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Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC(N(C)C)c2ccccc21
ir: 13 17 11 7 16 8 8 7 3 6 10 5 7 5 12 8 7 8 5 4 4 6 7 5 8 15 9 4 3 5 14 4 4 5 8 15 13 7 10 12 26 17 15 24 22 8 9 11 5 5 13 5 6 0 32 18 22 9 7 4 4 3 3 4 17 9 17 21 16 26 19 17 11 8 8 6 6 6 9 7 11 10 10 7 7 6 10 27 52 16 6 8 6 6 12 25 28 20 8 8 13 6 4 4 4 7 11 5 5 6 16 30 25 14 15 10 10 11 14 26 21 7 12 42 24 25 40 8 3 8 11 7 13 7 17 15 8 14 10 8 9 11 8 8 16 17 8 6 22 79 39 7 13 9 13 12 6 5 4 9 7 5 4 10 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 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 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 4 5 6 7 7 5 4 7 3 8 13 21 23 78 100 51 24 12 15 8 4 5 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3; 1HNMR: 82 82 m 1H | 81 80 dd 1H J 21 89 | 79 79 d 1H J 88 | 74 73 ddd 1H J 7 15 86 | 73 72 td 1H J 14 78 | 72 72 dd 1H J 15 77 | 71 70 td 1H J 16 81 | 39 38 ddd 1H J 59 67 125 | 38 37 dt 1H J 62 125 | 37 37 m 1H | 26 25 s 2H | 23 23 d 6H J 15 | 21 19 m 2H | 19 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1cc2ccccc2c2ccccc12)c1cc2ccccc2c2ccccc12
ir: 16 10 1 6 7 13 5 3 3 1 1 1 2 11 4 2 3 1 1 10 2 2 2 1 1 0 1 1 1 1 1 1 1 0 1 5 4 1 14 77 29 96 31 4 32 14 13 3 4 4 2 1 1 0 2 1 3 4 2 2 1 1 8 16 2 4 9 3 9 19 3 4 5 5 41 17 18 4 5 34 21 21 4 8 2 19 25 54 96 14 18 4 2 1 3 7 3 1 3 5 0 1 11 2 2 1 2 8 29 7 13 3 1 2 7 10 3 1 1 1 2 1 1 1 1 3 8 6 2 4 4 14 8 7 8 8 28 34 59 16 5 2 4 6 7 33 6 2 3 2 10 2 3 20 49 11 4 1 1 1 2 15 3 2 3 9 2 2 2 1 1 1 3 1 1 1 1 0 0 1 0 1 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 0 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 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 4 11 6 3 2 1 4 3 2 3 4 9 19 52 57 94 9 22 49 18 13 7 100 24 10 6 0 1 1 1 0 1 1 1 0 1 1 0 1 0 1 1 1 4 1 2 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: 87 87 dd 2H J 12 77 | 86 85 m 2H | 80 80 m 4H | 78 77 d 2H J 19 | 77 76 dtd 4H J 12 66 82 | 76 75 td 2H J 12 73 | 75 75 td 2H J 12 78 | 64 64 dd 1H J 9 53 | 27 27 d 1H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccnc1C=C1C(=O)Nc2ccccc21
ir: 12 7 0 34 41 6 1 6 9 8 6 5 8 4 1 6 11 5 3 7 9 6 3 7 8 4 5 8 8 5 3 11 21 42 23 34 18 9 7 9 9 55 100 19 10 1 4 9 6 1 6 11 7 1 9 21 17 26 13 24 12 10 6 8 7 3 10 10 4 2 6 9 6 9 10 10 8 3 6 7 3 5 10 14 7 9 34 21 3 3 12 14 13 4 10 12 3 4 25 44 19 13 17 11 4 6 14 12 5 5 8 14 9 10 9 5 2 7 12 7 2 11 15 10 19 16 14 4 6 11 16 5 4 7 8 2 7 30 34 9 4 11 10 4 4 13 39 41 11 10 24 20 4 8 10 5 3 7 5 18 14 10 6 2 4 7 5 2 4 10 6 2 5 8 4 1 4 8 4 1 5 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 7 5 2 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 2 6 6 3 3 6 6 3 3 6 6 3 4 6 5 3 3 6 5 2 4 7 7 4 4 6 5 2 5 8 5 9 6 11 12 16 46 82 75 31 21 14 4 4 8 9 4 2 7 8 4 3 7 7 7 2 7 8 9 8 14 22 33 19 20 10 6 4 6 6 3 4 6 5 2 3 7 5 2 4 7 5 2 4 6 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 79 79 m 1H | 73 73 td 1H J 13 75 | 73 72 d 1H J 38 | 72 71 m 3H | 71 71 dd 1H J 8 38 | 70 70 s 1H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1
ir: 1 1 1 2 3 2 1 1 3 1 3 1 2 1 2 1 1 1 1 1 1 2 2 0 0 1 2 3 3 3 2 3 2 3 3 1 1 4 5 0 44 31 4 3 4 2 1 2 1 0 1 1 2 3 9 14 7 4 5 2 11 3 2 3 6 20 7 6 10 6 3 10 4 1 1 1 1 2 5 6 16 5 5 4 25 6 2 4 9 6 3 1 1 1 1 1 2 2 3 1 6 7 6 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 2 1 3 3 2 1 1 2 2 1 1 1 1 24 0 2 2 0 0 2 18 14 7 9 4 10 10 3 3 6 14 5 2 2 1 1 1 1 1 8 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 2 1 1 1 1 1 1 2 2 11 8 12 100 30 11 4 3 3 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 73 72 m 2H | 70 70 m 2H | 69 69 m 2H | 69 68 m 3H | 51 50 d 2H J 10 | 41 41 t 2H J 59 | 33 32 m 4H | 29 28 t 2H J 59 | 28 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)c2sccc2Br)cc1
ir: 6 4 6 7 1 6 4 7 7 2 4 7 3 4 8 7 6 5 5 5 4 5 2 2 4 4 25 20 3 7 6 3 24 20 9 5 5 3 2 12 13 15 10 5 7 16 9 3 8 7 23 15 6 5 15 34 49 7 6 2 3 3 4 7 3 1 1 1 4 23 5 7 3 2 6 5 4 3 1 1 1 1 1 1 1 1 2 5 13 11 2 2 1 1 1 1 1 1 1 1 1 3 4 20 5 2 5 3 1 1 1 1 0 1 2 1 2 6 45 11 4 12 7 7 11 6 6 11 6 2 1 3 3 14 3 4 3 1 1 2 2 3 15 10 4 2 1 4 13 53 35 17 29 17 2 2 1 1 1 0 1 1 8 3 2 7 22 7 4 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 3 3 1 2 1 2 1 1 1 8 26 7 7 14 22 19 52 58 41 42 5 4 2 1 1 1 1 1 2 1 2 1 1 1 1 2 2 4 1 10 14 100 26 9 9 4 3 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 94 94 s 1H | 76 76 d 1H J 51 | 76 75 m 2H | 73 73 d 1H J 49 | 69 69 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CCc1nnco1
ir: 18 10 6 9 8 7 10 13 11 7 6 7 5 3 3 4 4 10 17 6 5 8 2 7 7 3 5 8 9 10 17 14 5 10 17 11 7 15 8 11 14 6 16 18 7 7 5 5 7 8 5 6 10 17 4 3 12 10 7 7 4 8 13 6 9 8 5 4 5 4 3 10 3 8 3 3 3 17 6 5 3 8 4 5 8 7 13 24 7 5 27 38 8 8 5 11 17 17 20 10 26 13 8 9 9 8 11 11 12 16 17 11 6 9 26 12 9 19 6 18 22 13 12 11 19 7 19 8 19 15 10 9 3 6 10 11 10 21 19 10 6 5 6 8 9 42 16 56 13 6 10 34 31 9 100 14 4 2 2 2 2 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 1 31 0 2 3 2 1 2 2 2 1 2 2 2 1 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 3 2 1 2 3 2 1 2 2 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 3 2 2 2 3 2 2 2 3 3 2 7 6 4 2 7 5 7 9 7 6 6 8 22 21 30 12 15 11 5 2 8 9 4 2 3 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 83 82 s 1H | 49 48 s 2H | 39 37 m 7H | 37 36 ddd 1H J 47 70 114 | 31 30 m 2H | 29 28 m 2H | 28 27 s 2H | 21 19 ddt 1H J 72 82 141 | 19 19 p 1H J 59 | 13 12 s 5H | 10 8 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(-c2cccs2)c2nc[nH]c2n1
ir: 34 12 22 13 26 6 15 9 9 4 10 9 7 5 10 6 58 9 33 23 69 89 48 53 16 30 13 12 8 25 12 12 12 8 12 9 13 12 14 4 19 8 23 11 6 5 6 19 28 16 9 4 3 8 7 5 4 4 3 4 4 4 8 8 5 9 22 24 16 11 3 6 10 12 4 6 9 8 5 2 3 3 5 2 2 2 1 2 2 20 16 3 3 2 3 4 6 23 6 4 2 3 3 4 12 9 14 7 3 3 3 4 4 2 2 2 2 1 4 6 5 2 5 6 3 1 1 3 3 3 4 7 5 5 3 7 5 33 23 32 33 5 4 5 4 5 6 38 51 29 28 46 14 10 10 32 2 2 3 3 60 41 20 7 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 2 4 3 3 6 10 43 43 21 8 27 9 4 1 2 3 2 1 1 2 1 2 3 3 3 3 8 57 37 6 3 2 2 5 28 60 60 13 8 100 82 20 3 3 2 2 2 2 1 1 1 1 2 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 85 85 d 1H J 57 | 75 75 s 1H | 74 74 dd 1H J 17 50 | 74 74 dd 1H J 16 60 | 72 71 dd 1H J 50 61 | 59 59 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)COc1ccc(Br)cc1CN(CC)c1ccc(C(N)=O)nn1
ir: 5 6 5 5 6 5 6 6 6 5 4 5 5 7 5 12 11 9 20 14 16 20 7 10 11 5 5 5 8 7 9 9 9 5 6 4 4 6 7 12 26 4 7 7 5 4 4 5 5 5 4 5 6 8 22 18 7 4 5 5 5 4 4 4 5 6 8 10 10 9 8 6 5 6 8 9 10 5 5 4 4 6 8 12 9 6 7 6 5 6 4 5 5 6 5 5 7 5 9 7 8 6 5 5 4 4 6 5 4 6 7 4 5 5 6 4 5 5 5 5 4 5 5 5 8 6 8 4 7 8 6 10 8 11 5 4 4 4 4 4 4 5 8 17 8 5 4 5 5 9 16 11 9 6 4 6 7 0 48 10 12 8 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 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 5 5 5 6 5 5 14 10 11 40 30 9 8 16 9 5 5 4 4 4 4 4 4 4 4 5 6 14 4 4 4 4 4 4 4 4 4 4 5 7 100 9 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: 80 79 d 1H J 78 | 74 74 dt 1H J 9 19 | 74 73 dd 1H J 22 92 | 72 72 s 2H | 71 70 d 1H J 78 | 68 68 d 1H J 90 | 51 50 hept 1H J 13 | 50 50 dq 1H J 11 22 | 46 46 d 2H J 10 | 44 43 t 2H J 14 | 37 36 q 2H J 76 | 18 18 t 3H J 11 | 13 13 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(OCC)c1cnc(F)c(-c2cc(N)nc(C)n2)c1
