1 2 3 10 7 3 4 8 12 94 15 5 2 3 5 2 2 2 3 2 1 2 4 2 2 3 2 2 4 16 20 6 21 7 5 9 3 2 14 9 4 24 11 2 1 3 4 5 6 5 2 1 1 2 2 1 1 2 2 3 7 2 3 4 2 3 2 1 7 5 2 1 2 3 2 1 2 30 4 1 2 4 3 2 3 7 6 12 8 14 3 13 6 3 3 3 3 8 23 45 17 7 7 2 6 3 2 3 3 2 2 3 14 8 3 3 3 5 12 8 64 100 1 1 9 4 14 60 6 3 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 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 4 2 2 3 2 1 3 3 3 2 14 8 7 30 33 5 5 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 83 82 d 1H J 51 | 78 78 d 1H J 21 | 76 76 m 1H | 75 74 m 1H | 72 71 m 4H | 48 48 s 3H | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(-c2nc(CCl)cs2)cc1
ir: 5 3 1 3 3 3 2 2 2 1 0 2 3 1 2 3 14 9 2 3 2 1 1 2 2 1 1 2 2 1 1 2 4 1 1 3 2 1 1 5 4 2 3 4 5 2 4 10 2 1 4 2 6 28 13 8 15 0 3 6 3 9 8 18 4 2 2 3 2 13 10 5 1 1 2 3 1 0 2 3 1 0 3 3 2 1 8 3 2 9 70 6 4 3 4 3 2 6 13 20 9 3 2 1 1 2 3 2 2 3 7 18 11 7 4 2 1 2 5 6 15 10 17 9 8 12 7 10 10 8 8 7 35 9 4 19 3 3 3 1 1 1 2 1 1 2 1 1 2 1 2 6 32 15 9 3 2 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 4 7 5 3 1 2 3 3 2 4 5 4 7 7 13 52 12 62 100 56 5 8 5 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 78 78 m 2H | 74 74 m 2H | 72 72 t 1H J 9 | 46 46 d 2H J 9 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2CC2)cc1NC(=O)OC(C)(C)C
ir: 1 10 2 2 2 2 2 1 2 5 6 2 1 1 1 1 1 1 2 1 1 3 3 3 7 2 4 3 6 9 15 12 27 36 13 27 15 5 11 12 4 3 2 2 1 0 1 1 2 0 1 1 3 8 10 2 2 1 1 1 2 0 1 3 2 0 1 5 11 13 3 1 1 0 0 1 0 0 0 0 1 1 0 1 1 2 1 3 1 1 1 1 1 1 1 1 9 25 6 12 1 2 1 1 1 1 22 2 2 7 3 1 0 1 2 1 2 3 4 3 3 3 2 2 2 1 2 2 2 1 5 7 0 1 1 0 1 31 22 2 1 0 1 12 8 2 10 7 46 18 11 12 34 34 20 13 5 2 3 3 5 2 1 1 6 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 1 1 1 4 3 5 10 14 10 18 18 28 7 4 5 3 2 1 1 1 1 1 0 2 2 1 2 1 1 3 2 4 7 7 9 100 35 9 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 7 21 | 72 71 dq 1H J 11 86 | 71 71 s 1H | 70 69 m 1H | 26 25 m 1H | 24 23 d 3H J 9 | 15 14 s 8H | 14 13 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.
COc1ccc2c(c1)CC[C@H]1[C@@H]3CC4OCCOC4[C@@]3(C)CC(=O)[C@]21C
ir: 15 2 5 5 3 4 6 4 15 6 2 2 6 12 9 2 4 2 9 2 2 3 1 7 7 13 6 1 6 8 2 2 11 70 14 4 2 4 1 1 1 3 2 2 12 2 1 1 1 2 1 2 6 30 39 73 49 57 9 3 5 13 2 9 11 16 7 50 37 15 7 1 36 2 3 2 2 11 24 19 8 3 3 4 2 1 4 22 5 3 4 5 22 9 11 7 3 2 68 7 6 1 7 7 3 5 7 7 7 4 6 7 28 14 10 8 2 5 15 7 5 11 21 4 14 18 9 8 3 10 7 4 4 8 7 7 14 4 5 1 2 4 6 33 33 56 6 0 2 4 6 40 36 20 42 3 3 1 1 1 1 0 3 3 0 1 0 0 0 1 1 1 0 0 0 0 0 1 1 1 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 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 6 7 11 11 9 6 13 14 8 11 28 52 100 40 53 69 10 8 3 3 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 d 1H J 81 | 68 67 dd 1H J 21 81 | 66 66 dt 1H J 9 20 | 40 39 m 4H | 38 37 m 2H | 38 38 s 3H | 29 28 m 3H | 25 25 d 1H J 169 | 21 19 m 2H | 19 18 m 2H | 18 17 dddd 1H J 51 68 75 134 | 17 16 ddd 1H J 48 62 137 | 16 15 s 2H | 10 9 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21
ir: 2 6 2 1 0 1 2 2 0 1 1 1 0 5 2 2 5 1 1 1 1 3 4 2 1 1 1 2 2 2 1 2 3 2 4 5 3 3 2 3 13 17 9 53 25 2 3 1 1 2 1 1 1 2 9 7 38 6 4 2 4 5 5 8 3 5 3 5 6 10 3 2 1 3 1 4 5 8 3 1 1 1 0 1 1 1 0 7 1 2 2 2 5 1 1 1 1 2 2 3 3 1 3 13 13 8 6 13 9 2 1 1 2 1 1 2 2 4 7 11 10 12 31 32 13 30 24 11 5 6 1 1 1 0 0 1 2 3 20 5 4 2 5 20 6 5 11 5 20 13 24 34 32 6 1 6 2 2 1 1 1 1 11 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 1 0 0 0 1 0 1 1 1 0 1 1 2 1 1 4 5 1 2 1 2 3 1 2 3 18 13 16 37 100 36 8 12 12 7 6 3 1 1 1 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 84 m 1H | 79 78 m 2H | 76 76 q 1H J 7 | 75 74 m 1H | 73 73 m 2H | 70 70 m 2H | 41 41 td 2H J 9 54 | 38 38 s 2H | 19 18 tt 2H J 53 70 | 14 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2)c1
ir: 7 4 2 2 3 2 4 5 3 2 3 3 1 3 6 6 5 1 1 4 4 3 8 11 13 12 14 7 2 4 4 3 9 7 15 5 11 51 59 45 16 14 17 19 42 8 6 6 6 4 2 2 4 19 12 10 23 24 3 3 2 2 3 4 6 3 5 4 9 3 5 3 2 1 2 3 2 3 2 7 10 3 2 3 2 7 8 3 4 5 4 3 1 1 2 4 2 5 5 3 1 23 4 9 23 11 9 2 1 3 2 3 7 4 3 2 1 3 2 10 6 6 15 9 3 2 7 3 4 2 5 4 2 2 6 3 2 4 7 7 17 5 7 1 34 100 18 34 12 6 5 24 7 36 60 10 3 2 2 1 1 7 2 4 10 3 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 2 3 6 1 17 41 28 10 4 2 1 2 2 1 1 1 1 2 1 1 2 2 2 1 3 4 2 6 5 15 43 44 14 8 4 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 s 2H | 85 85 s 1H | 78 77 m 2H | 75 75 m 2H | 75 74 d 1H J 86 | 74 74 d 1H J 28 | 69 69 dd 1H J 27 86 | 38 37 m 6H | 34 33 ddd 2H J 35 62 113 | 33 32 ddd 2H J 35 62 113 | 28 27 ddd 2H J 35 62 113 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=O)Cl)on1
ir: 4 2 1 2 5 2 6 14 6 10 5 11 24 18 9 2 3 2 1 2 3 2 2 4 7 2 1 2 2 1 1 3 10 9 1 2 2 1 1 3 3 11 25 5 2 1 5 4 3 1 1 3 3 1 3 3 1 1 2 3 4 5 2 2 1 1 2 2 3 8 5 5 13 100 24 51 3 1 3 3 0 0 2 2 0 0 5 3 0 1 2 3 0 1 3 2 0 2 4 4 18 17 7 3 2 2 2 2 2 3 5 10 5 5 10 11 5 6 8 3 0 15 10 3 13 57 31 4 3 9 8 4 2 4 7 3 16 25 5 5 4 2 27 35 0 3 2 0 1 2 2 0 1 2 3 77 65 4 3 2 1 2 2 1 1 2 1 1 1 3 1 1 2 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 5 2 4 4 5 4 15 20 5 7 8 11 59 30 14 2 3 2 1 1 1 1 2 2 2 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 72 72 t 1H J 9 | 27 27 qd 2H J 8 70 | 13 12 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1CCCCCC1)Nc1cn(CCO)c2cccc(Cl)c12
ir: 2 5 11 4 4 3 6 4 1 3 3 2 1 5 3 4 5 3 4 11 3 2 2 2 0 1 2 1 2 2 3 10 3 3 3 5 3 6 5 1 3 2 3 2 6 8 23 42 65 5 14 21 19 14 8 3 5 1 2 2 5 1 1 4 9 23 17 32 11 1 2 2 2 4 6 8 2 1 2 1 7 23 19 4 3 6 5 15 3 6 34 23 9 7 7 4 5 6 2 2 2 3 3 5 8 3 4 10 19 10 10 13 21 7 7 4 1 3 5 5 10 23 5 9 4 3 3 2 2 1 1 1 4 3 2 2 3 35 16 9 3 2 3 2 2 15 56 10 1 3 1 17 7 0 0 2 7 0 19 100 11 2 1 1 1 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 2 3 2 4 2 6 9 4 7 5 2 4 2 4 7 11 16 9 11 34 34 15 12 21 5 10 7 26 6 4 3 2 1 1 1 3 3 1 1 2 2 4 19 22 5 11 2 2 2 2 3 2 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 76 75 t 1H J 9 | 75 74 dd 1H J 16 62 | 73 72 m 2H | 41 41 td 2H J 9 35 | 40 39 t 1H J 56 | 38 38 dt 2H J 35 56 | 25 24 d 2H J 81 | 19 18 m 1H | 17 15 m 2H | 15 13 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(C)CC=O)c1
ir: 10 7 0 8 12 10 1 6 10 4 0 7 9 4 2 8 10 5 7 12 11 5 2 8 9 3 2 8 9 3 4 16 13 5 3 9 8 1 3 9 7 1 4 9 8 8 20 18 11 2 11 11 6 2 6 12 8 8 9 11 5 1 7 12 12 4 9 14 8 4 8 21 26 4 12 12 7 3 8 9 7 3 10 8 4 3 8 9 12 10 9 8 5 4 9 7 5 8 17 12 3 6 12 14 13 16 14 7 1 5 11 6 0 5 10 5 2 8 15 9 6 12 13 6 2 7 12 6 7 11 17 7 3 7 9 4 2 7 8 10 13 23 9 4 5 10 9 8 28 22 29 5 11 13 19 12 13 10 7 1 6 10 6 2 5 9 5 1 5 10 5 0 5 9 5 1 5 9 4 1 6 9 4 1 6 8 4 1 6 8 3 2 7 8 3 2 7 7 3 3 7 7 2 3 8 7 2 3 8 6 2 3 8 6 1 4 8 6 1 4 9 5 1 4 9 5 1 5 9 5 1 5 9 4 1 5 9 4 1 6 8 4 1 6 8 3 2 6 8 3 2 7 7 3 2 7 7 2 3 7 7 2 3 8 7 2 3 8 7 5 7 11 7 2 6 12 8 2 5 12 9 2 10 19 18 3 31 100 98 25 9 7 5 4 6 7 5 3 6 8 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 3 4 7 6 2 4 7 5 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 5 7 4 2 5 7 4 2 6 7 4 3 6 7 4 3 6 7 3 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 4 7 5 2 4 7 5 2 4 7 5 2 5 8 5 2; 1HNMR: 96 95 td 1H J 18 66 | 72 72 t 1H J 75 | 72 71 ddd 1H J 12 20 81 | 71 70 m 2H | 31 29 tqd 1H J 19 73 81 | 29 28 ddd 1H J 65 79 165 | 26 25 ddd 1H J 64 78 163 | 23 23 d 2H J 9 | 13 13 d 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C#N)cc(N(C)C)n1
ir: 4 4 3 4 3 5 3 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 6 36 57 64 1 2 6 5 2 3 5 4 3 3 4 4 3 4 5 4 3 3 4 4 3 4 4 6 4 5 4 4 3 4 5 5 7 7 16 13 7 6 5 6 5 6 6 5 3 4 4 3 3 4 4 4 5 4 5 4 5 5 4 4 4 4 4 4 6 7 7 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 5 4 4 4 5 4 6 8 10 6 9 6 6 5 4 6 6 5 4 4 3 4 4 4 4 5 30 19 7 3 3 4 4 4 4 5 14 11 5 0 100 24 12 7 4 2 4 5 4 3 3 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 7 28 15 21 7 7 6 5 4 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3; 1HNMR: 71 71 d 1H J 25 | 69 69 d 1H J 20 | 31 31 s 5H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c3c(ccc2c1)N(C(=O)OC(C)(C)C)CC3CCl