ir: 3 4 5 5 3 6 3 2 0 3 3 3 4 5 3 3 2 5 5 3 2 3 3 1 1 4 3 2 1 2 2 2 1 2 7 25 22 100 74 18 4 1 3 1 1 1 3 1 1 2 1 0 1 2 2 1 2 3 2 1 1 2 1 2 4 2 16 13 3 6 3 2 3 9 6 6 4 4 2 3 3 2 0 0 2 3 1 1 1 1 1 0 2 2 1 3 2 2 1 1 2 1 0 1 2 3 1 1 2 2 1 1 3 3 0 1 2 2 1 2 3 2 1 2 3 5 3 3 6 4 5 6 17 21 7 2 2 0 0 2 2 1 1 34 31 1 1 34 29 10 11 13 5 3 6 28 23 23 9 81 18 9 8 14 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 1 1 1 1 2 1 3 3 4 2 2 4 3 8 12 10 6 2 3 6 3 2 1 1 1 1 1 1 1 1 1 4 13 5 1 1 1 1 1 1 1 1 1 1 25 20 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 dd 1H J 17 37 | 83 83 dd 1H J 16 37 | 68 67 d 1H J 20 | 60 60 s 2H | 44 43 d 1H J 29 | 42 42 d 1H J 29 | 41 40 q 2H J 68 | 25 24 s 3H | 13 12 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1cc(N2CCC(CNc3ccccc3C(=O)Nc3ccc(Cl)cn3)CC2)ccn1
ir: 2 4 6 5 5 7 8 10 5 21 7 19 12 17 23 21 20 8 12 10 8 11 17 6 10 8 7 9 8 13 6 6 3 11 15 10 13 6 9 5 11 57 49 13 18 11 5 6 6 3 3 2 2 5 5 6 5 1 3 2 4 1 2 6 10 7 5 15 8 9 9 9 5 5 10 10 10 6 4 2 3 3 5 3 4 10 14 5 4 5 5 11 3 4 12 18 100 23 3 4 4 2 2 5 6 11 10 4 2 3 4 2 1 2 8 4 2 4 6 3 3 3 3 3 5 2 4 3 7 7 3 11 13 5 8 4 7 10 14 10 6 19 6 1 10 28 25 10 22 14 18 7 18 31 9 6 11 7 3 7 5 10 14 12 4 2 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 1 1 0 1 0 1 1 1 2 2 1 1 1 1 1 2 2 2 8 6 12 20 23 13 4 2 3 11 16 42 27 10 5 3 4 1 3 14 20 13 5 7 7 18 34 50 54 58 10 12 10 5 1 3 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 91 91 d 1H J 79 | 90 89 d 1H J 27 | 87 87 s 1H | 86 86 d 1H J 19 | 83 83 d 1H J 51 | 79 78 m 1H | 77 76 dd 1H J 19 80 | 73 72 m 3H | 71 70 m 1H | 69 69 d 1H J 21 | 69 68 m 2H | 34 33 ddd 2H J 57 85 124 | 33 32 m 4H | 19 18 m 3H | 17 16 ddt 2H J 57 86 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1c(C)nc2c(OCCCc3ccc(Cl)cc3Cl)cccn12
ir: 0 1 0 1 1 2 1 0 1 0 1 0 0 0 0 4 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 8 10 6 3 3 37 12 2 1 2 4 7 6 5 2 2 3 10 9 1 0 1 1 2 8 13 2 2 0 2 2 2 1 2 2 4 6 1 1 1 0 0 3 3 1 0 1 1 1 2 2 3 4 1 1 1 2 0 1 0 1 1 1 2 1 1 7 24 17 15 1 9 6 2 1 2 2 3 3 5 2 2 1 2 2 1 1 1 12 2 2 3 4 3 1 1 2 7 14 5 2 9 1 2 1 1 16 3 2 3 2 1 0 1 1 0 15 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 1 0 0 0 1 2 1 1 1 1 0 1 1 2 3 6 5 7 20 15 13 6 14 3 2 1 1 2 2 1 2 1 1 2 2 6 9 6 100 8 1 3 2 2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 m 1H | 73 73 d 1H J 21 | 72 71 dd 1H J 22 84 | 71 70 dt 1H J 9 85 | 70 70 m 2H | 43 42 t 2H J 63 | 41 41 d 2H J 51 | 38 37 h 1H J 47 | 28 28 td 2H J 8 84 | 25 24 d 3H J 46 | 24 24 s 2H | 21 20 tt 2H J 63 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)CC1CC1
ir: 10 6 2 4 2 2 3 3 3 4 5 4 3 2 3 2 2 2 2 2 2 2 2 2 2 5 8 2 2 2 2 2 2 2 2 4 4 5 2 2 5 3 6 4 3 3 3 3 3 3 2 3 3 4 3 2 2 2 2 2 2 2 2 2 3 3 5 3 10 8 5 3 2 2 3 2 2 2 2 2 2 2 2 5 5 5 4 6 3 2 2 3 3 4 4 6 7 9 10 9 4 6 7 3 3 2 2 2 3 2 4 5 6 8 6 6 6 7 9 10 26 14 11 10 3 10 10 15 3 4 3 2 2 3 3 1 1 4 5 1 0 8 13 100 95 8 4 11 7 3 5 10 6 2 2 4 2 0 1 3 3 1 2 3 2 0 1 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 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 4 2 2 5 5 4 6 4 3 4 9 10 10 19 13 12 10 5 10 6 5 4 4 3 2 2 2 2 2 2 2 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 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 2 2; 1HNMR: 41 41 t 2H J 65 | 23 22 d 2H J 70 | 17 15 m 3H | 14 13 h 2H J 70 | 10 9 t 3H J 70 | 6 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)C(=O)N1CCCC(C(=O)N(C)c2sc(-c3cncc(F)c3)nc2C)C1
ir: 4 4 6 4 5 8 10 6 8 5 9 5 6 5 2 5 4 5 4 9 6 1 2 2 5 3 1 1 1 1 4 2 1 0 2 4 5 0 4 3 6 2 3 3 4 1 6 4 54 5 15 2 15 8 4 6 10 15 24 13 11 26 6 14 5 3 3 6 9 6 4 14 7 10 14 18 2 5 5 4 4 5 14 16 21 5 9 15 12 50 3 3 16 4 7 4 3 5 13 8 10 7 18 34 41 39 46 35 28 35 7 35 84 61 35 22 30 36 33 41 34 34 28 25 10 19 10 11 11 17 18 12 6 13 30 12 6 3 5 13 6 7 11 17 6 4 2 6 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 2 48 6 1 0 1 1 1 1 4 7 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 3 1 1 2 1 1 2 2 1 2 2 4 17 10 18 5 12 26 43 36 18 9 12 51 26 56 89 100 92 17 86 27 5 5 4 3 3 2 3 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 86 86 t 1H J 18 | 83 82 dt 1H J 16 139 | 77 77 dt 1H J 17 121 | 39 38 dd 1H J 51 114 | 36 36 m 1H | 36 36 s 3H | 34 33 m 2H | 31 30 tt 1H J 51 64 | 28 27 h 1H J 73 | 25 25 s 2H | 21 20 ddt 1H J 66 93 130 | 20 19 m 1H | 19 17 m 2H | 17 16 dq 1H J 72 127 | 15 13 m 3H | 11 10 d 3H J 73 | 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.
COc1c(NCCF)ccc(F)c1F
ir: 2 2 1 2 2 3 2 2 3 3 1 7 7 10 15 16 8 22 13 7 6 7 6 14 6 4 4 7 3 2 3 4 3 3 2 3 2 1 1 2 3 2 1 3 2 0 1 2 1 0 1 5 3 2 28 11 2 4 2 2 2 1 3 2 1 1 2 2 1 1 3 2 1 1 2 2 2 4 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 2 1 1 1 1 0 1 2 1 1 1 2 2 1 2 6 39 12 7 3 2 1 2 3 4 4 2 8 4 3 5 2 2 1 2 2 1 1 2 2 5 7 6 2 1 1 2 3 5 8 21 2 1 3 32 5 2 1 5 3 1 1 2 2 0 2 8 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 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 0 1 2 2 1 1 3 4 1 6 33 13 2 1 2 1 1 2 2 1 0 1 2 2 1 1 2 2 4 2 2 2 7 4 20 100 90 13 8 10 4 3 2 1 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 70 ddd 1H J 49 92 103 | 64 64 dd 1H J 47 92 | 62 61 td 1H J 27 49 | 47 46 t 1H J 34 | 46 46 t 1H J 33 | 39 39 s 2H | 36 35 ddt 2H J 33 49 234
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCc1ccc2c(n1)OCCO2
ir: 5 7 9 5 8 7 84 14 13 39 9 4 4 2 2 2 3 2 1 2 3 3 3 4 2 1 3 3 2 3 11 8 7 21 9 15 12 25 23 24 17 13 8 6 4 2 2 3 2 0 2 20 31 23 21 48 36 7 4 4 5 0 2 13 7 7 20 5 2 7 28 5 8 2 1 1 1 1 1 2 2 1 2 3 4 11 17 13 12 7 9 19 14 11 8 20 5 6 8 4 6 17 3 2 2 3 5 6 6 5 12 6 2 7 4 2 2 3 3 3 2 3 7 18 7 5 7 34 2 3 3 1 3 6 8 20 29 100 41 19 15 3 2 3 2 3 9 14 6 2 14 9 10 19 6 3 8 11 10 11 13 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 5 6 5 6 10 6 4 3 2 4 8 6 21 13 18 50 17 17 23 8 7 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dt 1H J 9 83 | 71 70 d 1H J 82 | 47 46 d 2H J 10 | 45 44 dd 2H J 36 50 | 44 43 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cnc(C[C@@H](C)NC(=O)OC(C)(C)C)s1
ir: 8 4 3 3 3 2 1 3 5 3 3 2 1 1 2 2 1 2 3 4 2 1 9 6 13 11 13 24 57 61 11 5 4 2 5 1 3 3 3 4 3 3 4 0 1 2 2 1 1 2 2 1 1 2 1 1 2 3 2 1 4 3 5 4 3 3 1 0 1 4 3 2 3 4 3 9 4 2 1 1 1 1 1 1 1 2 1 1 2 2 3 2 2 3 1 4 13 12 10 5 6 3 6 3 2 2 5 5 6 4 23 14 27 11 4 4 8 11 15 8 6 12 15 5 4 3 2 6 12 10 11 8 4 4 3 3 2 3 4 4 2 3 4 21 63 100 8 3 18 43 42 8 2 1 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 3 3 4 2 6 3 4 4 3 3 1 3 5 12 13 23 10 6 3 2 2 1 1 1 1 1 0 1 2 3 3 2 1 1 0 1 2 1 1 4 7 21 58 50 28 5 3 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 d 1H J 9 | 57 57 d 1H J 75 | 42 41 q 2H J 66 | 41 40 m 1H | 31 30 tt 2H J 7 83 | 30 29 dd 1H J 49 154 | 28 28 m 2H | 27 27 dd 1H J 49 154 | 14 14 s 8H | 13 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc2cc(O)ccc2s1
ir: 2 3 6 7 1 3 3 2 2 8 4 5 3 7 5 2 1 2 4 3 1 3 3 3 2 4 4 6 5 35 10 4 15 11 7 2 2 5 13 6 3 13 13 36 51 18 7 1 3 4 3 3 3 6 12 10 4 4 1 0 2 4 3 2 2 2 9 16 5 5 1 0 3 3 2 1 2 2 1 3 4 5 7 24 24 11 1 2 8 1 0 1 2 4 2 12 8 3 2 4 4 5 51 4 2 1 1 5 2 3 5 6 3 2 0 3 3 8 3 5 2 3 1 2 3 9 2 2 3 4 7 7 4 2 2 6 7 39 5 5 7 3 2 6 28 5 5 16 70 57 43 12 58 14 4 4 16 15 5 3 2 1 1 2 1 1 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 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 3 4 1 1 2 2 1 1 2 1 0 1 2 2 1 2 3 2 3 13 4 18 45 20 12 13 3 4 8 43 100 12 5 2 2 2 2 2 2 2 4 2 4 8 15 25 76 62 6 11 10 4 2 1 4 1 1 1 1 2 3 1 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 s 1H | 81 80 d 1H J 84 | 78 78 d 1H J 20 | 78 77 m 1H | 77 76 m 2H | 75 74 t 1H J 23 | 75 75 s 1H | 73 73 m 2H | 69 68 dd 1H J 21 83 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(C)c(Cc2c(O)ccc3ccccc23)[nH]1
ir: 2 2 2 2 3 1 1 1 2 1 1 1 3 1 2 1 4 4 3 2 1 1 1 0 1 1 1 1 0 1 1 1 1 2 2 1 2 2 7 7 9 11 10 13 7 6 5 3 2 3 3 2 5 17 25 5 3 1 1 1 3 1 1 2 2 2 3 1 7 1 2 2 3 4 4 6 4 2 2 2 2 3 1 1 4 8 3 2 8 1 2 3 4 12 2 2 2 2 6 9 1 2 2 1 3 2 1 29 0 2 2 1 1 4 4 13 7 6 2 3 2 2 1 6 4 2 4 1 2 2 3 14 8 2 2 8 3 1 2 3 3 12 13 11 3 2 2 1 2 4 16 2 2 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 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 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 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 3 3 3 5 8 2 5 3 4 5 10 5 8 8 6 100 20 2 4 6 2 0 4 78 9 15 28 3 2 2 1 2 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 1H | 79 78 m 1H | 78 78 d 1H J 88 | 75 75 ddd 1H J 15 71 84 | 73 72 td 1H J 13 73 | 68 68 d 1H J 88 | 62 62 s 1H | 43 43 s 2H | 28 27 q 2H J 62 | 23 23 s 3H | 14 13 t 4H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(COCC(COCc1ccccc1)COS(=O)(=O)c1ccc(C)cc1)OCC
ir: 8 4 3 3 4 5 1 11 8 33 6 7 6 22 7 3 11 4 2 1 1 2 2 4 17 2 2 0 0 2 8 7 19 5 2 0 1 5 5 1 44 5 52 5 11 20 5 1 33 3 3 7 6 30 7 4 2 3 2 5 3 2 5 3 31 10 9 18 11 24 12 9 21 65 43 14 28 48 13 10 34 26 6 4 16 64 3 2 23 5 2 2 4 23 27 7 3 8 5 7 4 2 1 1 1 2 3 2 5 3 2 2 2 2 4 3 1 4 4 15 5 7 4 3 4 12 4 5 4 4 3 2 1 2 4 21 3 1 1 1 1 2 6 45 5 5 23 6 4 3 3 2 3 1 1 1 1 1 1 1 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 2 2 2 3 7 2 1 3 4 3 3 4 11 16 8 28 100 44 14 8 0 2 5 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 74 73 m 5H | 45 44 m 2H | 42 41 dq 4H J 72 85 | 41 40 m 1H | 39 38 m 1H | 37 36 m 4H | 35 34 ddd 2H J 27 65 115 | 24 24 d 3H J 8 | 24 23 tt 1H J 65 76 | 14 13 td 6H J 7 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1c(N)nc(-c2ccc3oc4ccccc4c3c2)nc1-c1ccc(Cl)cc1Cl
ir: 1 5 7 4 3 4 4 2 3 4 4 5 9 8 10 6 4 3 2 2 3 3 3 5 9 11 3 3 7 7 3 4 2 3 8 6 3 12 8 10 10 4 85 100 16 7 6 3 2 6 15 13 5 6 9 20 8 11 4 2 1 5 2 1 2 3 14 9 4 3 3 17 15 13 22 10 7 6 11 10 15 8 2 2 2 2 1 1 3 6 1 3 3 2 1 2 3 4 2 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 3 6 5 2 6 4 2 2 2 2 4 19 18 2 3 4 6 5 2 2 17 7 23 18 3 4 8 6 11 18 6 10 11 30 68 32 35 27 17 9 2 1 4 8 8 3 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 2 4 6 18 80 25 2 4 2 3 2 2 1 1 2 1 1 2 3 17 11 4 22 18 4 2 11 10 1 1 1 1 1 2 26 28 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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; 1HNMR: 83 82 d 1H J 24 | 80 80 dd 1H J 12 90 | 79 78 dd 1H J 24 81 | 76 75 m 3H | 75 74 m 2H | 74 73 m 2H | 53 53 s 2H | 46 45 t 2H J 76 | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(NCCCc2ccccc2)nc(N)nc1-c1ccco1
ir: 2 10 5 10 2 8 5 7 2 1 3 3 1 1 2 3 4 1 1 2 12 8 5 3 2 2 3 4 4 15 13 5 5 3 4 4 4 12 6 10 7 1 2 4 9 29 28 14 4 2 2 2 3 2 2 1 1 2 1 0 1 1 1 2 1 0 2 6 4 2 1 1 1 1 1 2 1 0 2 1 1 1 1 3 1 0 1 1 1 2 2 2 0 1 0 1 1 4 2 2 1 0 1 0 0 0 1 1 1 1 4 1 2 1 2 2 2 5 2 2 2 2 4 4 4 2 1 1 1 1 3 4 3 1 3 8 3 2 3 7 4 10 19 13 29 15 12 4 6 63 20 7 48 4 2 2 3 21 4 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 1 1 1 1 2 2 2 4 22 4 4 6 2 2 2 1 1 1 1 1 2 2 1 2 1 6 8 8 7 5 11 6 38 6 5 3 2 2 9 100 23 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 t 1H J 15 | 73 72 m 5H | 70 69 dd 1H J 16 57 | 67 67 dd 1H J 12 58 | 63 62 s 2H | 44 44 t 1H J 38 | 35 35 td 2H J 37 64 | 27 26 tt 2H J 9 77 | 20 19 tt 2H J 64 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)cc(C)c1O
ir: 1 1 1 1 2 3 15 5 4 4 1 3 3 3 1 1 1 1 1 1 3 2 3 3 3 1 1 1 2 3 3 3 45 7 2 5 2 3 2 4 17 7 4 2 26 5 1 2 1 0 3 5 3 5 20 5 3 2 2 1 4 25 2 2 10 3 2 7 11 2 2 6 1 1 1 3 2 1 2 1 0 1 3 73 24 5 3 2 3 9 1 1 1 2 3 2 1 7 10 2 2 1 1 1 1 1 2 2 2 21 3 5 1 2 1 1 2 2 2 3 5 14 9 3 2 2 2 3 3 1 3 2 1 2 4 15 13 37 1 7 4 4 7 45 6 2 3 2 8 2 20 29 4 2 2 2 1 1 3 8 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 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 0 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 0 1 3 1 1 1 1 1 0 1 2 2 1 2 5 4 3 11 10 28 100 30 12 6 6 6 4 6 47 22 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 71 | 75 74 d 1H J 71 | 74 74 s 2H | 73 72 m 5H | 61 61 s 1H | 22 21 s 6H | 17 17 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1nc(N(C)C)nc(C)c1OCc1ccccc1
ir: 2 1 2 4 2 4 2 1 1 3 1 2 2 1 2 2 2 2 8 9 12 4 5 6 15 26 4 12 7 2 2 5 10 4 6 4 5 7 9 40 45 14 5 1 3 4 3 5 2 2 1 2 1 2 2 2 1 1 2 1 1 1 2 3 2 3 9 10 7 9 6 3 2 3 2 2 2 3 5 2 1 1 1 1 2 2 2 2 4 6 3 5 5 2 2 2 3 4 2 2 4 1 1 1 1 2 2 2 3 2 4 7 8 4 6 4 3 11 9 3 5 3 3 2 3 7 11 8 8 7 7 9 4 6 8 15 6 2 0 2 3 1 10 17 13 53 24 3 5 2 33 100 1 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 3 2 2 2 2 4 4 15 14 10 20 49 38 7 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 52 51 t 2H J 8 | 33 33 s 5H | 28 27 t 2H J 75 | 24 24 s 2H | 18 17 p 2H J 76 | 15 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1c(C(=O)O)cc2cc(Cl)ccc21
ir: 2 2 1 2 2 2 2 2 2 3 6 3 3 2 2 5 4 3 3 3 3 5 12 74 6 4 4 2 2 2 2 2 2 2 2 2 2 3 2 1 2 2 2 1 2 2 3 4 2 2 2 2 2 5 8 2 2 3 2 1 2 2 2 1 2 2 3 3 3 3 6 2 3 3 1 0 5 60 49 5 1 0 2 2 1 1 2 2 2 2 2 2 2 3 3 2 2 3 4 2 1 2 2 2 2 2 2 2 1 2 3 2 1 2 5 8 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 4 3 2 5 5 3 3 3 2 3 7 6 7 2 2 2 2 6 5 2 4 4 5 6 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 1 1 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 3 3 3 3 5 16 14 4 4 3 2 3 1 0 6 77 100 11 1 0 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 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 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; 1HNMR: 79 78 t 1H J 23 | 77 76 d 1H J 83 | 76 76 d 1H J 20 | 73 72 dd 1H J 22 82 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)cc(CC(=O)O)c1
ir: 2 1 0 1 2 3 4 14 6 10 4 6 6 11 8 10 8 4 2 6 11 58 20 15 6 5 5 3 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 3 6 4 1 2 2 2 1 1 1 2 2 1 1 1 1 2 1 1 0 3 9 28 41 23 8 8 5 4 2 2 2 10 12 50 100 11 11 4 3 1 1 2 3 2 2 4 3 2 13 7 2 1 4 6 5 4 4 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 2 4 7 5 2 3 1 2 2 7 2 5 5 2 2 2 1 2 1 1 1 2 1 3 5 7 26 15 3 3 1 1 1 1 1 1 1 1 1 1 2 4 54 20 4 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 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 0 1 1 1 1 1 2 3 0 1 2 1 1 2 9 2 0 61 37 5 6 4 0 2 2 2 2 14 49 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 69 68 dtt 1H J 9 21 120 | 67 67 td 1H J 10 21 | 66 65 dt 1H J 22 121 | 38 38 s 3H | 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.