ir: 8 16 11 38 17 100 25 13 12 14 22 81 11 11 26 14 8 12 17 7 6 11 21 6 8 16 12 6 5 7 5 5 12 9 5 5 5 5 6 6 6 19 6 6 6 24 8 5 6 5 5 9 13 16 50 11 18 31 39 14 6 8 15 18 6 5 5 6 23 15 6 5 5 8 5 10 5 4 7 18 7 8 6 6 4 5 5 13 5 5 5 5 5 5 11 13 8 7 9 9 17 5 29 11 5 23 13 19 18 15 7 36 5 8 9 14 17 20 41 17 20 18 15 12 43 18 17 13 8 20 28 26 25 11 6 5 6 4 5 7 7 5 19 39 9 8 7 18 70 69 22 0 77 8 7 29 7 8 7 31 6 5 5 4 5 5 5 4 7 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 6 6 8 6 5 6 5 7 8 6 4 12 14 11 13 81 15 24 47 91 19 11 9 7 6 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 84 84 dd 1H J 14 22 | 80 80 d 1H J 82 | 80 79 dd 1H J 15 82 | 78 78 dd 1H J 22 82 | 74 73 d 1H J 81 | 45 44 dd 1H J 32 118 | 42 41 dd 1H J 32 118 | 41 41 tt 1H J 24 33 | 41 40 dd 1H J 23 109 | 39 38 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCCN[C@@H]3CCOC3)c2n1
ir: 9 5 2 6 9 6 3 7 10 10 6 9 9 9 3 6 8 5 5 10 11 4 6 12 13 4 5 8 8 6 5 10 11 3 8 9 9 4 6 13 18 20 21 14 8 9 7 12 8 6 11 9 8 2 7 9 7 5 7 8 5 4 14 13 6 4 9 8 5 4 7 12 13 13 15 13 11 8 7 9 17 14 8 6 4 3 6 7 5 3 5 15 10 4 8 6 4 5 7 10 5 8 18 14 14 27 48 51 86 23 16 20 19 24 12 22 20 19 22 25 30 18 17 16 13 16 9 12 7 8 6 6 8 13 12 6 4 6 7 3 4 5 6 6 15 14 8 4 4 5 5 4 19 24 5 4 4 5 4 4 4 4 14 19 5 4 5 46 38 11 4 0 4 7 4 1 4 6 4 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 5 7 6 5 6 13 9 12 11 17 9 11 15 16 12 22 25 100 96 39 10 13 15 10 5 8 7 4 5 5 6 5 5 6 6 9 31 27 5 7 14 18 8 28 95 16 5 4 5 5 3 3 5 5 4 5 6 6 4 4 6 5 3 4 5 4 3 4 5 4 3 4 5 4 2 4 5 4 2 4 5 4 2 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 2; 1HNMR: 70 70 s 2H | 46 45 h 1H J 65 | 42 42 t 2H J 73 | 40 39 s 2H | 38 37 ddd 1H J 26 44 116 | 37 36 m 2H | 35 34 m 1H | 33 32 m 1H | 28 27 dq 1H J 48 135 | 27 26 m 2H | 21 21 ddt 1H J 31 43 137 | 20 18 m 4H | 17 14 m 8H | 14 13 dq 1H J 71 127 | 9 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](n1cnc2cc(N)c(F)cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
ir: 12 14 7 11 7 4 3 4 5 14 20 40 10 3 2 4 4 1 1 3 3 1 2 2 1 2 3 1 1 4 5 18 21 8 4 2 2 7 9 5 3 3 3 4 4 2 4 3 4 2 1 0 2 8 14 3 2 2 2 5 1 1 5 10 11 8 12 40 17 10 2 1 3 7 9 9 2 1 3 5 2 6 4 2 4 8 4 6 20 23 11 6 6 4 6 7 3 2 7 8 27 55 2 3 6 2 3 2 3 1 1 1 3 2 1 2 4 6 16 6 4 4 7 5 9 6 1 1 2 16 15 3 4 3 2 2 1 1 5 1 1 5 6 26 4 3 1 1 1 2 27 3 9 4 2 3 7 34 12 3 4 3 14 0 1 1 1 0 2 18 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 1 0 0 1 0 0 0 1 0 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 1 1 1 1 3 3 3 4 3 4 7 19 19 27 32 25 32 100 25 4 7 5 15 21 4 2 1 1 1 1 1 1 1 2 25 1 1 1 1 1 0 0 1 1 1 19 39 4 5 2 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 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 18 | 82 81 dt 1H J 8 17 | 80 79 d 1H J 121 | 78 78 d 1H J 16 | 73 73 dt 1H J 45 77 | 70 70 d 1H J 43 | 69 68 m 2H | 51 50 s 1H | 50 49 m 2H | 48 47 dd 1H J 8 148 | 44 43 d 2H J 35 | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncccc1Cl
ir: 6 5 3 2 2 1 2 2 1 4 5 4 4 6 14 2 2 1 2 1 1 1 1 1 1 1 1 1 1 8 1 1 1 2 1 3 2 8 25 9 14 1 2 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 3 37 5 2 1 1 1 1 1 1 2 1 1 3 2 1 0 3 57 9 3 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 1 1 1 2 4 73 7 1 2 8 7 1 2 2 2 2 1 1 1 2 1 2 5 7 100 8 5 0 2 2 1 0 2 2 5 9 2 2 1 7 10 2 2 1 1 1 1 1 1 1 3 23 23 15 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 1 1 1 2 1 2 2 7 9 6 10 8 9 3 13 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 dd 1H J 21 45 | 78 78 dd 1H J 21 80 | 74 74 dd 1H J 44 81 | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nccc2cc3c(cc12)OCO3
ir: 13 10 6 10 14 10 6 10 13 9 8 12 13 9 7 12 20 12 8 12 25 30 49 13 14 14 10 11 12 12 37 41 12 7 8 12 11 7 8 12 11 8 10 13 11 7 9 12 12 17 26 38 13 6 9 14 10 5 10 15 11 6 11 18 14 11 46 100 41 33 17 13 10 10 64 60 23 28 20 11 9 9 11 11 8 8 11 11 11 9 12 11 8 10 20 15 8 9 11 10 9 10 19 20 9 11 16 10 8 18 38 24 7 10 13 21 11 17 19 15 11 15 41 67 10 10 12 9 7 10 12 9 7 11 14 35 21 22 18 10 10 11 12 14 28 25 13 9 9 12 12 8 9 11 16 20 35 71 10 9 9 11 11 8 9 12 10 27 10 14 9 6 9 12 9 7 10 12 9 7 10 12 9 7 10 11 9 7 10 11 8 8 10 11 8 8 11 11 8 8 11 11 8 8 11 10 8 8 11 10 7 9 11 10 7 9 12 10 7 9 12 10 7 9 12 10 7 9 12 9 7 10 12 9 7 10 12 9 7 10 11 9 7 10 11 9 8 10 11 8 8 10 11 8 8 11 11 8 8 11 11 8 8 11 10 8 9 11 10 7 9 12 10 8 10 13 10 7 10 13 10 6 9 13 13 0 30 92 97 25 11 11 10 8 10 11 9 8 10 11 9 8 10 11 9 8 10 11 9 8 10 10 9 8 10 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 9 7 9 11 9 7 9 11 9 8 10 11 9 8 10 11 9 8 10 11 9 8 10 11 9 8 10 10 9 8 10 10 8 8 10 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 10 8 9 11 9 8; 1HNMR: 83 83 d 1H J 45 | 78 78 s 1H | 75 75 dd 1H J 21 45 | 73 73 d 1H J 24 | 60 60 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccccc1Cn1ccc2cc(Br)ccc21
ir: 7 16 2 4 5 3 1 3 4 2 2 3 5 3 2 4 5 3 2 3 4 3 3 3 4 3 3 4 5 6 18 30 7 4 6 11 14 6 6 8 16 45 43 24 15 5 3 4 5 1 4 6 7 29 17 8 3 1 3 4 3 2 3 4 3 2 4 14 9 14 6 5 4 2 8 11 4 2 3 4 2 4 7 24 4 3 4 4 7 19 11 7 6 6 9 6 4 4 4 5 4 6 6 11 7 18 32 6 2 2 4 3 2 5 6 4 0 23 4 4 4 4 4 3 2 3 5 4 3 4 4 3 2 3 4 9 18 25 24 9 20 13 16 6 3 7 4 4 11 13 9 20 4 5 12 6 5 3 5 3 3 5 6 1 2 3 3 1 2 4 2 1 2 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 5 3 2 4 4 4 3 4 5 7 21 91 100 64 24 28 49 18 6 4 4 3 2 4 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 77 76 t 1H J 22 | 75 74 d 1H J 82 | 74 73 m 4H | 72 71 ddd 1H J 15 79 90 | 71 70 ddd 1H J 15 78 102 | 66 65 dd 1H J 22 50 | 54 53 dt 2H J 8 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)CCCCCCCCCC(=O)O
ir: 2 2 2 3 3 4 5 6 5 6 13 13 19 8 15 10 9 10 10 38 70 100 33 48 13 12 7 5 2 4 4 2 3 4 4 3 4 6 7 6 5 5 5 5 4 5 6 9 4 4 4 2 3 4 2 2 2 3 3 2 3 3 2 2 3 2 4 4 3 3 2 3 3 3 4 5 18 14 62 26 8 5 4 4 5 10 24 10 4 4 3 4 3 3 3 5 5 7 12 7 6 4 7 3 9 7 5 7 5 6 7 9 9 9 8 6 7 12 8 9 9 10 8 4 4 7 4 3 3 3 4 3 2 4 6 4 3 5 8 4 5 16 51 90 33 17 11 10 6 0 1 4 3 0 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 3 3 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 2 5 7 9 6 5 5 4 5 8 7 10 13 30 8 5 2 2 4 2 2 2 3 3 7 14 54 46 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 100 99 s 1H | 42 41 h 1H J 69 | 23 23 t 2H J 90 | 19 18 dtd 1H J 67 85 143 | 17 16 m 6H | 15 14 m 1H | 15 12 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(CCCC2OCCCO2)cc1
ir: 2 6 7 3 1 4 7 3 6 12 3 3 2 8 2 16 15 6 3 6 6 27 44 4 4 3 3 1 2 6 5 1 2 4 3 1 3 5 2 3 4 4 3 0 2 5 8 1 5 2 5 2 11 13 73 67 12 9 9 4 3 3 3 2 4 5 4 15 8 28 22 10 12 16 9 25 26 12 10 7 19 28 8 100 58 60 63 69 25 30 6 7 10 17 43 8 7 5 2 3 2 2 1 1 5 3 2 3 3 2 3 13 21 10 9 3 6 4 14 6 13 15 9 17 8 32 19 15 8 2 2 2 3 1 2 3 2 1 0 2 1 0 0 2 2 2 3 18 23 8 6 5 2 5 2 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 0 1 3 2 1 2 5 6 6 7 5 4 4 2 5 8 8 22 16 18 53 48 12 6 9 5 6 8 19 17 7 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 dt 2H J 9 82 | 72 71 dt 2H J 9 82 | 47 46 m 3H | 39 38 ddd 2H J 41 68 110 | 37 37 ddd 2H J 40 68 110 | 28 27 t 1H J 57 | 27 26 tt 2H J 10 81 | 20 19 dtt 1H J 41 68 137 | 19 18 tdd 2H J 10 37 88 | 17 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ncccc2O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1
ir: 1 1 1 0 0 1 1 1 5 4 1 2 2 1 1 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 5 1 0 1 0 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 4 2 4 5 18 12 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 2 4 100 12 2 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: 84 83 dd 1H J 21 41 | 76 75 m 2H | 72 72 dd 1H J 42 81 | 71 71 dd 1H J 21 81 | 69 69 m 2H | 52 52 dd 1H J 24 73 | 41 40 d 1H J 59 | 40 39 m 2H | 39 38 dtt 1H J 26 55 64 | 38 38 s 2H | 38 37 m 1H | 33 32 d 1H J 60 | 32 32 dd 1H J 28 134 | 29 28 dd 1H J 55 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCC)COC(=O)CCC
ir: 2 16 16 17 16 10 8 10 4 4 2 5 4 10 5 1 1 2 2 6 6 4 3 4 4 3 9 14 11 8 2 1 1 0 1 1 1 1 2 4 8 4 7 11 1 4 4 2 1 2 1 3 5 7 4 4 6 3 2 2 1 0 1 1 1 1 2 3 25 24 8 2 3 2 3 2 1 0 1 1 0 0 2 5 12 5 2 2 2 3 14 20 20 11 4 6 5 17 15 17 34 33 10 9 5 3 3 8 9 16 44 73 19 22 6 9 8 10 27 39 42 51 28 11 16 15 14 10 5 3 2 3 10 8 15 6 7 2 3 3 6 7 11 24 100 73 9 10 3 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 3 5 2 6 8 8 11 13 9 7 3 3 10 23 21 44 19 11 7 2 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 41 41 s 7H | 23 23 t 9H J 71 | 17 16 m 8H | 9 9 t 12H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Oc2ccnc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)sc23)c(F)c1