CC(C)[C@H]1C(=O)OC(=O)N1C(=O)c1ccccc1
ir: 8 6 3 4 9 24 8 7 10 6 26 21 6 4 4 5 5 3 4 8 6 3 2 4 4 3 3 6 9 4 6 9 10 15 24 19 24 50 15 15 73 12 9 14 9 7 30 9 5 0 4 9 12 2 3 6 3 0 3 6 4 6 7 6 5 3 4 5 13 16 4 4 2 1 4 6 4 6 10 6 2 3 6 4 2 2 4 5 4 2 4 4 2 2 4 6 3 2 6 8 2 3 5 4 9 15 10 5 2 3 12 9 7 6 68 12 1 5 9 6 4 7 7 3 2 5 5 3 2 17 38 42 15 31 12 19 2 5 6 2 1 5 8 12 7 89 74 9 6 6 8 43 25 29 100 10 4 3 3 4 15 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 4 5 4 2 3 4 3 2 7 9 9 10 5 12 18 14 20 89 13 10 4 5 3 2 4 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 79 79 m 2H | 75 75 m 3H | 46 45 ddq 1H J 15 31 75 | 24 23 dp 1H J 73 81 | 11 11 dd 3H J 15 73 | 11 10 dd 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C2CCCC(NCc3ccccc3)C2)c1
ir: 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 2 1 1 1 1 1 3 0 1 1 0 1 2 8 4 0 1 1 1 1 4 5 6 36 10 5 7 6 7 23 34 3 3 1 1 1 1 2 4 3 8 3 2 1 2 2 1 1 3 4 7 5 4 7 4 3 3 4 5 3 2 2 2 1 1 1 0 0 0 0 1 1 7 0 3 3 0 1 1 2 6 5 5 1 1 2 5 5 4 9 7 3 6 2 3 6 3 9 5 5 4 4 1 3 2 2 3 2 1 3 3 4 5 5 3 1 5 15 8 8 10 18 4 4 9 5 3 2 1 1 1 0 0 1 1 1 1 1 2 9 1 1 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 1 1 1 1 1 2 9 9 11 17 17 5 3 3 2 1 1 2 1 0 2 1 0 0 1 3 1 4 23 100 27 5 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; 1HNMR: 74 73 m 2H | 73 72 m 1H | 72 72 m 3H | 70 70 dq 1H J 10 78 | 69 68 dt 1H J 12 77 | 67 67 q 1H J 10 | 39 38 ddt 1H J 8 51 139 | 38 37 m 3H | 30 29 dt 1H J 51 68 | 29 28 m 1H | 28 27 dddd 1H J 44 53 68 99 | 21 20 ddd 1H J 54 70 139 | 20 19 ddt 1H J 58 84 134 | 19 18 ddd 1H J 53 70 139 | 18 15 m 4H | 14 13 dddd 1H J 44 60 90 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(NCC(c2ccccc2)C2CCCCC2)c2ccccc2n1
ir: 13 9 9 6 5 7 7 7 7 6 6 5 6 7 7 13 8 5 5 6 6 7 8 12 7 7 6 5 5 6 8 9 11 7 6 5 5 8 7 6 7 12 9 40 7 6 5 5 5 5 5 23 100 10 8 5 5 5 5 5 6 6 23 9 5 6 5 6 7 11 9 5 6 6 7 5 6 5 6 5 5 5 6 5 6 11 5 5 5 6 6 5 5 5 5 5 6 6 7 5 5 5 8 5 5 6 6 6 6 7 10 10 11 10 8 6 5 10 7 8 10 7 8 6 8 6 6 5 7 5 6 7 9 11 11 26 8 6 7 7 19 29 11 14 65 20 12 6 5 14 13 0 17 12 3 8 9 54 6 8 6 3 5 6 9 32 9 6 5 4 5 6 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 4 5 5 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 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 5 5 5 4 5 5 6 5 5 6 5 5 7 6 6 6 11 13 15 19 15 9 9 6 5 6 5 5 5 5 5 4 5 5 5 5 6 6 6 6 6 7 12 42 20 24 36 10 6 7 5 5 5 5 5 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 4 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 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 83 82 dd 1H J 12 97 | 81 80 dd 1H J 13 76 | 78 78 td 1H J 12 71 | 75 75 ddd 1H J 13 69 95 | 73 72 m 3H | 72 71 m 2H | 59 58 t 1H J 59 | 37 37 dt 1H J 57 144 | 36 35 dt 1H J 57 145 | 29 28 m 1H | 20 19 dp 1H J 57 92 | 16 13 m 9H | 13 12 ddt 2H J 57 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(Cl)ccc1Br
ir: 1 2 3 5 10 5 3 2 1 1 1 1 2 4 5 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 2 3 1 1 0 1 1 1 1 2 2 2 1 2 3 19 18 13 3 4 14 8 3 3 3 2 4 2 11 100 53 13 4 2 3 2 1 1 3 6 9 17 3 1 1 2 6 1 1 2 4 7 63 96 1 1 2 1 2 2 5 4 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 6 8 2 3 3 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 7 27 24 3 1 1 1 2 24 27 2 2 5 6 5 6 1 1 1 1 2 4 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 2 2 1 1 3 5 3 4 6 8 46 43 31 2 7 4 1 0 3 4 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 d 1H J 78 | 73 73 dt 1H J 9 25 | 72 72 dd 1H J 25 78 | 45 45 d 2H J 7 | 35 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
ir: 5 6 7 6 7 4 5 5 5 3 5 5 3 7 8 4 4 16 21 7 6 5 17 16 4 6 4 5 7 22 23 12 5 4 4 4 4 3 4 7 3 4 3 3 5 8 8 4 4 4 4 3 4 5 8 4 8 18 31 30 10 5 6 5 8 6 5 5 6 5 5 4 5 11 22 11 7 4 3 3 3 3 3 5 4 4 4 6 13 12 6 9 11 4 3 3 4 3 4 4 5 4 4 6 6 6 7 19 11 9 6 6 5 6 4 6 6 5 3 7 5 4 3 4 5 4 3 4 5 4 8 10 5 4 2 6 10 5 0 81 24 6 4 14 16 11 18 10 5 3 3 28 100 18 10 14 12 7 6 6 3 5 3 2 5 34 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 4 4 4 4 5 4 4 5 4 4 18 10 4 5 5 12 18 18 13 9 4 4 4 3 3 3 4 3 3 4 4 3 3 3 3 3 3 3 4 3 3 5 4 4 5 5 5 7 12 26 10 5 5 5 4 4 3 3 3 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 99 99 s 1H | 88 88 d 1H J 75 | 79 79 s 1H | 76 76 d 1H J 17 | 75 75 dd 1H J 13 75 | 43 43 q 2H J 64 | 41 41 s 2H | 38 38 m 4H | 20 20 m 4H | 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=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(OS(=O)(=O)C(F)(F)F)c1
ir: 9 4 15 10 4 8 6 6 15 31 19 6 7 9 6 18 11 11 5 5 8 50 70 14 9 5 8 17 5 6 3 7 8 4 3 2 1 1 1 1 1 0 0 1 1 1 3 9 8 2 2 3 3 5 15 29 13 6 2 2 1 1 2 4 15 7 4 5 9 21 13 29 16 6 2 2 4 12 41 12 2 4 2 2 8 38 9 3 2 8 1 1 0 1 1 1 3 6 14 2 2 1 1 1 0 1 1 2 1 1 3 10 1 1 1 1 0 1 3 4 2 2 4 7 17 6 6 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 34 5 2 10 7 3 2 6 4 2 1 1 1 1 2 7 5 17 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 5 36 100 16 7 3 2 2 1 1 2 69 82 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 83 82 m 2H | 76 76 t 1H J 22 | 75 75 t 1H J 23 | 72 72 m 2H | 68 68 t 1H J 23
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=NOCc1ccccc1-n1c(Cl)nn(C)c1=O)c1cccc(C(F)(F)F)c1
ir: 6 3 4 4 3 3 1 5 0 2 1 1 2 10 1 4 6 11 5 7 4 4 1 1 3 3 1 2 2 3 4 12 9 10 2 1 1 1 1 1 1 3 26 17 3 6 6 10 15 3 5 2 1 1 1 1 1 1 0 0 1 1 0 1 4 7 15 8 17 6 10 16 10 6 9 5 8 4 2 5 2 4 3 1 6 2 1 1 2 4 7 5 2 3 2 7 6 8 61 42 21 4 5 5 1 1 0 2 5 7 20 9 12 10 22 17 7 12 6 3 7 2 3 3 5 3 7 16 11 6 4 11 5 1 0 2 4 14 17 13 13 10 7 8 10 17 9 5 2 8 8 3 2 2 1 2 2 1 1 1 3 4 1 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 1 2 1 1 1 2 3 3 1 2 1 1 3 13 13 2 13 100 36 17 6 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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: 78 77 t 1H J 22 | 77 77 ddd 1H J 13 23 107 | 76 75 m 2H | 75 74 dd 1H J 69 106 | 74 73 ddt 2H J 23 38 80 | 73 72 m 1H | 52 52 d 2H J 9 | 36 36 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1CC[C@@H](c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)CC1
ir: 3 2 1 2 3 2 2 3 2 4 5 6 15 3 8 7 4 7 6 23 27 100 68 33 14 7 2 5 3 2 1 3 4 1 1 1 1 2 1 1 1 1 2 3 3 3 11 18 5 6 4 8 4 5 3 9 4 3 2 2 2 7 1 2 1 3 5 8 10 4 1 1 2 3 5 7 15 23 38 22 65 26 9 5 5 5 3 4 3 2 4 14 3 2 5 5 4 3 13 7 3 3 2 2 0 2 3 3 6 7 6 3 5 5 14 9 5 4 15 11 2 2 2 2 2 3 2 1 1 2 3 3 10 12 11 6 3 2 2 1 2 5 4 21 14 6 2 2 1 2 6 1 5 11 1 0 1 24 16 0 1 2 8 1 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 1 1 1 1 2 2 1 2 2 3 3 2 4 13 10 8 14 6 3 1 1 1 1 4 47 22 30 9 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 92 | 69 68 m 2H | 29 29 tt 1H J 41 63 | 22 22 m 1H | 20 18 m 4H | 17 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OC)c2[nH]c(C3CCCC3)nc12