ir: 30 21 22 30 39 18 21 19 11 8 8 10 8 8 13 8 13 9 14 7 2 6 6 8 4 4 7 4 5 7 8 9 26 15 14 11 16 34 30 11 12 11 7 4 9 13 9 4 22 26 17 0 6 10 16 19 18 23 4 5 11 5 8 3 9 12 14 17 13 6 8 4 10 16 14 15 8 5 15 21 13 7 6 5 5 3 5 6 9 9 12 5 5 5 8 10 6 4 3 6 6 4 3 3 3 3 2 5 9 4 16 12 10 9 14 7 10 12 26 10 15 19 16 18 14 5 4 7 7 4 5 5 7 10 21 12 9 3 3 5 5 4 5 6 16 26 22 12 10 18 43 14 17 19 12 100 73 37 34 6 4 6 33 69 8 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 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 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 5 4 2 4 5 4 4 5 6 5 2 11 15 48 71 83 32 23 14 4 4 4 4 3 3 3 3 3 3 3 2 5 14 8 4 4 3 2 2 3 3 3 6 7 86 71 8 5 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 85 85 d 1H J 44 | 80 79 m 2H | 79 78 m 2H | 71 70 s 1H | 69 68 dd 1H J 47 82 | 68 67 m 2H | 66 66 dd 1H J 22 82 | 44 44 s 2H | 37 36 dd 4H J 44 53 | 35 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1csc2cc(OCc3ccc(Cl)cc3Cl)ccc12
ir: 0 0 2 1 3 1 1 1 1 2 1 3 1 2 3 1 5 4 5 2 18 29 13 17 7 4 1 3 2 1 1 1 1 0 0 1 0 0 1 1 1 1 0 1 1 0 1 2 1 0 1 2 2 8 6 4 5 2 2 2 1 0 0 0 1 1 4 8 5 1 1 0 1 0 1 1 5 6 6 5 8 3 3 4 2 1 3 4 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 3 1 3 1 2 1 1 1 2 1 0 1 0 0 0 0 0 0 0 0 2 2 2 2 4 5 3 7 2 3 1 1 4 7 1 0 1 0 0 0 1 1 1 1 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 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 1 0 0 0 0 1 1 1 1 2 4 5 6 7 10 5 1 1 3 2 2 16 100 39 8 1 0 2 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 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; 1HNMR: 78 77 d 1H J 78 | 75 74 dt 1H J 9 83 | 74 74 m 2H | 73 72 dd 1H J 21 83 | 71 71 s 1H | 68 68 dd 1H J 22 79 | 52 52 d 2H J 10 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc5cn[nH]c5c4)cnc32)cc1
ir: 0 20 5 11 6 17 34 10 21 10 5 4 8 16 38 7 7 18 1 4 4 2 2 2 6 22 11 6 2 1 2 8 10 13 3 4 3 1 1 2 2 2 1 1 4 4 4 4 1 5 15 5 3 10 2 8 5 1 5 11 2 2 3 3 11 9 4 6 10 8 47 12 7 3 13 5 3 2 4 3 3 40 13 6 17 72 84 11 4 100 13 4 11 8 52 14 8 3 3 2 2 13 3 1 1 5 6 2 0 3 4 1 2 4 3 3 1 2 9 8 7 5 6 3 8 20 9 4 2 2 3 7 0 1 1 0 0 1 1 0 0 22 1 1 1 2 2 5 5 12 4 9 6 3 9 6 1 3 2 0 1 21 34 2 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 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 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 1 1 1 1 4 2 1 1 1 1 1 1 2 2 2 5 14 5 6 6 19 23 65 44 7 7 5 2 2 3 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 4 11 13 7 4 2 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 94 93 s 1H | 84 84 s 1H | 84 83 d 1H J 23 | 83 83 d 1H J 20 | 82 82 dd 1H J 19 93 | 81 81 dd 1H J 21 93 | 78 77 m 2H | 72 72 m 2H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1[C@H](n2ccc(COS(C)(=O)=O)cc2=O)c2cc(C#N)ccc2OC1(C)C
ir: 5 8 10 6 18 14 7 3 0 3 5 4 2 2 6 2 1 3 3 14 2 12 0 2 3 5 1 3 2 1 2 4 1 15 9 2 5 10 6 5 5 31 23 4 2 1 2 23 6 5 7 4 8 76 6 49 5 17 6 2 2 5 3 2 7 14 27 59 26 8 16 5 18 22 15 12 4 2 3 2 1 5 6 3 3 3 8 16 21 13 6 9 17 18 12 16 11 13 8 29 55 56 13 10 3 2 2 7 5 3 2 3 2 3 2 17 6 16 22 7 14 24 29 19 14 6 11 3 4 5 10 3 1 4 2 3 1 2 1 2 5 12 5 15 100 7 5 2 13 14 8 1 2 9 5 11 11 3 1 2 6 1 5 10 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 2 11 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 1 0 0 1 1 1 1 1 1 1 1 2 2 14 7 2 3 1 2 2 3 3 3 10 6 12 24 74 30 12 35 61 45 57 24 7 2 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 3H | 71 71 d 1H J 78 | 68 68 dq 1H J 10 79 | 66 65 q 1H J 14 | 56 55 m 1H | 52 52 ddq 1H J 16 29 86 | 46 46 t 2H J 11 | 32 32 s 2H | 21 20 s 2H | 13 13 d 3H J 16 | 13 12 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1Br)-c1c(c(C(=O)N[C@H]3CC[C@H](O)C3)nn1-c1ccsc1)CO2
ir: 8 12 12 9 11 8 16 16 16 8 3 8 13 6 3 6 5 5 6 8 10 25 38 100 16 9 7 10 6 5 6 5 5 4 4 4 6 7 5 5 4 10 6 6 11 24 13 28 11 5 7 6 16 4 6 11 10 21 7 11 7 11 5 19 10 8 26 42 15 13 4 40 13 13 24 7 6 4 9 10 9 7 9 14 40 59 56 92 23 12 24 16 15 15 13 5 5 3 5 4 4 6 8 4 11 8 14 10 5 12 11 11 9 12 11 6 7 12 23 10 5 10 55 18 13 10 15 38 8 8 9 19 77 7 6 71 6 7 8 45 4 10 55 6 26 7 14 8 14 71 7 2 4 38 51 5 4 9 2 1 1 4 2 8 3 3 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 2 2 1 1 3 3 1 2 3 3 1 2 3 3 2 3 5 5 5 6 8 10 12 9 6 9 14 13 11 28 20 34 28 36 18 58 9 12 16 19 69 41 14 19 16 6 7 5 6 8 10 12 9 9 7 11 21 34 21 43 12 7 7 7 6 5 4 5 4 2 3 3 3 1 2 4 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 77 s 1H | 75 75 t 1H J 17 | 74 74 dd 1H J 16 55 | 72 72 dd 1H J 17 54 | 68 67 m 2H | 53 52 q 2H J 153 | 45 44 dtdd 1H J 43 52 60 69 | 42 41 m 1H | 39 39 s 2H | 25 25 d 1H J 49 | 21 20 m 1H | 20 18 m 4H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCOC(c1ccccc1F)C1CCCN(C(=O)OC(C)(C)C)C1
ir: 1 2 4 3 2 7 2 2 3 3 10 9 4 3 3 1 1 1 1 0 0 1 6 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 2 1 3 6 9 1 1 0 1 1 0 4 1 1 1 1 4 4 2 1 0 1 3 2 1 5 3 1 10 5 2 2 1 2 0 1 6 1 1 5 5 1 1 1 2 0 0 0 1 1 1 4 4 1 1 0 2 2 1 0 1 1 1 2 2 2 4 3 2 1 1 2 6 10 10 5 3 2 5 12 5 10 3 6 7 7 2 4 3 2 3 4 4 1 1 1 2 3 3 3 3 5 5 2 1 1 0 0 1 9 3 6 100 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 3 1 2 2 1 1 4 4 5 11 34 2 5 24 5 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 1H | 74 73 m 1H | 73 72 m 2H | 43 42 m 1H | 37 36 m 2H | 36 33 m 9H | 26 25 qt 1H J 53 70 | 20 19 m 1H | 19 19 m 1H | 19 18 m 3H | 18 17 m 1H | 17 16 m 1H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC/C(C)=C(/NC=O)C(=O)OCC
ir: 11 6 11 4 5 17 15 7 12 5 5 4 11 14 11 12 4 2 1 1 2 2 1 2 2 1 5 10 7 6 6 5 5 5 2 6 8 10 10 12 22 8 12 8 9 2 7 5 4 3 2 4 2 2 2 3 2 0 1 3 2 4 3 3 2 1 4 7 14 9 22 41 15 7 5 21 16 14 3 3 1 2 1 1 1 1 2 2 1 1 4 2 5 5 5 2 1 4 6 2 3 12 8 7 5 100 7 8 4 4 5 3 4 14 7 2 3 5 15 24 12 33 23 20 19 17 10 8 5 9 6 8 4 9 20 6 3 13 38 22 15 8 9 12 22 29 21 4 4 3 3 2 2 7 11 12 73 22 9 3 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 5 6 3 3 5 6 7 2 3 2 3 1 6 8 26 12 3 4 2 1 1 2 1 0 1 2 2 1 1 1 1 2 1 3 4 6 8 34 54 49 34 31 33 23 20 7 3 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 89 89 d 1H J 66 | 85 85 d 1H J 64 | 42 41 q 2H J 71 | 23 23 t 2H J 75 | 19 19 s 2H | 15 14 tt 2H J 68 80 | 14 13 m 4H | 9 9 m 3H | 8 7 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C#N)CO
ir: 3 6 4 2 8 11 7 3 3 2 2 2 2 2 2 4 3 3 2 2 2 8 4 7 11 12 8 13 8 17 13 13 10 27 17 16 39 17 30 51 9 6 15 6 3 3 9 11 5 3 3 3 3 4 2 11 34 20 7 3 4 5 4 2 2 2 6 1 1 0 4 11 11 10 12 3 2 2 1 1 1 2 1 1 3 2 1 2 2 3 4 2 3 7 8 11 16 23 18 65 25 23 16 8 4 7 9 5 3 3 10 3 1 2 2 4 4 4 4 14 3 5 5 3 2 2 3 2 2 4 2 2 2 1 1 1 1 1 1 2 1 5 8 69 61 10 33 33 7 7 24 7 2 2 5 25 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 1 1 2 2 4 7 4 27 8 11 29 24 13 31 100 30 24 6 7 2 3 2 1 1 2 1 1 1 1 1 1 1 2 1 25 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 16 | 83 82 t 1H J 20 | 80 79 d 1H J 87 | 73 73 s 1H | 73 72 dd 1H J 24 86 | 71 70 t 1H J 23 | 58 57 q 1H J 16 | 41 40 dd 1H J 60 110 | 40 40 t 1H J 60 | 38 38 dd 1H J 61 109 | 22 22 d 3H J 14 | 18 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3
ir: 3 2 2 4 4 2 1 3 3 2 3 3 8 4 3 3 4 3 2 2 3 2 5 4 16 2 2 2 4 2 2 5 5 2 2 3 2 3 5 6 100 6 5 6 3 2 4 4 3 1 2 4 2 1 2 3 2 2 3 3 3 1 3 7 4 5 4 4 3 3 4 5 5 22 5 4 2 3 5 6 2 2 3 3 3 4 4 3 3 3 4 4 4 5 4 2 2 2 4 3 2 2 3 3 1 2 3 2 1 2 2 23 1 3 5 3 1 3 4 5 2 4 5 3 6 7 6 3 1 3 3 1 1 3 5 4 17 4 4 1 0 6 62 30 1 4 3 0 5 11 6 32 21 14 0 4 3 1 1 2 3 2 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 3 3 2 2 2 2 2 3 7 5 4 5 9 10 2 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 87 87 m 2H | 81 81 m 2H | 43 43 t 2H J 75 | 31 30 m 5H | 29 28 m 2H | 25 25 s 5H | 19 18 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1CNC[C@H]1c1ccccc1
ir: 0 1 2 1 2 3 4 3 1 6 18 7 7 4 3 2 5 5 8 6 4 4 6 1 2 2 2 0 0 3 6 8 4 2 9 15 7 7 18 8 12 40 22 9 18 100 83 18 3 5 4 6 7 2 20 40 8 1 5 6 2 1 5 4 4 6 7 11 8 8 2 3 2 2 2 2 3 2 3 20 2 1 1 2 1 1 1 2 5 14 9 8 7 2 2 3 8 7 2 4 1 1 2 2 5 9 3 3 3 5 13 8 5 18 40 24 1 4 8 17 8 6 8 6 4 2 11 5 2 3 2 3 4 7 3 9 3 3 15 3 1 4 14 24 8 9 27 41 9 20 20 11 17 10 3 8 12 4 1 2 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 1 0 1 1 1 1 1 2 1 3 5 3 5 3 12 7 11 61 25 10 10 6 7 3 3 3 1 1 1 0 1 2 2 1 4 7 44 54 9 8 7 48 27 11 15 9 1 1 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 83 83 d 1H J 16 | 82 81 d 1H J 80 | 79 79 dd 1H J 16 33 | 75 74 dd 1H J 15 79 | 73 72 m 7H | 39 38 s 2H | 37 37 p 1H J 40 | 33 33 m 3H | 31 30 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(N)C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
ir: 5 4 6 6 7 4 7 5 5 6 6 4 5 17 4 5 5 4 4 4 4 4 5 5 5 4 6 5 5 4 5 6 7 7 14 9 10 23 24 7 7 5 5 6 7 6 7 6 6 6 17 10 16 16 17 31 48 22 8 4 7 7 24 16 66 0 22 15 8 5 6 5 8 20 16 15 28 12 6 88 80 13 16 30 25 16 9 10 9 5 7 10 9 5 5 5 4 15 13 10 8 13 10 9 7 10 8 9 12 24 31 7 5 6 7 7 7 7 8 12 11 13 25 17 9 18 17 11 15 22 26 24 39 62 13 24 11 21 5 6 5 4 4 4 5 5 7 12 37 12 6 6 13 6 5 4 4 5 4 4 6 5 4 4 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 6 5 5 6 5 5 6 8 7 9 10 16 30 54 12 6 7 6 7 5 4 4 4 6 7 12 9 25 62 22 10 11 11 7 9 81 100 10 6 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 74 73 m 2H | 72 72 ddt 1H J 9 21 82 | 42 41 d 2H J 73 | 36 36 t 2H J 9 | 35 34 m 5H | 27 26 t 4H J 49 | 21 20 dq 1H J 66 132 | 10 9 dd 3H J 15 66 | 9 9 dd 3H J 15 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1cc2cc(C(F)(F)F)ccc2s1)C1CCCCC1
ir: 3 2 1 1 2 8 2 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 2 1 1 1 1 1 1 1 2 2 8 1 2 2 4 19 2 2 1 1 2 1 1 1 2 1 1 1 3 4 2 2 1 2 1 1 1 1 1 1 2 2 2 2 2 5 10 44 5 3 4 2 2 2 3 2 1 7 12 11 6 5 1 2 2 1 1 2 2 4 4 6 7 5 3 8 4 1 1 2 1 1 2 4 7 5 2 5 3 1 2 2 1 1 1 1 1 1 1 2 0 7 1 1 1 1 1 1 1 1 7 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 2 2 3 2 2 4 4 6 5 6 4 11 11 6 8 6 3 5 7 7 100 33 7 6 3 1 2 2 3 2 2 2 2 2 6 6 5 3 2 2 2 2 2 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 t 1H J 22 | 81 80 d 1H J 104 | 77 76 m 1H | 74 74 d 1H J 21 | 45 44 m 1H | 38 38 d 1H J 47 | 22 21 dp 1H J 56 67 | 17 15 m 4H | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C1(C2CCNCC2)CCNCC1
ir: 2 4 2 2 4 2 1 2 2 5 5 4 1 1 3 2 1 1 1 1 1 1 1 2 1 1 1 0 0 1 1 0 0 1 3 1 1 1 3 4 7 1 2 5 1 1 1 1 2 3 2 18 7 32 7 10 9 4 2 2 1 2 1 1 9 2 2 2 3 4 10 5 4 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 5 9 34 21 18 12 7 11 2 8 3 9 2 5 5 3 1 2 4 3 7 31 10 5 4 3 2 2 2 3 2 1 1 1 1 1 3 5 16 4 1 1 1 1 2 1 1 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 2 3 2 1 2 2 3 4 15 4 3 1 1 1 1 0 1 1 1 0 1 1 1 0 2 2 2 2 8 8 12 100 11 0 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 41 40 p 1H J 39 | 38 38 p 1H J 31 | 30 29 m 4H | 28 27 m 4H | 21 20 ddd 2H J 33 60 139 | 20 19 p 1H J 64 | 18 17 m 4H | 15 14 m 2H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1OC)OC(C)(C)CC2=O
ir: 3 2 1 2 2 3 2 2 4 2 5 4 2 1 1 2 4 1 2 3 3 4 3 5 13 8 4 12 33 18 9 3 3 2 3 5 3 1 1 1 1 1 4 25 52 6 3 2 3 6 8 61 63 37 56 8 8 6 5 21 8 12 11 3 5 12 11 2 2 1 2 13 6 6 7 1 3 6 5 4 3 9 6 3 1 1 1 2 6 4 2 1 1 1 1 1 1 1 2 2 4 9 7 3 5 3 1 2 2 9 4 2 11 4 1 1 4 4 20 9 32 71 31 7 11 1 0 11 11 36 40 8 6 3 2 0 1 1 4 34 54 9 3 1 2 11 40 1 1 4 5 1 2 3 7 29 0 2 1 7 94 15 4 2 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 10 5 2 2 4 6 5 5 3 3 3 1 4 15 69 27 18 35 100 18 2 0 2 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 90 | 68 67 d 1H J 90 | 39 38 d 7H J 90 | 28 28 s 2H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Nc1ccc(Cl)cc1C1(O)CCN(C/C=C/c2ccc(Cl)cc2)CC1
ir: 3 3 6 3 3 3 1 3 6 5 3 10 3 3 3 3 2 2 2 2 8 3 3 5 2 2 2 1 2 1 1 2 2 1 2 2 3 3 8 2 3 3 6 8 14 19 17 9 6 6 6 4 13 18 54 18 6 4 3 5 4 11 9 14 4 5 4 7 6 8 4 3 4 6 14 25 33 100 13 6 5 4 4 4 5 12 12 12 10 5 12 2 3 3 7 17 18 5 4 13 20 8 6 6 6 4 4 3 3 2 0 5 2 15 20 5 6 4 4 6 4 5 6 13 6 3 6 5 3 7 7 11 7 5 5 4 3 3 12 4 2 2 2 3 5 38 6 10 11 60 7 5 17 5 11 25 11 6 3 2 1 2 3 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 2 1 1 2 2 2 2 3 2 2 2 3 3 4 3 3 3 4 6 7 16 26 26 28 43 20 9 2 4 17 5 58 14 3 3 2 2 2 2 3 4 2 3 3 4 9 20 30 46 24 10 3 2 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 75 75 d 1H J 75 | 74 73 m 7H | 66 65 ddd 1H J 11 19 147 | 61 60 dt 1H J 44 145 | 34 34 dd 2H J 13 44 | 33 32 s 1H | 31 30 ddd 2H J 38 66 123 | 29 28 ddd 2H J 38 66 123 | 24 23 ddd 2H J 38 66 132 | 21 20 ddd 2H J 38 66 132 | 12 12 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C1CCC(CO)CC1
ir: 5 8 4 5 5 4 4 2 4 1 2 3 3 3 3 1 1 2 2 1 1 2 3 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 1 2 1 2 2 1 1 2 4 2 3 3 5 4 5 6 4 6 2 10 7 7 6 3 3 2 2 2 5 3 5 4 11 10 10 34 95 22 39 28 11 4 14 12 28 32 59 56 53 13 29 13 2 12 13 11 11 16 14 13 12 10 20 13 9 6 6 6 2 11 13 10 12 8 7 5 3 3 4 4 2 3 4 2 2 2 3 3 8 9 3 1 2 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 4 3 5 1 3 7 6 2 9 5 7 10 4 7 4 9 12 11 11 3 4 2 6 6 10 9 55 90 100 12 14 2 3 3 2 2 2 2 2 2 2 3 2 1 3 2 3 3 5 3 1 1 2 2 2 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 35 35 dd 2H J 46 57 | 25 24 t 1H J 57 | 19 18 s 1H | 18 16 m 5H | 15 13 m 5H | 12 11 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C)c(C=O)c2c(c1C)OCC2
ir: 4 5 4 4 6 2 4 4 6 2 1 3 3 2 1 3 4 2 0 3 4 3 7 19 9 2 5 3 14 18 9 5 3 3 4 4 10 12 4 2 2 1 1 3 2 1 2 2 27 4 5 4 6 1 8 24 10 3 10 12 8 2 8 5 5 8 19 8 6 6 7 5 6 5 5 5 2 2 4 4 3 8 13 5 2 2 3 3 1 1 3 2 1 1 3 3 1 1 5 2 3 2 3 6 2 5 12 54 100 12 14 4 4 7 14 11 6 7 4 3 4 6 6 5 9 8 7 8 7 7 6 2 4 4 5 5 12 4 4 4 2 3 3 3 1 4 4 1 4 6 24 26 3 2 2 3 2 3 6 21 22 10 3 0 2 3 2 0 1 3 1 0 2 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 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 3 2 1 2 4 4 3 14 5 3 5 4 5 6 6 3 5 5 7 10 20 50 11 7 4 3 1 3 3 2 1 2 3 1 1 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 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 45 45 t 3H J 39 | 32 32 t 3H J 39 | 23 23 s 3H | 23 22 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4F)c3)cnnc21
ir: 24 10 8 12 19 22 20 23 21 13 10 28 7 5 5 9 6 10 10 23 25 14 7 4 11 12 12 9 8 2 3 6 3 1 4 21 18 13 9 6 4 0 2 6 3 2 4 6 9 18 22 12 9 35 44 32 50 25 8 10 5 0 3 6 13 18 61 52 40 14 6 6 4 1 3 5 4 1 6 7 4 5 35 28 55 85 97 42 21 30 17 22 17 7 10 9 3 4 8 34 33 14 21 18 34 36 13 14 6 14 8 3 3 5 11 4 6 11 18 28 25 23 16 29 27 15 13 4 2 4 4 2 2 2 4 8 5 12 7 7 9 3 6 9 4 11 5 47 100 23 8 8 4 18 20 4 3 5 2 0 3 6 2 3 3 3 2 0 2 3 2 1 2 3 1 1 2 3 1 0 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 1 3 1 0 1 3 1 0 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 3 1 2 4 5 7 7 8 4 3 2 3 2 4 4 2 8 9 14 21 45 38 66 51 64 5 10 13 3 0 3 5 2 1 2 3 1 2 3 3 2 1 2 3 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 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 2 0 1 3 2 0 1 3 1 0; 1HNMR: 95 94 s 1H | 84 83 dt 1H J 22 41 | 82 81 t 1H J 9 | 79 78 ddd 1H J 20 49 86 | 78 78 dd 1H J 21 86 | 77 77 dd 1H J 21 122 | 76 75 ddd 1H J 24 40 82 | 75 74 dd 1H J 82 101 | 44 43 qd 2H J 9 60 | 32 32 s 2H | 15 14 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(C(=O)O)cc(-c3nncn3C)c2)nc1
ir: 2 2 1 9 7 1 1 3 2 1 3 3 7 2 2 2 3 7 2 7 9 100 8 1 1 2 2 3 1 2 2 1 9 1 1 10 2 1 1 1 1 1 1 1 1 1 3 0 1 1 1 0 5 3 1 5 1 0 1 1 1 1 1 1 1 2 2 3 3 9 3 2 2 1 1 2 3 17 16 4 1 1 1 1 1 3 6 1 2 3 1 1 2 2 4 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 11 4 2 8 3 2 2 4 4 5 3 6 3 1 5 2 1 1 2 25 2 1 1 1 5 3 2 1 1 3 18 14 3 2 4 4 2 4 1 2 1 1 1 1 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10 8 7 5 2 1 1 2 1 0 7 17 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dt 2H J 21 60 | 85 84 dd 2H J 14 64 | 83 83 t 1H J 22 | 77 77 d 1H J 82 | 76 75 m 1H | 39 39 s 3H | 23 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COC(c2ccc(OCCCC3CCN(Cc4ccccc4)CC3)cc2)=N1
ir: 5 2 3 4 3 9 5 3 3 3 8 5 3 11 4 4 2 1 1 1 1 2 3 6 2 1 1 2 1 1 3 6 16 15 6 3 2 1 5 10 57 57 7 1 3 4 2 1 1 2 3 2 1 6 9 15 38 3 3 2 2 2 3 6 4 7 5 11 13 9 5 1 2 3 2 3 7 4 5 1 3 4 14 16 4 4 2 3 4 8 1 2 2 1 3 1 4 6 5 5 5 3 3 2 7 4 3 2 3 3 3 1 3 1 3 11 9 6 6 6 4 7 2 3 5 8 10 23 20 8 3 1 2 4 5 4 3 2 2 5 27 18 22 10 4 1 3 3 1 8 15 44 10 3 2 2 1 0 0 1 1 0 6 8 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 2 2 2 3 3 2 1 2 3 2 4 4 16 13 15 62 100 25 12 3 1 2 3 2 1 1 2 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 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: 78 77 m 2H | 73 72 m 5H | 69 69 m 2H | 41 41 s 2H | 40 39 t 2H J 63 | 35 35 d 2H J 8 | 28 26 dddd 4H J 53 80 115 393 | 19 18 ddt 2H J 54 81 123 | 17 16 ddt 2H J 63 86 93 | 16 15 m 3H | 15 14 m 2H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(N(C[C@H]2CNC[C@@H]2Cc2ccccc2)c2ccccc2)cc1