ir: 6 3 5 11 11 16 9 9 7 3 6 5 8 4 3 7 3 6 8 12 5 8 7 11 14 52 100 39 11 18 8 4 3 1 2 4 15 3 6 3 3 4 14 4 5 2 2 4 5 3 2 5 12 15 45 38 6 5 5 3 4 2 3 3 4 6 17 15 2 0 2 4 1 1 4 2 2 2 2 3 3 1 3 1 1 1 3 4 8 2 3 2 2 2 4 4 8 9 42 25 17 5 16 9 1 4 8 14 21 21 16 12 11 13 6 3 4 9 5 6 9 6 7 8 7 15 8 6 7 11 14 39 16 4 7 17 52 7 2 3 14 5 18 28 25 38 100 41 10 6 5 10 46 35 5 4 5 1 50 2 3 5 42 3 1 3 2 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 4 3 2 1 6 5 3 4 6 7 5 19 14 14 29 18 32 42 27 7 7 5 2 4 3 3 2 2 2 3 3 1 2 2 2 1 5 4 3 2 4 13 20 23 93 32 15 5 5 3 3 3 4 2 2 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 99 99 s 1H | 79 78 d 1H J 88 | 70 69 d 1H J 88 | 41 41 s 3H | 39 39 s 3H | 29 28 p 1H J 36 | 21 20 m 2H | 19 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1cccc(N2CCN(Cc3ccccc3)CC2)c1
ir: 10 7 12 9 8 16 16 6 8 4 2 3 3 2 1 2 2 5 13 3 2 1 1 2 2 2 3 4 11 11 20 14 16 31 12 7 9 6 19 28 3 4 8 7 7 10 22 24 19 27 3 3 2 2 5 13 2 3 4 5 3 3 2 6 13 19 13 22 30 10 7 6 1 0 2 2 2 6 3 10 27 8 11 25 6 2 2 3 3 6 4 2 4 8 6 4 6 15 13 14 32 14 9 7 11 8 1 2 2 2 3 7 6 2 3 1 1 4 5 5 3 3 1 2 2 2 7 7 4 2 3 4 6 2 6 17 7 2 1 2 6 20 19 17 19 50 16 5 15 54 16 8 7 11 6 2 12 58 8 1 3 6 4 18 7 4 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 4 9 17 18 10 50 100 6 6 5 2 2 3 4 2 3 2 1 1 1 1 1 1 0 1 1 3 4 5 42 23 7 2 2 2 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 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; 1HNMR: 81 81 s 1H | 73 72 m 8H | 70 69 t 1H J 21 | 66 66 ddd 1H J 12 21 71 | 37 37 d 2H J 8 | 31 31 s 8H | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCc2[nH]c(=O)c(C#N)c(-c3ccc(F)cc3)c2C1
ir: 6 5 4 5 6 5 3 6 7 5 5 5 6 7 5 6 6 4 4 5 8 6 5 6 6 4 4 6 6 6 5 6 6 7 5 6 6 4 4 6 5 11 6 7 10 4 7 7 5 3 25 21 13 36 9 8 5 4 6 8 5 7 5 8 5 4 5 6 6 4 5 6 5 4 5 6 5 4 7 8 5 4 5 6 6 5 8 5 4 5 6 10 5 6 13 6 4 4 6 5 4 5 7 6 4 8 7 6 4 8 6 5 4 5 6 5 4 6 7 5 5 6 7 7 4 5 7 5 5 7 6 6 4 7 6 4 4 6 6 4 4 7 18 6 12 9 11 15 5 6 6 6 8 6 5 3 4 8 5 0 100 2 5 16 6 5 5 5 5 5 5 4 5 6 5 4 5 6 5 4 5 5 7 5 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 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 7 6 5 5 6 6 5 5 8 7 7 11 65 13 4 8 7 5 5 5 6 5 4 5 6 5 4 5 6 5 5 6 10 7 7 14 11 13 13 7 7 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4; 1HNMR: 77 76 m 2H | 72 71 m 2H | 29 28 ddd 1H J 56 82 146 | 28 26 m 2H | 25 25 dd 1H J 62 150 | 20 19 m 1H | 18 17 dddd 1H J 57 66 84 138 | 15 14 dddd 1H J 56 66 82 132 | 10 9 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCN(c2ccccc2C(F)(F)F)C1
ir: 15 18 10 13 32 13 4 6 10 5 7 7 12 9 7 9 11 6 5 7 8 3 3 6 6 4 4 9 7 3 2 6 6 2 4 8 5 3 3 6 8 9 52 51 16 4 5 8 8 1 5 8 4 1 5 9 5 0 6 14 13 5 16 22 12 6 10 30 9 15 9 8 8 8 25 19 7 2 9 13 5 31 29 21 25 42 45 23 44 18 41 25 33 33 14 23 12 16 68 100 24 14 11 10 20 12 25 15 11 11 15 10 13 13 9 6 3 6 10 14 14 10 15 10 2 8 7 4 6 8 5 4 3 5 6 4 5 43 36 2 2 7 6 7 25 23 7 7 18 31 10 3 3 6 5 3 7 6 4 3 5 9 5 2 4 6 4 2 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 3 4 6 6 7 5 9 7 4 7 13 12 14 8 12 9 7 8 47 35 21 27 92 43 26 7 15 12 14 45 42 32 16 15 12 10 5 8 10 6 7 8 9 5 4 7 6 5 4 6 7 6 5 8 7 4 5 6 5 3 4 7 5 3 4 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2; 1HNMR: 76 75 dddd 1H J 13 26 44 98 | 73 72 m 2H | 70 69 m 1H | 42 42 m 1H | 36 36 m 1H | 36 35 ddd 1H J 56 75 123 | 34 33 m 2H | 30 29 d 1H J 44 | 22 21 dddd 1H J 38 57 75 131 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCN2CCc3ccccc3C2C1
ir: 17 18 20 19 21 19 20 19 20 18 19 19 19 19 19 18 18 19 19 18 18 19 19 19 19 19 19 18 20 19 19 18 18 19 19 20 20 19 19 18 19 45 29 24 19 18 18 21 20 20 22 22 19 16 20 26 24 0 92 76 23 21 18 17 19 21 19 18 22 22 24 23 20 21 22 28 26 29 18 18 25 24 27 23 31 29 24 19 20 20 20 20 20 21 20 18 19 21 20 21 21 19 18 18 19 21 21 20 20 19 19 20 20 19 19 19 19 19 18 19 23 21 19 19 21 19 20 20 32 30 25 26 38 30 20 22 35 24 20 19 19 21 20 20 20 19 18 19 19 20 19 19 19 18 18 19 18 18 20 20 19 18 18 19 18 18 19 19 18 18 18 19 18 18 18 19 18 18 18 19 18 18 18 19 19 18 18 19 18 18 18 18 18 18 18 18 18 18 19 19 18 18 19 18 18 18 18 18 18 18 19 18 18 18 18 18 18 18 19 18 18 18 19 18 18 18 19 18 18 18 19 18 18 18 19 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 18 18 18 19 19 19 19 20 20 20 19 19 19 19 19 19 24 24 19 24 38 43 25 18 17 19 19 18 17 19 19 18 18 22 32 29 23 19 22 21 18 26 100 53 19 19 19 18 18 19 19 19 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 19 18 18 18 19 18 18 19 19 18 18 18 19 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18; 1HNMR: 72 71 m 3H | 71 70 ddd 1H J 20 70 82 | 35 35 m 1H | 32 31 m 2H | 29 28 m 2H | 28 28 ddd 1H J 38 65 119 | 28 27 dddd 1H J 8 39 62 136 | 27 26 ddd 1H J 57 83 125 | 23 22 ddd 1H J 48 62 135 | 21 19 m 2H | 19 18 d 2H J 56 | 17 16 dddd 1H J 39 55 82 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)n1nc2c(c1-c1ccc(F)cc1)CCNCC2
ir: 6 4 1 1 2 1 0 0 1 0 0 2 4 4 0 1 1 2 4 2 2 1 1 5 2 1 0 0 1 1 2 1 1 0 0 1 4 1 2 4 4 3 6 18 78 14 5 3 1 6 7 7 2 0 14 4 5 41 4 2 1 2 5 1 3 2 1 1 8 9 3 0 1 1 0 0 1 1 0 0 2 1 0 0 1 1 11 1 0 0 0 2 1 1 2 3 2 1 0 1 1 2 0 0 1 1 2 2 4 4 6 22 6 3 7 5 7 20 7 8 3 4 5 4 4 4 2 1 2 2 2 6 24 10 4 5 2 8 10 0 1 2 4 25 1 1 1 2 4 12 3 8 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 3 2 2 1 1 2 1 3 3 9 8 2 6 17 17 4 1 0 1 2 1 1 1 1 0 0 1 1 1 0 1 2 100 40 16 3 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; 1HNMR: 76 75 m 2H | 72 71 m 2H | 46 45 tt 1H J 46 55 | 44 43 ddtt 1H J 14 28 42 57 | 31 30 m 4H | 29 29 t 2H J 57 | 28 27 t 2H J 53 | 19 18 dqd 2H J 42 71 141 | 16 15 m 2H | 10 9 td 6H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCC2=NNC(=O)C2)cc1
ir: 14 9 8 21 30 50 12 10 9 4 2 4 6 8 13 29 54 9 13 5 6 6 52 34 47 14 13 8 8 19 11 2 0 3 3 1 1 1 0 1 1 1 2 4 2 3 4 8 3 2 3 9 6 6 18 18 20 6 5 4 3 2 1 4 19 26 9 5 2 3 10 1 1 1 2 19 3 1 12 2 1 2 1 5 7 4 4 2 4 1 3 2 7 6 2 4 11 15 6 6 12 3 2 5 6 5 8 6 2 3 8 5 11 4 3 89 25 9 5 5 13 22 19 5 4 15 27 10 21 13 11 7 8 8 7 10 13 4 1 2 2 10 23 100 32 18 4 1 2 67 17 9 14 4 3 3 5 22 9 4 2 1 4 2 1 0 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 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 2 2 4 17 7 5 3 3 2 2 3 7 14 24 7 42 81 7 4 4 3 1 3 1 1 2 2 1 1 1 1 0 1 2 1 3 2 7 9 30 54 37 16 14 8 4 2 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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: 80 79 m 2H | 72 72 dq 2H J 9 80 | 39 39 s 3H | 32 31 s 2H | 30 29 ddq 2H J 9 74 83 | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2cnc3ccccc3c2n1CC(C)(C)OCCS(C)(=O)=O
ir: 4 9 15 9 7 15 26 10 1 7 11 6 2 8 11 4 2 11 14 4 2 14 12 5 4 9 10 3 3 11 9 2 3 9 9 2 5 15 12 2 5 14 26 7 17 15 10 2 7 21 15 2 7 12 6 0 10 17 6 1 7 15 9 0 7 11 5 1 11 26 15 2 9 12 6 5 11 13 3 1 9 11 2 1 13 18 7 100 3 26 27 13 13 7 6 5 7 12 7 9 15 14 7 10 19 24 14 7 11 7 3 7 12 8 1 7 13 9 4 12 20 16 12 12 14 9 4 8 10 7 15 10 10 4 3 13 20 13 13 30 12 9 5 9 8 4 7 13 13 14 13 15 16 3 4 11 19 5 6 11 8 2 5 10 6 2 9 13 6 1 5 10 5 1 6 10 5 1 6 10 5 2 6 9 4 2 7 9 4 2 7 8 4 2 7 8 3 3 8 8 3 3 8 7 3 4 8 7 2 4 8 7 2 4 9 6 2 4 9 6 2 5 9 6 1 5 10 5 1 5 10 5 1 6 9 5 2 6 9 5 2 6 9 4 2 7 8 4 3 7 8 4 3 7 8 3 3 8 8 4 4 8 8 3 4 8 7 2 5 12 10 4 6 10 9 6 6 13 7 3 7 15 36 31 44 29 18 33 21 17 9 5 9 12 6 3 7 9 5 2 6 8 4 3 7 8 4 3 7 8 4 3 7 7 3 4 7 7 3 4 8 7 3 4 8 6 3 4 8 6 2 5 8 6 2 5 9 6 2 5 9 5 2 5 9 5 2 6 9 5 2 6 8 5 3 6 8 4 3 6 8 4 3 7 7 4 3 7 7 4 4 7 7 3 4 7 7 3 4 7 6 3 4 8 6 3 5 8 6 3 5 8 6 2 5 8 5 2 5 9; 1HNMR: 90 90 s 1H | 84 83 dd 1H J 14 79 | 81 81 dd 1H J 14 81 | 77 77 ddd 1H J 13 69 81 | 77 76 ddd 1H J 13 69 82 | 41 41 s 2H | 39 38 t 2H J 79 | 33 33 t 2H J 80 | 31 30 s 3H | 28 27 q 2H J 71 | 13 13 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC=CCCCCCC
ir: 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 6 13 9 2 5 2 4 6 8 40 100 34 18 15 10 11 9 7 5 2 1 2 4 3 2 3 3 2 3 3 10 10 2 5 5 2 2 3 2 3 5 2 3 3 2 3 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 7 5 3 7 3 4 7 6 10 21 35 62 28 18 12 18 19 10 17 12 16 30 35 20 15 14 13 10 15 9 11 8 12 14 17 8 5 9 11 8 9 11 27 21 6 4 4 2 2 2 1 1 1 1 1 1 2 2 0 10 18 2 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 6 9 16 8 25 9 15 9 11 7 14 9 11 23 54 89 97 63 30 12 2 2 4 2 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 55 53 m 2H | 20 19 m 4H | 14 13 m 4H | 13 12 m 6H | 10 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)CCN(c2cc(Cl)c3cc(C4CC4)ccc3n2)Cc2ccccc21
ir: 14 24 4 9 3 6 8 11 25 7 4 4 5 3 2 2 3 1 1 2 2 2 2 9 3 7 2 5 6 2 2 2 4 2 3 3 13 8 7 4 5 6 100 9 4 2 9 4 6 2 4 4 5 4 7 34 23 16 5 5 3 2 3 4 3 6 28 9 10 10 3 4 2 15 6 4 4 7 3 2 3 4 0 91 10 17 66 11 6 8 11 7 2 1 7 9 3 3 7 5 3 4 11 8 4 11 26 18 11 5 10 5 1 2 5 5 2 7 6 4 12 5 7 3 4 6 6 4 1 4 6 3 4 10 5 2 4 4 8 17 30 7 6 2 2 3 2 2 24 8 4 12 35 13 3 4 6 4 11 40 10 7 3 0 1 3 3 1 2 3 2 0 1 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 2 2 1 2 15 9 2 1 2 3 3 4 9 19 5 12 97 94 13 8 10 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 80 79 dd 2H J 19 79 | 78 77 d 1H J 82 | 75 74 m 3H | 74 73 m 1H | 68 68 s 1H | 49 48 d 2H J 6 | 39 38 t 2H J 89 | 35 34 t 2H J 89 | 27 26 m 1H | 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.
CC(C)(C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
ir: 6 4 4 3 5 3 6 8 27 14 7 6 7 26 10 12 4 2 2 1 2 11 2 1 1 2 4 4 2 4 4 11 29 24 8 29 22 9 15 11 15 8 33 10 8 5 10 8 15 3 2 1 1 3 2 2 3 2 1 2 2 3 2 5 9 57 13 8 24 8 4 0 7 2 2 1 3 4 4 8 3 4 8 2 20 7 8 100 12 5 15 14 23 3 2 2 2 2 7 17 74 5 2 2 2 1 0 2 4 4 3 11 23 89 14 8 8 9 4 9 5 10 19 14 6 10 7 99 5 5 5 4 5 26 26 25 2 7 5 16 9 7 9 47 13 9 13 29 9 3 3 6 4 3 2 2 1 0 1 1 3 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 3 2 2 3 4 5 2 2 3 3 3 8 16 6 26 55 33 11 2 0 3 4 1 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 t 1H J 22 | 78 78 ddd 1H J 13 22 71 | 78 77 ddd 1H J 13 22 105 | 76 76 dd 1H J 71 104 | 75 74 m 5H | 38 38 ddd 2H J 56 84 121 | 35 34 ddd 2H J 56 83 121 | 22 21 dddt 1H J 15 58 73 88 | 21 20 dddd 2H J 56 74 82 119 | 18 17 dddd 2H J 57 75 84 121 | 14 13 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CC2CCN(C3CCCCC3)CC2)cc1
ir: 3 9 15 5 2 1 1 1 1 1 8 3 1 2 4 3 0 0 1 4 3 1 2 1 1 0 1 1 3 14 31 29 25 2 1 5 5 7 7 18 91 84 16 3 1 7 5 23 10 8 2 1 3 8 3 6 5 2 6 3 2 1 2 2 2 1 3 6 34 46 3 1 4 3 3 6 3 3 23 1 1 3 2 7 49 14 6 3 7 70 21 29 9 7 1 2 4 2 13 9 6 5 5 7 7 8 7 9 16 14 15 13 5 8 8 8 6 12 2 9 7 4 3 3 16 5 4 3 8 7 2 4 2 7 28 22 10 21 4 4 2 4 13 26 8 7 5 5 3 1 2 22 4 2 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 1 1 2 4 4 8 10 13 5 3 1 9 7 4 8 70 37 65 100 38 6 10 2 1 3 2 1 2 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 73 72 m 1H | 72 71 dq 2H J 9 70 | 30 29 ddd 2H J 56 84 120 | 27 26 m 5H | 19 18 m 3H | 18 17 m 2H | 16 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1(c2ccc(C3CCCC3)cc2)CC1
ir: 9 2 1 2 4 3 2 3 5 4 3 11 11 5 14 12 32 51 27 67 100 57 83 20 19 15 8 7 5 4 2 5 3 2 4 4 6 3 6 4 7 12 10 10 7 4 3 5 3 2 7 4 10 10 22 14 14 10 3 5 4 3 6 10 5 0 2 4 3 7 12 6 6 7 6 8 20 43 37 53 7 5 20 11 14 4 12 10 5 4 6 8 3 9 21 48 8 8 4 5 1 1 2 2 1 2 4 6 4 10 12 3 1 5 9 3 2 4 6 6 6 13 16 17 25 11 5 9 4 5 4 3 2 4 4 1 1 3 4 5 5 7 4 31 29 43 26 5 17 52 32 43 11 22 3 3 2 1 2 2 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 2 1 2 3 3 3 2 4 8 6 10 12 9 33 54 26 31 9 15 19 6 5 2 5 20 8 12 2 2 2 2 2 1 1 1 2 1 0 1 2 1 0 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 2 1 0 1 2 1 0; 1HNMR: 73 72 m 2H | 72 71 m 2H | 28 28 qd 1H J 40 47 | 19 18 m 2H | 18 17 m 2H | 17 16 m 6H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CC(CC#N)C1c1ccccc1
ir: 1 1 1 1 1 1 1 1 5 11 3 3 3 3 5 6 9 10 17 21 5 2 16 2 3 2 5 4 2 8 10 42 10 6 2 4 3 4 6 13 100 57 14 5 1 2 2 1 2 2 2 1 2 24 10 3 1 2 4 1 1 2 1 0 1 2 3 7 4 11 4 15 3 5 6 1 3 2 9 2 6 1 1 1 1 1 2 2 6 18 23 7 2 1 1 1 1 5 2 2 12 5 4 14 8 7 6 6 4 2 1 1 2 1 3 5 16 4 11 10 11 37 10 25 5 4 3 10 2 3 7 11 16 3 4 40 2 2 1 2 2 2 10 91 11 2 8 6 14 98 11 0 12 3 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 9 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 7 3 2 3 4 2 12 14 21 17 17 91 17 27 5 1 1 3 2 2 2 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 5H | 47 47 m 1H | 29 29 d 3H J 15 | 28 27 dd 1H J 46 104 | 27 26 dd 1H J 53 141 | 26 26 dddd 1H J 47 54 62 99 | 25 25 dd 1H J 47 104 | 25 24 dd 1H J 54 142
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ON=Cc1cccc(OC(F)(F)C(F)F)c1
ir: 4 7 35 67 10 11 5 7 4 7 6 6 8 4 2 6 3 7 7 2 2 7 8 3 3 4 2 2 1 2 3 3 2 4 1 2 4 8 7 2 1 1 0 1 1 0 4 28 28 3 3 1 2 0 1 1 1 1 1 1 1 1 1 1 3 5 9 13 18 17 5 7 2 5 11 46 11 11 4 8 3 3 1 1 1 2 6 3 2 2 2 5 5 16 2 1 3 4 5 45 3 4 15 6 2 1 1 1 1 2 6 6 1 1 1 1 0 1 1 1 2 1 2 1 1 1 3 5 1 1 0 0 0 0 0 1 0 2 3 19 4 3 1 1 1 1 1 2 9 12 2 0 3 4 3 2 9 2 1 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 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 2 1 1 1 1 0 1 3 3 5 11 53 25 5 5 3 1 1 8 65 100 6 8 1 2 3 3 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 91 91 s 1H | 82 82 s 1H | 74 73 m 2H | 73 72 dd 1H J 18 25 | 71 71 dt 1H J 25 66 | 60 59 t 1H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=C2N=C(c3cccs3)OC2=O)cn1
ir: 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 1 1 1 1 1 1 2 2 19 3 2 1 1 1 2 2 9 1 3 14 26 2 1 1 1 1 1 1 1 2 4 7 10 13 5 2 3 1 1 1 1 1 1 5 1 1 1 1 2 2 7 2 1 1 1 2 2 1 1 1 2 1 1 1 9 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 11 9 3 1 1 1 1 7 1 1 1 1 1 5 6 2 1 3 6 6 1 1 2 63 4 4 10 89 5 5 1 2 2 1 1 1 6 4 2 2 2 100 2 0 1 3 13 12 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 15 5 4 11 2 15 5 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; 1HNMR: 84 84 d 1H J 22 | 78 77 dd 1H J 20 85 | 76 76 m 1H | 75 75 s 1H | 73 73 m 2H | 71 70 d 1H J 84 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1