ir: 2 1 2 1 2 2 1 3 1 3 5 5 1 4 3 6 6 2 3 2 2 2 3 1 1 2 5 3 6 3 11 14 5 8 6 4 2 5 8 10 100 4 31 15 17 2 6 5 3 4 3 6 5 7 11 32 16 0 3 4 7 16 7 9 6 4 3 8 10 13 4 2 3 12 6 9 4 8 6 6 8 1 2 2 2 2 5 11 4 8 4 2 2 2 1 2 2 5 5 4 2 3 3 4 6 6 8 13 5 20 7 41 30 8 17 11 7 8 5 3 4 4 2 2 3 3 3 2 2 2 1 2 3 3 4 15 3 2 2 2 1 2 5 12 22 10 7 6 38 16 1 7 30 12 2 2 2 1 1 1 3 1 2 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 4 3 4 3 9 8 5 43 70 43 30 7 3 3 3 2 3 3 3 1 1 2 2 3 2 2 5 14 15 4 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 6H | 73 72 m 1H | 72 71 dq 2H J 12 62 | 71 70 tt 1H J 13 74 | 70 69 td 4H J 13 74 | 39 39 ddd 1H J 18 46 130 | 37 36 ddd 1H J 18 47 134 | 31 30 m 2H | 29 27 m 3H | 26 26 m 1H | 22 21 tddt 1H J 18 37 55 105 | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(Br)c1cccc(Br)c1
ir: 6 6 6 6 6 6 6 6 6 6 9 12 8 7 7 8 7 7 21 10 8 38 0 10 12 15 7 7 7 7 8 11 7 8 6 7 6 7 7 8 8 6 6 7 6 8 17 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 12 8 6 6 6 6 6 6 8 7 7 8 47 22 8 7 8 7 6 17 12 8 7 15 7 7 7 7 7 6 6 6 7 6 6 6 6 6 7 6 6 7 13 7 6 6 6 6 6 6 6 7 6 7 8 16 7 7 6 6 8 8 8 6 6 6 6 6 6 6 6 6 5 20 9 6 9 35 6 8 7 6 5 6 6 7 7 7 9 5 6 6 6 7 7 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 6 6 7 7 7 7 7 6 6 20 15 12 7 12 7 6 6 7 10 16 100 9 8 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 76 76 m 1H | 74 74 m 2H | 74 73 m 1H | 55 54 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C#N)c(-c2ccc(F)c(C)c2)c(C#N)c1O
ir: 6 6 2 2 4 4 7 4 3 5 2 2 2 4 5 8 4 4 3 2 2 5 5 9 2 3 3 4 2 4 9 8 3 5 20 5 3 8 3 5 9 6 3 3 2 5 12 11 23 4 3 2 2 10 31 7 5 4 2 3 3 3 4 12 9 4 5 3 24 11 19 25 8 4 4 4 2 3 1 2 3 2 2 3 3 6 16 13 17 41 0 3 4 6 7 82 27 9 3 3 3 2 1 1 2 2 1 3 4 2 1 2 2 3 1 2 3 3 1 3 3 6 3 3 2 2 7 4 3 4 4 2 3 1 1 4 8 12 6 2 3 4 12 2 2 2 25 5 45 4 10 2 14 1 1 2 2 2 5 12 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 3 42 4 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 5 1 1 1 1 1 1 2 1 1 1 2 2 2 2 1 2 2 2 2 2 2 2 2 3 10 7 2 29 100 37 16 4 3 6 5 31 60 5 4 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 1 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 s 1H | 76 75 m 1H | 74 74 ddd 1H J 21 39 82 | 73 73 s 1H | 71 70 dd 1H J 82 102 | 39 39 s 3H | 23 23 d 3H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(C)(C)c2c1ccc(-c1cccc(C=CC(=O)O)c1)c2OCc1ccccc1
ir: 1 1 0 1 1 1 1 1 3 2 6 12 1 2 3 5 1 4 5 7 19 60 67 26 7 8 3 2 3 2 1 9 3 7 5 2 1 1 1 3 3 3 1 1 1 2 1 6 6 2 1 0 2 6 5 7 3 1 1 1 1 1 1 1 3 2 3 2 3 9 4 3 4 3 2 10 8 4 13 10 4 8 9 4 6 2 7 5 4 7 1 1 2 2 1 1 1 2 2 1 3 2 1 1 1 1 1 2 1 1 0 1 2 5 8 2 2 1 2 2 1 3 3 5 2 2 1 3 5 4 1 5 2 2 4 16 3 2 6 3 2 4 4 14 12 6 3 2 1 1 1 2 4 6 4 6 1 1 1 1 1 1 2 1 1 1 1 2 1 1 0 0 0 1 1 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 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 5 17 15 100 29 7 3 3 1 0 1 1 7 21 5 10 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 78 78 t 1H J 21 | 76 75 m 5H | 74 73 m 7H | 71 70 d 1H J 75 | 64 63 d 1H J 165 | 51 51 d 2H J 9 | 19 19 s 4H | 14 14 s 5H | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CN2CCOCC2)cn1
ir: 1 3 4 18 5 5 3 6 8 3 6 2 1 2 3 1 1 5 2 1 1 2 2 1 2 3 100 22 1 2 2 19 1 4 3 2 7 47 4 2 2 4 5 3 1 2 2 18 4 3 16 25 14 4 75 7 3 8 2 1 2 4 2 3 11 11 3 1 5 15 10 1 11 5 3 2 2 3 3 4 7 38 22 17 6 3 11 3 3 2 7 2 3 5 4 2 6 19 19 19 68 5 2 2 3 3 2 6 33 4 0 2 4 4 2 3 4 3 2 2 3 2 9 25 6 5 10 4 2 2 2 6 24 19 61 19 12 2 1 2 3 2 2 2 2 2 3 0 13 12 1 6 5 1 1 4 3 0 2 96 14 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 3 3 4 2 1 2 3 3 4 15 8 22 26 48 5 8 3 2 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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; 1HNMR: 83 82 ddt 1H J 9 18 29 | 77 76 dddd 1H J 8 18 40 79 | 70 69 dd 1H J 79 102 | 38 38 t 2H J 9 | 37 37 m 4H | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1n[nH]c2ncc(-c3ccc(O)c(C(=O)N4CCOCC4)c3)cc12
ir: 3 4 3 2 2 9 7 3 5 4 7 8 5 3 6 3 9 7 5 4 8 14 8 5 11 14 37 23 15 29 8 5 18 11 13 6 2 4 4 7 46 100 61 29 22 9 4 6 4 1 2 4 3 4 28 7 7 9 6 4 2 2 11 5 3 4 2 4 8 6 6 7 6 6 3 4 3 1 3 2 2 3 8 13 7 4 10 13 8 12 6 19 8 6 14 10 6 6 2 40 10 3 11 5 11 5 5 3 0 3 7 8 6 9 6 10 2 5 10 3 0 4 9 12 11 7 6 8 8 6 5 1 1 4 15 7 6 9 22 4 2 5 13 2 4 5 6 40 41 36 34 7 5 20 7 6 19 5 3 11 34 22 2 1 2 8 2 1 1 2 2 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 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 0 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 2 1 1 2 2 1 2 4 6 1 2 3 2 2 3 5 8 4 19 96 38 13 22 39 55 6 4 4 2 1 2 3 1 1 2 2 1 0 2 2 1 1 4 3 2 14 65 6 4 3 2 2 1 2 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 d 1H J 16 | 84 84 d 1H J 16 | 82 82 d 1H J 22 | 78 77 dd 1H J 12 86 | 75 75 dd 1H J 21 89 | 74 73 td 1H J 13 76 | 72 72 ddd 1H J 12 75 86 | 71 71 d 1H J 89 | 69 69 dd 1H J 12 77 | 39 39 s 3H | 37 36 m 2H | 37 36 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccc(Br)cc2C(F)(F)F)CCC1
ir: 15 34 6 6 13 5 1 3 5 6 6 5 5 5 9 9 6 3 9 4 4 2 1 4 4 2 2 4 3 1 2 3 4 2 2 4 3 1 2 4 3 1 2 4 3 2 5 4 2 1 2 7 8 17 12 37 4 21 20 7 6 10 16 5 2 2 10 18 9 5 8 7 11 4 5 8 26 56 5 5 3 3 4 3 9 50 20 33 28 28 20 11 13 1 4 4 9 9 47 100 16 4 6 3 0 3 9 29 26 13 25 17 0 4 10 52 42 10 7 7 8 12 8 3 1 3 4 2 1 3 4 2 3 22 21 2 1 3 4 1 1 3 4 5 12 4 3 2 4 13 4 2 2 9 19 3 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 3 1 2 4 4 10 9 5 3 1 3 6 9 14 55 68 20 4 5 5 3 2 10 8 3 2 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 dq 1H J 9 20 | 75 74 dd 1H J 22 79 | 72 71 d 1H J 79 | 34 34 s 1H | 23 22 dt 2H J 78 127 | 21 20 dt 2H J 79 129 | 19 17 pd 2H J 18 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1nc(-c2nc(C#N)c(N)nc2-c2ccc(F)cc2)ccc1=O
ir: 2 1 2 2 1 3 3 6 2 1 1 1 2 2 2 3 8 2 3 4 1 2 3 2 3 5 1 1 1 1 1 1 2 4 1 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 3 4 8 2 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 4 1 1 1 1 1 1 1 2 5 4 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 14 3 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 6 2 2 2 0 1 2 25 4 6 2 2 2 2 3 4 13 38 7 3 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10 16 2 1 0 1 1 1 0 1 1 0 3 100 6 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 79 78 d 1H J 97 | 72 71 m 2H | 68 68 d 1H J 99 | 58 58 s 2H | 45 44 p 1H J 68 | 14 14 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNC(=O)N1CCC(Sc2ccc(Cl)cc2)C1
ir: 21 5 7 7 7 3 2 3 6 4 3 4 3 5 11 4 3 2 2 3 3 3 26 12 4 4 2 2 2 3 3 3 3 2 2 4 4 5 19 22 29 11 3 5 5 8 5 4 3 4 5 5 18 48 30 14 8 0 3 6 11 3 4 7 26 11 6 5 33 5 2 2 3 3 2 7 4 4 6 9 3 2 4 2 4 5 4 17 6 2 5 7 25 4 4 3 5 4 4 5 6 21 6 4 3 3 3 3 3 3 4 5 5 5 2 3 2 3 5 6 12 12 7 6 4 3 2 5 3 3 2 3 4 8 10 6 3 3 3 3 3 3 4 17 25 93 46 100 19 4 5 19 38 8 4 3 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 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 3 3 3 5 5 4 2 3 4 9 6 4 4 6 4 33 16 20 13 9 2 3 3 3 3 2 2 2 2 3 3 3 3 3 3 3 4 3 7 54 57 11 7 5 3 3 2 4 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 2H | 73 73 m 2H | 61 61 t 1H J 49 | 39 39 m 1H | 37 36 m 2H | 36 35 ddd 1H J 41 59 127 | 33 33 m 3H | 26 25 t 2H J 64 | 23 22 m 1H | 23 22 s 6H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc(-c2ccc3cc(Br)ccc3n2)c[nH]1
ir: 4 6 2 3 2 6 4 2 2 2 2 2 2 1 0 0 0 0 0 1 1 0 0 1 1 2 1 1 1 1 0 1 7 23 3 3 14 16 30 10 25 9 3 2 2 3 2 1 2 3 3 2 2 9 32 5 4 8 7 5 5 13 21 8 2 2 1 0 7 2 10 6 2 2 5 1 0 1 1 4 39 2 17 10 2 1 2 13 2 10 7 11 10 2 7 34 4 11 6 5 6 8 3 5 3 5 3 12 4 11 31 15 8 7 12 23 18 7 15 21 22 17 5 4 3 30 6 19 30 58 39 17 9 4 2 1 4 6 19 18 6 9 17 11 6 9 40 30 10 5 26 3 3 4 1 1 1 4 1 6 1 0 1 10 1 0 1 1 2 2 0 0 0 1 0 1 1 0 1 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 3 4 5 5 7 3 3 4 3 4 4 5 1 9 10 21 26 76 45 65 72 100 7 11 12 15 4 3 3 11 27 12 5 1 3 1 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 1H J 21 85 | 81 81 t 1H J 23 | 81 80 d 1H J 84 | 80 79 d 1H J 82 | 77 77 dd 1H J 22 84 | 73 73 d 1H J 64 | 52 51 dd 1H J 27 45 | 39 38 td 1H J 46 55 | 23 22 ddd 1H J 36 45 132 | 21 20 ddd 1H J 26 54 131 | 19 18 m 2H | 17 16 ddd 1H J 42 55 67 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2cc(-c3ccc(-c4ccnc(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O