ir: 1 2 4 3 2 2 3 2 1 2 3 2 5 4 4 2 2 3 9 7 2 2 7 3 2 5 6 3 2 2 2 1 1 3 12 3 1 3 3 1 6 49 25 3 3 9 8 6 4 6 4 4 2 1 16 60 5 6 2 1 3 4 7 4 3 5 1 1 2 4 7 1 3 3 3 2 3 3 1 0 3 4 1 0 4 5 10 23 80 26 25 8 4 3 2 2 5 3 2 1 1 2 2 2 2 4 5 3 2 1 1 1 1 1 2 1 5 4 2 2 3 3 3 3 2 5 5 4 4 4 1 1 1 1 1 1 1 1 2 3 5 46 1 2 2 1 1 7 7 21 11 7 8 5 2 2 2 1 1 2 1 1 10 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 3 3 3 2 6 8 62 100 20 4 4 2 3 2 6 51 22 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H | 73 72 m 2H | 70 70 m 2H | 69 68 m 2H | 60 60 m 1H | 45 45 d 1H J 55 | 38 38 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CN2CCN[C@H](Cc3nc4ccccc4[nH]3)C2)cc1
ir: 0 2 6 6 3 6 3 4 0 4 3 9 6 11 4 4 2 3 2 2 7 32 100 22 15 4 8 4 6 3 6 3 6 3 2 1 2 6 29 24 7 15 38 28 36 24 10 10 14 2 4 6 12 8 3 5 12 2 2 1 2 3 3 3 4 3 24 42 25 24 2 4 1 1 2 2 4 4 4 1 3 35 3 1 6 9 12 1 2 20 1 2 4 8 1 4 4 3 5 5 9 13 3 4 5 18 55 4 1 6 2 3 6 6 4 12 7 9 74 2 1 16 3 5 6 5 4 2 3 1 3 7 11 7 30 28 2 4 1 3 6 2 4 24 6 9 17 3 1 1 1 4 22 1 1 1 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 2 1 2 3 2 1 2 1 2 2 2 6 6 6 26 40 1 3 2 1 2 2 2 2 1 2 2 1 3 1 3 2 5 22 48 60 6 2 5 14 14 31 13 6 3 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; 1HNMR: 90 90 s 1H | 75 75 m 1H | 75 74 m 1H | 73 72 m 5H | 72 71 m 2H | 39 38 dt 1H J 29 74 | 36 35 m 2H | 35 34 qdd 1H J 22 49 74 | 30 29 dd 1H J 22 115 | 29 27 m 6H | 27 26 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCN(c2ccc3c(=O)[nH]cnc3c2)CC1
ir: 3 3 4 3 3 3 2 3 3 3 2 3 3 3 3 4 6 12 4 3 3 3 3 3 3 3 4 3 3 2 3 3 3 3 21 14 3 3 3 3 3 3 3 5 10 10 4 4 4 5 19 13 8 13 4 19 15 19 5 6 11 9 5 4 4 5 5 7 9 5 4 3 6 4 9 6 5 3 3 3 5 7 4 4 3 3 3 3 6 4 5 4 4 4 3 3 5 7 7 5 4 3 4 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 5 3 5 3 8 7 10 7 8 20 8 11 14 11 5 4 3 3 3 3 6 7 4 3 2 3 5 6 3 3 3 3 3 3 3 3 0 100 24 5 3 13 16 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 5 3 3 8 10 5 3 3 3 2 3 3 3 3 4 6 7 15 16 8 6 4 5 5 6 22 23 19 9 5 4 3 4 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 85 d 1H J 71 | 81 80 d 1H J 74 | 70 69 d 1H J 21 | 68 68 dd 1H J 22 73 | 35 34 ddd 2H J 57 84 128 | 33 32 ddd 2H J 56 83 130 | 31 30 m 1H | 20 19 m 2H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1C(=O)/C=C/N(C)C
ir: 6 3 0 1 2 2 6 5 4 1 12 6 3 5 6 3 2 1 0 1 1 0 0 1 1 0 0 2 3 4 5 4 5 4 1 2 1 0 2 9 6 6 21 22 5 2 1 1 1 0 1 5 4 0 1 1 1 1 1 1 1 0 1 1 1 1 3 10 3 2 2 2 2 1 5 4 2 2 2 4 2 1 4 26 8 8 10 4 2 1 6 10 3 1 2 2 1 1 3 2 0 1 3 2 1 8 10 8 6 4 2 5 16 24 8 2 1 5 2 2 4 7 5 2 0 1 3 2 3 2 2 1 1 2 4 5 5 17 21 8 3 5 15 95 100 6 3 6 6 1 1 1 2 1 1 1 1 1 2 5 4 1 1 1 3 8 3 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 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 1 1 1 0 1 1 1 0 1 1 1 1 2 8 8 16 14 30 19 6 3 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 80 79 ddd 2H J 16 80 142 | 76 75 td 1H J 16 78 | 75 74 m 2H | 64 63 d 1H J 139 | 39 39 s 3H | 29 29 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CN)NS(=O)(=O)c1cccc2cnccc12
ir: 12 25 4 4 7 6 4 10 4 1 2 4 13 17 2 26 0 10 4 6 1 1 1 1 1 2 1 12 1 1 1 1 1 1 1 1 2 3 1 1 1 4 12 7 17 15 73 3 1 2 4 9 48 1 1 8 16 28 34 8 2 0 1 3 11 16 3 1 13 17 6 60 23 4 38 20 15 38 52 10 100 7 6 14 36 66 5 16 18 2 3 2 3 13 2 1 3 7 3 8 55 78 13 6 2 4 4 2 3 1 5 2 24 2 2 3 3 7 5 3 4 4 10 5 3 4 2 10 21 22 4 2 14 21 58 69 31 8 25 4 0 3 2 1 1 2 6 3 6 3 1 1 2 2 1 1 1 8 10 0 1 1 1 1 1 2 15 1 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 2 1 0 1 2 1 0 2 6 7 7 4 21 46 8 9 3 1 0 1 2 2 0 2 13 14 30 46 49 5 2 4 7 45 70 19 0 4 4 3 6 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0; 1HNMR: 93 92 t 1H J 17 | 87 87 dd 1H J 13 46 | 81 80 m 2H | 80 80 m 1H | 77 76 t 1H J 85 | 57 57 d 1H J 95 | 34 33 dqt 1H J 44 65 95 | 29 28 dtd 1H J 44 62 107 | 27 26 dtd 1H J 43 62 107 | 19 19 t 2H J 62 | 12 12 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)NC1CC1
ir: 0 1 1 1 2 2 4 7 20 3 3 2 2 2 2 4 1 2 4 6 5 9 11 5 6 11 19 100 81 16 2 4 8 6 21 12 3 13 5 5 47 7 2 3 2 3 4 1 1 3 2 4 29 22 7 7 3 12 3 1 2 2 1 3 2 3 3 11 4 3 1 1 1 2 11 1 1 1 1 9 4 7 30 15 10 6 2 3 1 1 4 1 2 2 2 1 6 12 2 7 4 17 9 1 2 4 2 6 5 8 16 3 6 14 7 7 4 3 3 8 12 5 0 2 3 2 1 2 3 4 8 6 3 2 3 6 5 82 21 4 1 11 46 3 43 85 12 3 9 6 10 10 10 33 6 8 3 17 1 2 50 9 17 1 1 1 2 3 24 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 3 2 1 2 5 6 4 9 5 20 4 41 15 19 14 8 3 1 1 1 1 0 0 1 2 1 0 1 2 2 1 5 6 0 67 11 4 3 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 m 2H | 83 82 m 2H | 78 78 d 1H J 104 | 76 76 d 1H J 75 | 75 74 m 1H | 70 69 d 1H J 70 | 67 66 d 1H J 104 | 51 51 m 1H | 37 36 m 1H | 35 35 m 1H | 29 28 dp 1H J 45 75 | 24 23 m 1H | 21 20 m 2H | 20 19 m 1H | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cc(F)ccc1CCC=O
ir: 5 5 5 5 5 6 5 5 5 5 9 12 11 6 5 5 6 7 8 5 5 5 5 5 5 5 5 4 4 5 5 6 5 5 5 5 5 6 11 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 18 13 6 6 9 6 5 7 5 5 9 27 16 10 6 6 5 5 4 5 5 5 5 5 6 9 7 8 8 0 62 100 5 7 6 5 4 6 7 8 9 11 5 4 5 6 5 6 8 11 13 16 7 5 5 5 5 6 6 5 6 6 7 6 6 8 7 8 7 5 5 5 5 5 5 5 5 5 4 4 5 5 5 5 5 5 11 10 7 5 5 5 8 6 11 6 5 6 5 7 5 5 4 5 5 5 5 5 5 5 4 4 5 5 4 4 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 4 5 5 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 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 5 5 6 5 5 6 5 5 5 5 5 5 6 5 11 14 7 14 11 15 15 6 6 5 5 5 5 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 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 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 4 4 4 5 4 4 4 5; 1HNMR: 97 97 tt 1H J 9 53 | 75 75 dd 1H J 21 121 | 73 72 ddt 1H J 9 46 80 | 71 71 ddd 1H J 22 81 102 | 32 32 s 2H | 31 30 tt 2H J 9 83 | 26 26 td 2H J 55 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=O)NCC(=O)O
ir: 1 2 5 4 2 4 7 7 12 40 31 12 5 14 22 12 7 15 34 29 34 31 94 21 39 16 48 33 37 7 67 67 41 51 38 21 10 13 9 6 6 9 9 4 7 11 15 6 5 5 6 4 6 11 5 5 5 6 4 2 3 6 4 2 4 5 3 3 4 3 4 4 4 4 8 6 9 21 50 79 75 27 12 12 8 5 5 3 4 3 2 2 6 5 5 6 14 9 6 5 7 6 4 3 4 4 2 3 7 6 5 8 11 10 8 5 8 12 24 10 6 10 29 55 100 58 25 12 9 5 3 4 4 5 6 6 4 3 5 8 12 68 42 12 95 22 19 88 61 20 3 8 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 3 1 2 3 3 2 2 4 3 2 2 4 3 2 3 6 11 8 9 6 4 3 4 8 15 21 14 10 5 2 5 5 4 0 4 10 2 62 66 41 41 8 3 1 3 4 3 3 4 8 23 40 32 36 31 8 19 15 8 8 7 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 72 71 t 1H J 65 | 41 40 d 2H J 66 | 23 22 t 2H J 88 | 16 15 m 2H | 14 13 m 2H | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2c1c(-c1ccc(CO)cc1)cc1[nH]c3ccc(O)cc3c21