ir: 4 5 3 7 4 5 15 7 10 10 5 3 2 2 2 1 1 2 4 5 3 3 2 3 3 6 4 6 4 6 2 9 3 7 10 4 5 6 6 17 11 12 7 6 5 5 10 8 8 6 8 19 14 56 38 18 19 10 7 5 5 7 3 8 18 33 83 75 35 5 10 17 4 20 9 4 2 2 3 5 16 9 11 12 14 8 28 10 33 7 5 12 7 19 18 7 4 2 1 1 3 7 3 3 5 9 17 3 6 2 1 5 5 7 6 1 3 3 8 39 6 4 2 7 2 14 21 4 2 4 15 16 5 2 2 4 6 1 7 13 5 2 2 1 2 2 2 4 98 3 19 5 21 17 8 8 6 0 2 5 23 84 14 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 4 4 5 11 12 32 18 8 5 3 3 3 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 8 23 100 15 7 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 42 | 81 80 d 1H J 81 | 79 78 dt 1H J 46 91 | 78 77 dd 1H J 22 81 | 77 76 m 2H | 76 76 dd 1H J 20 42 | 75 75 d 1H J 66 | 73 73 d 1H J 66 | 72 71 m 2H | 40 40 d 2H J 7 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1
ir: 1 1 1 2 1 2 2 1 1 3 2 4 3 2 8 2 1 3 3 2 2 1 1 2 4 2 1 4 3 2 2 1 3 2 2 1 1 2 1 3 6 10 4 3 2 4 9 19 30 15 11 6 4 9 10 29 29 29 7 2 9 8 31 10 7 3 5 6 6 6 5 8 4 4 26 9 3 2 2 5 14 4 5 5 4 5 5 16 5 4 22 12 15 7 1 2 3 4 7 5 3 2 4 3 2 2 2 2 2 2 2 3 4 9 20 12 7 5 8 21 11 8 16 9 5 10 7 5 10 8 4 2 5 19 22 8 6 2 2 3 3 2 6 10 14 15 10 4 3 3 3 3 6 5 2 3 2 1 1 2 1 0 7 5 2 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 2 1 3 3 5 7 9 25 8 5 3 4 3 6 26 100 33 67 67 18 26 9 9 4 4 3 3 2 3 3 2 4 3 5 11 4 4 2 4 10 66 13 3 3 2 2 1 2 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 80 79 dd 1H J 13 75 | 78 78 dd 1H J 14 87 | 76 75 dd 1H J 75 88 | 74 73 dt 2H J 9 79 | 60 60 s 2H | 37 37 m 4H | 36 36 t 2H J 9 | 25 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCCNC2CC2)cc1
ir: 9 2 13 6 4 13 20 6 8 4 7 4 10 19 18 7 7 5 4 2 4 4 8 7 3 2 2 3 4 3 3 4 3 8 8 11 8 9 16 15 22 23 34 16 8 5 5 5 4 2 5 8 6 0 16 25 38 8 6 2 5 8 5 4 6 9 4 9 10 12 10 7 5 4 3 2 4 3 3 4 3 3 2 3 3 4 3 8 6 4 3 4 6 5 3 4 4 3 11 16 11 5 2 3 3 3 3 3 2 3 4 4 7 9 24 62 100 31 5 15 5 10 15 21 18 19 9 8 5 3 4 4 5 3 3 3 3 3 3 3 3 5 5 21 14 7 5 6 11 19 23 16 16 6 5 4 3 2 3 3 5 6 7 7 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 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 3 3 2 3 4 3 4 4 3 4 4 16 9 8 10 10 13 18 9 12 10 12 8 3 4 3 3 3 3 4 3 3 4 4 8 24 51 61 23 10 7 4 3 3 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 78 m 2H | 70 70 m 2H | 42 41 t 2H J 45 | 39 39 s 2H | 35 34 dt 1H J 34 66 | 31 30 td 2H J 33 45 | 26 25 dp 1H J 46 64 | 9 8 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccc(-c3ccccn3)c(OC)c2)nn2ccccc12
ir: 7 7 9 15 17 13 9 8 12 7 11 5 3 5 7 5 4 6 7 4 5 6 8 6 7 7 11 14 14 10 7 5 6 9 16 4 10 20 22 18 60 23 9 0 8 63 72 25 12 3 6 16 21 13 52 20 22 6 7 7 6 7 13 9 6 5 11 27 24 10 8 8 10 8 9 13 14 7 10 11 6 11 8 11 27 8 5 8 6 5 6 5 5 6 6 31 38 11 11 8 9 6 4 5 5 6 8 25 29 10 10 7 4 8 7 6 6 7 9 8 7 6 5 12 15 7 8 11 13 13 16 10 57 35 13 29 23 19 72 24 9 5 34 13 7 25 70 50 55 19 14 16 37 58 56 35 16 19 12 6 9 22 6 6 6 4 4 5 5 4 4 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 5 4 5 7 6 5 5 5 5 5 5 6 6 5 6 9 7 9 17 18 66 85 43 76 100 25 15 10 8 6 7 6 5 4 5 4 5 4 5 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 90 90 dd 1H J 14 69 | 86 86 dd 1H J 16 40 | 82 82 dd 1H J 14 92 | 79 79 d 1H J 95 | 78 78 dd 1H J 17 96 | 77 77 ddd 1H J 16 71 80 | 76 76 dd 1H J 14 81 | 75 75 m 1H | 74 74 d 1H J 17 | 72 72 ddd 1H J 15 41 71 | 72 71 td 1H J 13 71 | 44 43 q 2H J 64 | 39 39 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2cc(F)cc(C(=O)c3ccc(F)cc3)c2N1
ir: 3 3 2 2 2 2 2 3 3 2 2 2 6 5 3 2 3 5 5 3 8 3 4 3 4 10 25 15 5 5 3 3 2 2 2 4 5 2 2 4 5 17 14 5 4 3 3 3 3 9 2 3 2 2 3 3 11 10 3 3 3 2 2 2 2 2 2 2 19 19 6 4 3 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 2 3 5 9 2 4 2 2 2 11 5 3 6 3 2 2 2 2 2 6 3 2 2 2 2 3 6 5 11 3 5 3 2 3 7 5 4 11 8 3 2 2 2 2 2 2 2 3 2 2 2 3 14 14 6 3 3 3 8 5 4 10 2 5 5 7 4 3 9 100 15 3 0 15 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 3 3 2 2 3 2 2 4 9 16 38 8 2 3 4 3 2 3 4 3 2 4 6 3 3 2 3 2 2 2 3 3 2 5 75 34 3 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 m 2H | 77 76 dd 1H J 22 121 | 73 72 m 4H | 35 34 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(c1ccc(C=Cc2nc(CCl)cs2)cc1)C(F)(F)F
ir: 18 6 4 21 8 3 9 6 7 6 2 5 8 9 4 9 4 2 2 5 2 5 22 4 1 2 1 2 2 7 6 8 9 4 2 5 7 1 1 1 2 1 4 4 2 2 3 4 1 4 29 10 3 11 3 4 14 6 22 5 2 1 2 2 1 13 45 14 8 9 11 13 4 4 4 20 5 1 3 1 1 0 20 52 3 3 4 6 2 2 1 1 1 3 4 5 3 6 52 52 9 8 12 8 8 3 3 2 12 29 29 12 8 3 2 2 3 2 3 10 5 4 4 5 9 30 8 6 6 2 2 2 1 2 1 2 2 14 18 2 1 1 0 1 1 1 1 1 3 13 12 1 2 3 2 2 1 1 0 0 1 3 5 1 0 1 0 0 1 0 1 0 0 1 0 0 0 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 0 1 1 3 2 4 4 0 1 2 2 2 6 13 17 34 100 72 26 10 5 7 4 4 2 1 1 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 76 76 m 2H | 73 72 t 1H J 9 | 72 71 d 2H J 38 | 46 45 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(OCC)(OCC)CC1
ir: 9 12 13 16 8 12 60 35 30 36 44 32 22 13 18 5 8 11 3 4 4 3 3 4 8 7 7 4 7 5 4 4 3 3 5 3 5 7 6 4 9 5 3 3 3 4 4 4 3 4 3 3 3 3 6 3 7 11 8 4 8 6 8 9 13 18 6 9 5 5 9 19 35 30 48 58 40 25 12 5 5 5 2 2 5 6 16 11 14 14 23 12 15 13 25 17 25 19 26 28 15 19 8 12 29 12 25 54 90 25 30 60 58 58 24 50 42 36 21 26 14 40 19 24 22 22 7 11 18 28 18 17 7 11 20 29 29 15 10 7 7 9 22 31 55 43 24 19 6 1 3 4 3 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 2 2 2 2 2 4 5 6 9 12 11 9 15 22 34 18 16 26 30 13 18 42 100 50 30 35 8 9 5 4 2 3 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 42 41 q 2H J 64 | 37 36 q 4H J 64 | 24 23 p 1H J 63 | 20 19 m 2H | 19 18 ddd 2H J 70 94 146 | 18 16 m 4H | 13 12 td 9H J 25 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc2nc(Cl)c(NC3CC3)nc2cc1F
ir: 2 5 9 7 2 5 11 5 10 8 12 8 11 10 10 3 5 5 33 28 7 4 3 3 3 2 14 17 5 2 3 3 4 9 5 9 4 5 4 26 7 17 3 6 4 3 3 3 3 3 4 4 3 2 4 9 3 2 3 3 2 1 2 4 2 1 3 5 3 53 7 5 4 4 2 2 2 3 2 2 2 3 4 7 6 4 5 5 4 4 3 3 3 3 2 3 5 7 9 5 8 3 3 4 12 33 3 2 3 2 2 2 3 3 2 2 2 7 3 2 3 3 3 3 3 25 3 3 5 5 12 100 60 38 22 5 6 7 6 3 3 11 8 4 2 4 13 9 5 7 9 15 11 63 0 28 9 6 2 5 4 4 12 5 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 5 6 5 5 7 8 91 30 10 4 12 3 5 2 2 3 3 2 2 3 4 4 4 9 8 16 7 21 11 9 31 96 47 12 3 4 4 3 2 2 2 2 3 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 ddd 2H J 43 60 120 | 68 67 d 1H J 75 | 32 32 dp 1H J 49 77 | 8 7 m 2H | 6 5 dddd 2H J 8 49 79 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1=N[C@@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)CO[C@H](C(F)(F)F)[C@H]2CS1
ir: 2 2 2 1 3 1 1 9 4 6 2 2 2 3 2 4 5 3 2 1 2 2 2 2 2 8 2 5 3 3 3 2 2 4 6 2 7 2 3 3 1 5 2 1 2 3 7 3 1 1 2 1 1 0 5 7 1 2 3 1 1 2 1 1 1 0 1 6 4 6 14 3 1 1 2 4 4 3 0 0 0 0 0 0 0 0 0 1 1 4 3 3 1 1 0 0 1 1 1 9 6 1 1 4 2 1 1 1 4 2 5 1 0 1 1 2 1 1 1 1 1 1 0 2 0 0 1 2 1 1 2 1 1 0 0 0 0 1 2 4 11 2 1 2 1 0 12 20 20 6 10 5 2 4 1 4 3 0 0 1 0 0 0 0 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 1 1 0 0 1 1 1 2 0 3 1 1 10 3 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 9 1 1 1 1 9 11 2 1 1 4 100 13 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 100 99 s 1H | 90 90 s 1H | 88 87 m 1H | 77 76 dd 1H J 21 30 | 74 73 m 1H | 72 72 d 1H J 7 | 72 71 dd 1H J 72 102 | 60 60 s 2H | 48 47 dqd 1H J 18 65 82 | 45 45 dd 1H J 18 104 | 43 43 dd 1H J 18 103 | 33 32 dd 1H J 16 128 | 31 30 dd 1H J 44 128 | 25 24 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CNc1ccc2cc(CCc3ccccc3)ccc2n1
ir: 2 2 2 1 4 1 4 3 12 6 8 7 6 4 6 6 2 2 2 7 5 4 2 7 6 3 6 3 4 2 5 12 2 5 3 2 5 3 3 10 15 21 24 8 5 3 13 32 7 4 3 1 3 10 7 1 20 8 4 3 2 1 2 4 2 8 4 3 16 6 3 3 1 1 1 1 1 4 4 1 1 1 1 1 1 1 2 4 5 9 4 4 5 5 3 1 1 3 3 1 1 3 2 2 3 5 2 1 1 3 9 3 1 2 1 2 2 1 2 4 4 7 4 3 12 10 1 1 2 4 5 1 1 1 4 20 3 16 5 4 9 16 18 15 17 14 8 12 10 7 5 44 14 4 3 3 19 27 5 2 1 1 1 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 1 1 1 1 3 2 1 7 11 13 100 42 10 5 4 2 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 3 9 6 14 41 20 10 8 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 22 81 | 78 77 d 1H J 83 | 77 76 td 1H J 10 23 | 74 73 ddt 1H J 8 18 80 | 73 72 m 5H | 72 71 ddt 2H J 9 25 64 | 71 71 d 1H J 81 | 70 69 dd 1H J 11 75 | 69 69 td 1H J 10 77 | 67 66 t 1H J 54 | 46 45 dd 2H J 8 54 | 38 38 s 2H | 30 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc2c(nn1-c1ccccc1)-c1cc(Cl)ccc1CC2
ir: 7 5 0 3 6 7 9 4 9 5 7 4 7 4 2 31 28 4 1 4 4 3 6 9 28 32 5 5 6 5 14 16 34 45 8 13 9 3 5 14 7 59 62 24 19 18 3 6 6 1 4 5 5 6 31 9 4 2 10 15 4 27 20 10 12 13 17 13 30 42 10 9 3 1 6 7 4 9 12 18 3 2 5 5 3 3 5 6 1 2 7 13 5 40 31 15 13 7 11 17 27 11 12 9 4 4 6 3 0 4 8 6 1 3 6 4 6 11 8 5 5 8 7 3 2 4 10 9 11 7 6 4 3 5 18 21 75 37 6 3 4 10 15 26 39 43 22 63 11 5 8 12 52 19 9 2 3 5 3 6 6 24 4 17 30 5 3 1 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 1 4 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 2 3 8 7 3 5 5 5 4 7 17 16 34 100 77 61 35 17 14 9 3 4 5 4 2 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 79 78 m 2H | 75 74 m 3H | 73 72 tt 1H J 15 77 | 72 71 dd 1H J 25 85 | 71 71 dt 1H J 9 84 | 66 66 t 1H J 10 | 32 32 m 2H | 30 30 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)n1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21
ir: 29 22 24 22 23 24 21 23 24 27 27 24 30 48 49 27 22 19 18 19 19 18 22 26 29 27 19 24 21 30 21 19 27 25 18 20 81 25 22 24 21 19 41 20 19 16 18 19 18 17 17 19 19 18 32 76 24 19 19 18 18 18 25 19 19 19 24 34 23 40 21 19 19 18 19 19 19 24 22 18 17 17 18 19 20 17 19 20 17 17 18 18 19 18 23 28 27 23 19 18 17 18 19 24 27 19 17 25 32 18 19 17 16 18 19 18 19 100 26 26 23 24 21 58 26 21 23 25 40 65 42 26 18 25 66 92 26 18 28 83 19 18 24 47 19 33 34 28 23 21 31 34 19 25 27 0 57 15 18 23 19 18 18 18 29 17 18 18 17 17 17 17 17 17 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 17 17 17 17 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 16 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 18 18 17 17 18 17 17 17 18 18 17 20 20 19 17 18 18 18 18 18 19 18 21 20 27 37 39 49 62 88 33 20 24 23 18 19 20 19 18 18 18 17 17 18 18 18 17 17 18 17 17 18 18 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 18 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 17 17 17 18 17 17 17 18 17 17; 1HNMR: 88 88 t 1H J 13 | 84 84 m 2H | 79 79 m 2H | 76 75 m 2H | 74 74 m 1H | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc2[nH]c(-c3cc(C)c(O)c(C)c3)c(C)c2c1
ir: 1 1 2 1 1 2 2 2 2 1 1 1 2 1 1 2 5 3 3 2 3 3 1 9 8 2 3 2 2 3 4 3 1 3 6 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 7 50 14 1 1 2 1 3 8 2 2 2 5 11 4 10 3 5 3 8 3 2 2 2 5 1 1 0 0 1 2 47 2 2 1 7 12 10 3 2 1 0 1 1 0 0 1 3 4 2 1 1 2 4 12 9 66 3 1 1 2 2 2 2 3 3 1 1 1 1 1 2 2 2 2 1 4 3 2 1 0 2 2 1 1 33 4 1 1 2 0 0 0 1 1 2 5 1 1 1 1 5 6 25 2 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 2 1 1 1 2 1 2 1 1 2 1 2 4 6 2 15 35 20 11 4 1 1 1 5 100 24 5 2 1 1 2 1 0 1 1 1 2 2 1 1 3 5 17 16 7 13 8 2 1 1 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 73 73 d 1H J 73 | 71 70 d 1H J 27 | 70 70 s 2H | 69 68 dd 1H J 27 71 | 60 60 s 1H | 39 39 t 2H J 54 | 25 25 s 2H | 22 21 s 6H | 19 18 qt 2H J 53 78 | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=NO)C(=O)CCc1cccc(Cl)c1
ir: 11 51 24 14 6 12 10 12 12 13 5 12 7 8 4 4 1 4 11 5 1 1 2 7 7 1 3 3 6 2 10 9 4 2 2 1 2 3 3 3 7 3 2 2 3 9 18 17 3 4 5 1 1 1 1 1 1 2 1 1 2 1 1 0 2 6 6 9 3 4 4 3 3 5 13 52 13 5 4 4 2 3 2 1 3 4 19 3 1 1 1 2 3 3 2 1 2 3 6 11 27 3 1 1 2 1 1 1 2 1 1 6 4 2 1 3 1 1 2 2 2 1 2 2 3 7 10 14 27 14 14 3 1 2 3 4 6 10 4 4 31 5 4 2 1 1 1 1 1 0 0 9 2 1 15 18 3 0 1 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 0 8 2 1 2 1 1 2 3 3 5 9 4 26 45 13 4 5 2 1 3 9 100 58 4 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 73 72 m 2H | 72 71 dp 1H J 8 22 | 71 71 dddd 1H J 9 20 38 53 | 44 43 q 2H J 71 | 32 31 td 2H J 7 77 | 30 29 m 2H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCOc1ccccc1
ir: 2 6 4 2 1 1 3 1 5 2 2 1 1 1 2 1 0 4 7 2 1 1 4 4 1 1 1 1 4 2 2 1 1 2 2 0 1 4 4 12 63 12 2 16 9 0 3 2 1 0 1 2 1 2 7 2 1 0 1 2 1 1 2 3 6 4 5 13 16 7 3 4 1 3 2 1 1 1 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 4 18 22 8 5 4 2 2 1 2 2 3 2 2 4 6 4 3 4 5 4 9 15 11 4 5 8 6 6 10 2 2 1 1 1 1 42 3 3 2 1 1 3 5 44 100 12 5 1 1 2 4 4 26 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 7 5 3 3 5 3 3 2 5 3 4 4 16 20 24 19 42 43 29 10 9 3 3 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; 1HNMR: 73 73 m 2H | 70 70 tt 1H J 14 75 | 69 69 m 2H | 44 43 t 2H J 51 | 42 42 t 2H J 51 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)C(O)CF
ir: 8 6 6 2 5 4 5 5 5 6 3 5 2 3 2 3 2 2 1 2 6 1 1 2 1 1 1 3 2 3 2 3 4 4 1 1 2 1 1 8 9 5 2 2 2 1 1 2 2 0 1 1 1 1 2 2 2 1 1 1 1 2 2 4 2 4 3 3 6 7 2 2 2 2 2 2 1 1 2 1 1 1 2 1 5 3 7 51 100 29 17 6 3 6 7 8 7 4 7 3 1 1 1 1 2 1 2 2 4 4 2 2 1 1 1 1 2 2 2 3 1 3 4 1 1 1 1 1 1 2 2 2 1 3 6 3 12 3 1 0 1 1 6 21 8 10 6 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 3 4 10 21 9 4 2 3 1 1 2 12 7 1 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 73 m 4H | 73 73 m 1H | 52 51 m 2H | 50 49 dd 0H J 44 103 | 49 48 dd 0H J 44 103 | 47 46 dd 0H J 44 103 | 46 45 dd 0H J 43 103 | 45 44 ddt 1H J 43 70 260 | 43 42 dd 1H J 36 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Oc1ccc(F)c(Cl)c1
ir: 5 6 7 5 6 7 6 7 5 6 7 6 11 8 6 6 5 6 6 5 6 5 8 7 8 7 25 13 10 5 5 5 9 11 7 27 9 26 77 32 48 22 15 19 8 7 9 6 5 7 5 6 6 7 20 20 15 13 14 9 6 6 8 5 10 7 11 13 11 8 6 5 5 6 10 5 5 6 6 47 6 16 10 10 8 6 5 5 5 8 7 6 5 5 6 7 8 9 10 10 17 7 9 9 12 10 4 6 5 5 5 5 6 6 5 5 6 5 5 5 6 5 4 5 7 7 8 8 17 9 7 17 7 6 7 6 5 5 6 20 20 10 6 6 6 5 47 18 89 27 8 53 29 17 6 8 7 11 21 0 5 10 6 8 9 7 5 3 4 6 5 3 5 6 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 5 5 6 5 5 5 5 5 5 5 7 10 9 14 50 16 12 8 7 5 5 5 6 5 4 5 5 5 5 5 5 5 4 6 7 9 5 8 11 31 100 11 7 7 6 4 4 5 5 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 4 5 4 4; 1HNMR: 84 84 s 1H | 83 83 d 1H J 9 | 73 71 m 6H | 71 70 ddd 1H J 21 36 84 | 37 36 t 2H J 9 | 27 27 m 4H | 25 24 m 4H | 24 23 d 6H J 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CC(c1ccccc1Cl)N1CCN(C(=O)OC(C)(C)C)CC1
ir: 9 9 10 6 9 7 6 6 5 9 30 17 2 10 10 10 8 8 6 11 3 5 2 2 5 6 2 1 1 0 1 1 1 1 2 2 1 5 6 6 9 7 49 13 4 2 2 1 3 2 3 3 1 1 1 0 2 4 6 2 1 4 6 7 3 3 3 2 4 7 5 3 3 4 6 8 4 2 3 4 3 6 21 27 23 13 16 19 16 11 8 7 13 3 8 8 6 8 7 10 10 12 12 3 3 6 2 2 1 1 3 3 5 7 14 6 10 12 12 38 26 6 13 12 3 4 5 5 5 19 9 14 8 6 5 9 43 14 3 1 2 3 4 2 2 1 2 2 18 6 3 100 5 1 1 0 0 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 2 2 3 1 2 1 6 3 1 2 1 2 1 6 14 26 14 13 59 37 9 3 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 39 38 m 1H | 35 34 m 4H | 30 29 dd 1H J 59 108 | 28 27 ddd 2H J 41 60 115 | 27 25 m 8H | 15 14 s 7H | 11 10 t 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Cc1ccccc1C#Cc1nc(Cl)ncc1Cl
ir: 1 1 1 1 1 1 2 2 1 2 1 2 1 1 2 2 3 3 3 4 5 5 5 4 2 6 8 3 4 3 6 3 8 4 3 3 11 24 4 2 7 10 8 3 1 2 2 2 3 2 3 4 3 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 11 2 1 1 3 2 1 1 1 2 2 1 1 1 7 2 2 1 1 1 1 1 1 1 1 3 6 2 5 5 2 9 4 24 9 4 3 2 2 2 1 2 3 8 34 7 16 100 7 6 1 3 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 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 14 6 2 1 0 1 1 1 1 1 1 1 1 1 1 3 3 22 9 3 2 3 2 1 1 1 1 1 1 2 6 27 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H | 74 74 m 2H | 74 73 ddd 1H J 15 66 79 | 73 72 td 1H J 19 67 | 66 65 s 2H | 36 35 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCS(=O)(=O)Nc1ccc(CCCOCCCCCCBr)cc1
ir: 7 8 11 11 9 7 16 10 15 13 8 6 10 10 9 5 10 4 4 3 5 4 5 5 4 4 8 4 11 10 10 8 14 6 9 2 4 6 14 7 19 24 7 9 6 4 6 8 4 7 2 4 6 9 12 10 21 14 19 5 3 5 1 2 2 1 6 4 13 13 20 6 5 5 5 3 1 3 2 1 1 1 1 1 2 10 30 31 4 5 6 10 16 2 3 8 7 50 12 15 10 14 13 6 2 10 11 23 15 6 4 5 3 5 5 4 14 9 19 10 7 9 6 9 11 5 6 10 8 10 16 15 5 1 2 3 2 1 1 1 0 2 2 1 2 3 2 4 4 17 15 6 24 5 1 1 1 0 0 1 0 1 17 2 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 1 0 1 0 0 1 0 1 1 0 0 1 0 1 1 2 1 3 4 6 8 7 4 2 3 2 3 4 13 15 10 17 100 14 5 2 2 2 3 2 1 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 5 29 76 23 7 1 1 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 s 1H | 71 71 m 4H | 35 34 m 6H | 31 30 t 2H J 105 | 26 25 tt 2H J 8 86 | 19 17 m 7H | 16 15 m 2H | 15 14 m 2H | 15 14 m 4H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nn(C)cc2-c2ccnc(Cl)n2)cc1
ir: 2 2 2 2 2 4 5 5 4 3 4 9 4 2 2 2 2 2 2 2 4 4 3 2 2 2 3 3 3 3 2 2 2 2 2 4 4 2 2 2 2 2 2 3 4 45 52 10 11 5 2 0 5 56 51 16 7 1 2 4 2 0 2 5 2 1 17 21 69 82 58 2 6 3 2 1 2 3 2 1 2 2 1 1 2 2 4 7 7 8 6 3 9 10 8 13 5 8 5 6 10 24 2 2 2 2 2 2 5 7 3 3 4 4 5 5 4 4 6 6 12 8 10 11 3 4 7 16 26 18 4 3 2 2 2 2 2 2 3 8 7 3 3 5 5 3 3 2 5 12 20 6 6 6 2 3 2 1 6 2 2 1 13 8 1 3 2 1 2 2 2 2 5 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 2 2 3 3 2 3 5 6 15 14 20 85 100 48 71 28 7 4 4 3 3 3 3 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 84 d 1H J 46 | 77 76 d 1H J 46 | 76 76 s 1H | 75 74 m 2H | 71 71 dq 2H J 7 78 | 39 39 s 3H | 24 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1csc2c(NCc3ccccc3)nc(Cl)nc12
ir: 6 29 12 22 3 4 7 3 3 2 2 1 4 6 1 2 3 2 4 10 3 2 2 3 6 3 2 2 2 3 7 3 2 2 3 2 3 5 100 29 36 3 4 1 1 2 2 1 1 2 2 3 3 2 3 2 2 3 8 2 1 2 2 1 2 2 2 2 3 4 2 4 3 3 3 1 2 2 2 1 1 1 1 3 1 1 1 2 1 15 1 1 2 2 1 2 2 3 2 2 2 1 1 1 10 2 1 2 2 2 2 9 3 2 0 12 7 2 2 1 1 3 2 1 1 1 1 1 1 5 1 1 2 2 3 5 2 5 3 31 4 4 39 12 3 2 5 3 2 4 6 10 22 9 13 3 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 7 18 10 7 5 10 5 2 4 2 2 2 1 2 1 1 1 2 2 1 1 1 2 2 3 27 4 7 11 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; 1HNMR: 84 84 t 1H J 49 | 76 75 s 1H | 74 72 m 5H | 47 47 dt 2H J 9 49 | 34 34 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(O[C@@H]2CCCC[C@H]2N2CCCCC2)cc1
ir: 5 4 3 7 7 5 3 5 5 3 10 8 8 12 10 19 15 13 14 11 18 63 71 100 19 10 4 6 5 6 5 12 10 8 5 5 3 2 2 4 3 1 2 3 3 3 3 4 5 2 7 3 11 7 11 37 29 8 6 9 2 3 2 5 2 1 4 3 5 17 8 8 19 20 17 16 27 9 39 30 15 9 3 7 11 12 20 13 29 13 8 9 2 3 3 3 5 3 4 5 3 3 3 6 4 9 2 3 7 5 16 10 10 9 15 94 12 8 10 6 9 7 5 8 8 5 15 11 3 8 8 6 3 5 6 4 4 4 3 4 6 12 29 32 11 13 5 4 17 18 10 19 9 4 6 4 2 4 2 1 2 3 12 17 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 2 1 1 2 2 1 2 4 3 9 4 8 3 8 3 3 4 5 5 14 15 23 43 18 71 14 10 6 3 3 3 4 13 8 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 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 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 0 1 2 1 0; 1HNMR: 80 80 m 2H | 70 70 m 2H | 46 45 ddd 1H J 35 62 79 | 30 29 ddd 1H J 44 69 80 | 29 28 ddd 2H J 44 60 119 | 27 26 ddd 2H J 43 61 119 | 20 19 dddd 1H J 36 61 95 129 | 18 14 m 13H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N)ccc1S(=O)(=O)NCCCCCC(=O)O
ir: 7 9 12 8 7 5 5 5 2 4 10 3 10 6 7 5 5 4 15 17 10 32 15 9 3 3 2 4 2 1 2 2 3 2 4 6 3 4 9 7 4 7 12 4 5 5 2 2 2 3 2 1 4 8 10 15 3 2 10 2 2 2 1 0 4 41 13 22 12 8 2 4 2 2 1 2 2 12 22 36 9 2 4 5 24 4 3 3 2 3 2 1 1 3 3 2 2 3 19 10 2 4 12 18 17 8 3 5 7 4 1 3 5 5 11 8 6 7 2 4 4 2 3 1 1 1 2 1 3 3 2 2 2 1 3 1 2 2 1 1 6 3 8 23 17 4 2 1 2 4 3 3 3 11 9 47 15 3 1 1 1 3 18 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 1 0 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 3 6 2 5 15 4 1 1 1 1 2 3 6 26 100 21 1 3 3 1 0 2 22 10 4 21 8 2 1 1 2 1 0 11 89 15 4 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 99 s 1H | 78 77 d 1H J 92 | 66 65 d 1H J 22 | 65 64 dd 1H J 22 92 | 64 63 t 1H J 66 | 45 44 s 2H | 38 37 s 2H | 29 28 dt 2H J 60 67 | 23 22 t 2H J 89 | 16 15 m 4H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(NS(=O)(=O)c2ccccc2C(=O)N2CCCC2)ccc2ccccc12
ir: 9 9 4 4 5 16 6 6 4 4 4 19 8 11 6 5 6 9 10 14 18 22 3 23 9 12 14 6 6 23 10 11 15 4 5 8 10 28 11 7 6 10 42 52 9 4 9 8 5 7 8 21 17 6 14 11 35 13 12 8 8 3 9 8 6 20 11 5 5 4 5 5 6 6 8 5 5 4 15 19 53 13 5 10 28 36 82 7 6 6 4 3 4 4 3 3 3 10 5 19 12 4 3 3 3 7 3 10 10 51 19 19 32 28 4 4 9 8 5 3 6 6 5 10 25 15 12 51 17 26 6 9 6 2 2 7 21 8 3 7 9 7 6 10 9 4 8 19 36 9 6 42 10 5 5 3 3 10 56 10 4 3 3 3 3 3 3 10 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 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 4 3 3 3 3 3 3 4 3 4 5 5 4 3 4 6 4 0 24 11 15 100 70 9 7 2 6 6 5 4 38 59 12 10 3 0 4 6 2 2 4 5 3 2 5 11 12 62 50 43 12 4 8 4 3 4 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3; 1HNMR: 82 82 dd 1H J 13 77 | 81 81 dd 1H J 14 85 | 81 80 d 1H J 86 | 79 79 ddd 2H J 15 46 82 | 78 77 ddd 1H J 17 75 88 | 76 74 m 4H | 36 35 m 4H | 20 19 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nnc(-c2ccc(C)c(Br)n2)nc1CC
ir: 3 6 5 4 5 13 55 5 10 22 22 80 29 9 12 12 7 5 7 12 8 36 18 14 25 89 13 8 50 6 5 3 10 8 17 18 100 21 14 9 18 14 19 30 21 15 33 16 11 8 7 8 15 57 44 7 6 7 4 3 12 9 2 2 3 3 3 7 5 10 8 12 6 3 2 4 8 30 5 4 4 2 23 37 20 46 16 7 5 4 4 9 8 12 12 9 4 4 4 4 9 34 6 6 4 7 0 5 13 38 36 10 29 73 64 30 19 57 87 91 17 14 21 25 53 36 15 17 41 47 9 57 28 14 12 9 54 18 29 15 8 4 8 19 61 16 18 50 44 9 3 6 7 3 3 4 3 1 11 23 4 5 2 0 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 3 3 3 3 3 3 2 12 9 6 7 7 5 6 12 12 11 8 10 7 18 24 71 44 27 93 39 28 7 5 5 6 5 5 3 3 2 2 3 3 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 88 | 78 77 dq 1H J 11 88 | 29 28 m 4H | 24 24 d 3H J 9 | 14 13 t 3H J 83 | 13 13 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](COc2cc(F)c(C(=O)O)cc2C2CC2)CC1
ir: 4 2 1 3 4 3 2 4 6 3 2 5 9 3 2 11 8 9 7 18 25 100 37 10 16 7 4 5 6 3 2 6 3 1 2 6 6 18 6 7 7 5 4 4 4 1 2 4 2 1 2 5 4 3 3 4 2 0 2 4 2 1 3 6 4 3 15 14 26 11 10 9 8 8 10 7 5 15 33 4 4 6 5 4 1 4 8 4 4 2 3 3 1 3 5 3 2 3 7 3 2 4 10 23 8 6 6 9 11 19 9 5 5 5 4 3 4 8 21 4 2 3 4 3 2 3 7 14 4 5 5 5 1 4 9 8 3 3 4 2 2 3 3 1 1 3 3 8 9 11 7 8 22 70 31 2 2 3 3 2 4 4 2 2 5 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 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 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 1 2 4 4 1 3 4 5 4 4 11 9 0 19 11 11 6 8 7 5 2 2 3 3 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 80 dd 1H J 7 47 | 68 68 d 1H J 121 | 41 41 dd 1H J 60 114 | 40 39 dd 1H J 60 114 | 30 29 pd 1H J 7 59 | 20 18 m 1H | 17 16 ddt 2H J 51 84 126 | 15 13 m 5H | 12 11 dddd 2H J 53 71 82 122 | 11 10 m 2H | 9 9 d 3H J 72 | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc2cc(-c3ccccc3)nn2c1
ir: 0 0 1 0 0 2 3 1 1 1 1 8 6 2 1 4 4 13 16 2 1 9 7 1 1 2 2 7 12 10 38 40 58 9 7 1 4 6 11 2 86 69 9 7 7 1 1 1 1 1 1 1 7 13 18 7 13 22 21 4 2 1 3 5 3 4 10 10 8 3 2 4 1 1 5 9 12 2 3 3 1 0 1 1 3 5 4 1 0 2 5 8 1 1 3 2 13 19 4 1 0 1 2 24 12 1 1 2 10 7 1 3 2 3 24 21 12 3 4 3 2 8 7 10 9 2 2 5 6 5 2 4 3 5 12 10 27 2 2 1 1 4 19 94 25 6 5 13 41 6 11 15 14 2 1 1 7 5 10 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 2 2 0 4 6 7 8 17 57 57 100 57 11 9 7 4 2 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 p 1H J 14 | 84 84 p 1H J 11 | 80 79 m 2H | 75 74 m 2H | 74 74 m 1H | 70 69 s 1H | 23 23 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1cc(OCC2CC2(F)F)c(Cl)cc1F
ir: 0 0 0 0 1 2 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 1 4 2 16 7 7 6 6 19 3 1 1 2 3 3 7 2 3 1 4 2 1 1 1 1 3 1 0 1 0 1 0 0 0 1 1 1 0 1 0 1 1 1 1 3 3 11 2 0 1 1 0 0 1 1 0 0 0 0 0 0 0 2 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 0 5 1 0 0 0 0 0 0 0 0 0 1 2 1 0 1 0 1 3 2 1 0 0 1 1 0 0 0 1 1 1 5 10 4 1 0 0 1 3 16 2 1 3 3 1 2 1 1 1 1 3 3 1 9 0 0 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 13 3 1 0 1 1 0 0 0 1 1 0 0 0 7 3 0 1 1 1 0 1 3 6 100 8 4 7 2 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 d 1H J 121 | 67 67 d 1H J 43 | 64 64 q 1H J 36 | 59 59 d 2H J 37 | 42 42 ddt 1H J 29 58 107 | 41 40 ddt 1H J 29 58 106 | 25 23 m 2H | 23 22 tdd 1H J 55 106 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(c1cc(O)cc(C(C(C)C)C(C)C)c1)C(C)C
ir: 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 4 5 3 7 3 5 8 3 2 2 2 2 3 2 2 3 5 11 11 19 4 4 4 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 3 2 2 2 2 2 2 2 3 3 3 3 5 3 4 2 2 2 2 2 3 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 4 4 2 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 1 2 2 3 2 3 3 3 2 3 6 3 9 12 12 6 2 4 4 2 0 9 100 6 6 3 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 68 68 s 1H | 68 67 t 1H J 21 | 66 66 d 2H J 21 | 24 23 dddt 2H J 15 29 62 79 | 21 20 dp 4H J 62 78 | 9 9 dd 12H J 15 62 | 9 8 dd 12H J 15 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.