ir: 2 2 2 2 2 2 3 3 4 3 2 4 4 2 1 2 3 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 3 3 1 2 3 2 1 2 3 4 13 4 2 2 2 2 2 3 5 16 12 3 2 2 2 2 2 2 2 3 6 7 8 3 2 2 2 1 2 2 2 2 2 2 2 2 4 4 22 15 14 10 9 5 3 10 4 3 2 1 2 3 5 3 1 2 2 1 2 2 2 2 2 2 3 0 7 2 6 2 2 1 3 8 4 3 2 2 3 3 5 2 4 2 1 1 2 1 1 1 1 2 4 2 1 4 2 1 2 2 17 2 5 5 2 2 1 2 4 5 4 3 2 2 1 5 43 4 4 4 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 4 2 2 2 3 5 7 30 5 2 6 5 3 2 8 100 25 7 3 1 2 2 2 2 2 2 1 2 2 3 2 55 5 7 5 3 3 2 1 2 2 1 2 2 2 2 2 2 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 86 86 s 1H | 81 81 s 1H | 80 80 d 1H J 23 | 76 75 m 2H | 74 74 d 1H J 77 | 73 73 dq 2H J 9 84 | 68 68 dd 1H J 22 77 | 46 45 dt 2H J 9 57 | 28 27 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)[C@H]1Cc2c(I)ccc3c2[C@@H](CN3)C1
ir: 8 9 8 9 5 3 3 5 3 3 3 4 3 4 4 5 20 5 9 14 3 5 5 4 5 2 2 2 2 2 3 7 3 2 2 2 1 3 2 1 1 2 3 2 8 2 3 3 4 2 2 1 4 59 16 5 5 4 7 3 13 17 7 3 2 11 3 4 19 3 3 4 3 2 2 2 2 11 2 2 2 2 2 6 12 7 5 5 5 10 30 6 6 11 6 8 4 6 2 3 4 4 1 3 25 7 1 64 17 6 17 4 2 7 2 3 1 6 10 12 11 11 6 4 5 10 6 3 4 8 19 22 6 6 9 13 23 17 4 7 6 4 17 6 7 4 2 1 6 2 1 2 2 40 8 0 1 3 9 12 5 4 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 3 4 3 2 2 3 6 5 2 2 3 5 2 5 5 15 11 17 5 21 8 6 5 3 2 2 2 1 1 2 3 1 1 3 2 1 2 4 5 1 9 28 100 72 24 13 7 6 6 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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; 1HNMR: 74 74 d 1H J 77 | 66 65 d 1H J 77 | 38 37 ddd 1H J 22 46 123 | 35 35 dt 1H J 42 123 | 32 32 dtd 1H J 19 39 62 | 32 31 t 1H J 44 | 30 30 dd 1H J 79 141 | 30 29 tp 1H J 27 81 | 28 27 dd 1H J 51 141 | 27 26 dt 2H J 66 121 | 26 25 dt 2H J 66 121 | 21 20 ddd 1H J 38 57 131 | 19 18 ddd 1H J 65 84 131 | 16 14 m 4H | 10 9 t 6H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccccc2)sc1-c1ccc2c(c1)CC(=O)N2
ir: 7 12 28 15 13 19 61 47 11 9 15 19 12 16 15 9 4 12 24 53 54 37 26 39 79 38 20 16 7 12 15 13 20 30 25 5 6 15 11 6 26 69 38 6 5 18 11 0 19 18 12 10 15 36 83 79 15 17 9 2 7 16 8 1 8 15 24 16 30 27 11 19 13 10 9 9 15 17 21 26 27 17 6 7 20 24 7 7 12 10 3 5 12 14 6 17 13 12 28 10 13 21 37 13 13 9 6 20 32 11 3 7 12 7 3 13 24 11 4 12 15 11 8 18 18 23 38 32 18 7 4 17 20 6 8 22 27 4 3 10 12 15 25 20 17 14 5 10 10 13 7 11 20 7 12 36 93 75 22 15 10 3 21 16 8 1 7 12 7 0 7 12 6 1 7 12 6 1 7 11 5 1 7 11 5 2 8 10 5 2 8 10 4 3 8 9 4 3 9 9 4 4 9 9 3 4 9 8 3 4 10 8 3 5 10 7 2 5 10 7 2 6 11 7 2 6 11 6 1 6 11 6 1 7 11 5 2 7 10 5 3 7 10 5 3 8 10 5 3 8 9 4 3 8 9 4 4 9 9 4 4 9 8 4 5 10 8 3 6 11 9 4 6 12 9 5 8 13 9 3 8 17 10 15 24 41 53 100 61 42 23 19 10 10 6 4 8 10 6 3 8 11 6 4 9 10 9 15 15 12 10 23 32 22 8 8 12 10 6 5 10 8 4 6 9 7 3 5 9 7 3 6 11 7 3 6 10 6 2 6 10 6 2 6 10 6 2 6 10 6 3 7 9 5 3 7 9 5 3 7 9 5 4 8 9 5 4 8 8 4 4 8 8 4 5 8 8 4 5 9 7 4 5 9 7 3 5 9 7 3 6 9 7 3 6 9 6 3 6 10; 1HNMR: 80 79 m 2H | 77 76 dt 1H J 9 21 | 75 74 m 4H | 74 73 dd 1H J 22 79 | 72 72 d 1H J 79 | 34 34 d 2H J 7 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1
ir: 5 10 9 2 4 2 10 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 9 11 25 8 5 0 4 5 3 1 3 6 2 1 1 1 1 1 2 7 3 2 3 2 2 12 11 2 5 37 70 60 55 43 2 11 10 4 2 6 5 6 4 3 6 14 7 4 2 1 2 3 2 1 4 2 2 5 3 4 7 2 3 3 5 5 5 3 1 0 0 3 12 6 11 11 5 10 1 1 3 13 7 3 3 3 7 3 1 3 20 18 6 2 1 3 3 7 6 6 4 2 2 3 3 6 2 2 2 1 1 1 1 2 10 11 9 2 2 3 9 2 5 8 16 3 10 16 35 11 100 61 46 14 4 3 5 19 17 10 16 6 5 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 5 7 14 22 40 27 13 9 5 3 1 3 3 30 3 2 1 1 1 1 1 1 1 1 2 4 4 5 12 10 77 18 4 3 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; 1HNMR: 80 79 d 1H J 111 | 77 77 m 1H | 75 75 t 1H J 65 | 75 74 dq 1H J 9 19 | 70 70 ddd 1H J 22 84 104 | 69 69 m 1H | 68 68 dd 1H J 47 83 | 61 61 dd 1H J 13 68 | 61 60 d 1H J 14 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
ir: 0 7 7 6 8 5 8 5 3 6 8 5 0 3 3 2 2 3 6 2 2 8 7 9 55 47 25 25 10 18 9 12 11 13 17 13 9 73 75 32 23 12 9 8 6 4 4 4 2 4 7 4 4 5 3 2 5 8 3 5 2 8 5 5 2 12 10 8 4 4 2 1 5 5 4 2 4 3 2 1 2 4 3 1 2 2 1 1 2 3 1 2 4 6 2 2 4 7 6 2 10 9 8 5 7 7 11 18 14 11 12 7 11 13 19 12 16 15 21 18 26 22 42 32 23 20 23 9 7 5 2 8 4 7 4 4 3 2 3 3 6 14 34 100 74 37 52 29 27 11 2 5 2 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 4 4 3 6 8 10 10 4 8 11 10 10 14 30 35 4 4 4 2 2 2 1 2 2 1 1 1 2 1 2 2 2 2 3 3 2 2 5 7 26 31 57 48 17 15 8 6 3 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 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 t 1H J 60 | 42 41 t 2H J 57 | 40 39 m 2H | 25 24 dt 1H J 62 101 | 20 19 ddd 1H J 62 73 137 | 19 18 ttdd 1H J 16 30 65 81 | 18 17 m 4H | 17 16 m 1H | 17 16 m 1H | 15 14 m 2H | 13 12 dddd 1H J 54 62 79 130 | 10 8 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(Cl)c1
ir: 2 3 4 6 8 9 3 6 13 3 2 3 3 29 4 2 1 7 5 2 16 9 9 25 17 3 5 12 9 3 3 3 3 5 8 34 11 55 21 30 4 23 45 8 22 25 28 17 30 20 11 11 7 32 59 37 4 37 8 3 1 2 1 1 2 3 4 5 2 4 10 10 4 1 1 1 5 3 2 6 4 7 6 2 3 1 3 6 9 4 4 3 2 3 4 5 2 9 3 9 0 1 2 2 2 6 8 19 7 2 5 33 11 85 16 5 1 24 4 9 1 6 2 8 15 5 3 4 2 1 2 5 9 16 15 25 19 5 3 1 2 5 20 38 23 21 26 16 62 11 14 18 18 12 36 21 100 9 3 4 24 12 9 4 5 1 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 5 4 10 21 58 29 9 15 9 3 2 1 2 1 1 1 2 3 3 2 2 5 11 7 6 15 51 79 56 71 37 34 8 6 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 92 92 t 1H J 16 | 91 91 d 2H J 16 | 82 82 d 1H J 19 | 80 79 t 1H J 53 | 79 78 s 1H | 74 73 dt 1H J 9 74 | 73 72 dd 1H J 18 77 | 72 72 s 1H | 72 71 m 1H | 71 70 m 1H | 70 70 d 1H J 79 | 44 44 dd 2H J 8 54 | 23 23 s 3H | 20 19 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CC(=O)O)cc3)nc21
ir: 3 4 4 5 5 4 4 4 5 4 4 6 10 8 8 7 5 5 7 8 14 45 29 15 9 7 12 11 13 5 4 5 5 6 6 5 5 3 13 63 15 6 6 8 11 60 18 35 7 9 5 5 4 4 5 3 11 39 5 4 4 4 3 3 4 4 3 3 3 5 4 3 3 4 4 3 8 7 10 15 5 5 4 4 6 7 4 6 6 8 5 9 5 4 3 4 10 11 9 6 6 10 7 13 16 7 7 5 3 3 6 3 3 3 4 3 4 4 4 5 4 4 4 4 3 4 6 7 9 4 6 5 5 4 4 4 5 7 15 9 11 32 12 14 7 9 41 11 5 7 18 22 27 16 13 100 9 0 2 6 4 1 3 27 6 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 4 3 3 4 4 6 6 7 12 22 13 10 7 5 4 4 4 14 48 25 14 7 4 5 5 4 4 3 3 3 4 4 7 15 30 35 33 11 4 4 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 90 89 s 1H | 85 85 s 1H | 84 84 s 1H | 75 75 d 2H J 83 | 74 73 dd 1H J 77 88 | 73 72 m 5H | 36 36 s 3H | 34 34 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C(=O)OC)C(=O)C(C)(C)C
ir: 40 32 19 41 53 15 17 14 17 13 1 8 13 6 3 7 11 4 2 8 11 8 9 16 42 11 5 9 12 6 5 10 9 5 4 18 9 3 4 10 8 4 7 12 7 1 5 10 6 1 6 11 7 1 6 13 7 2 6 12 8 20 16 21 10 4 13 13 8 7 13 12 5 2 8 12 6 3 8 9 4 4 14 10 3 3 8 9 3 3 9 8 2 5 14 13 4 10 13 10 3 6 11 8 2 6 13 17 3 7 10 7 4 8 17 13 7 25 25 20 13 20 45 42 51 100 36 9 19 51 29 19 11 20 15 8 5 13 14 3 9 25 59 67 95 48 23 16 6 10 9 3 4 10 7 2 4 10 7 1 4 10 6 1 5 10 6 0 5 11 6 0 5 10 5 1 6 10 5 1 6 10 4 1 7 9 4 2 7 9 4 2 7 8 3 2 8 8 3 3 8 8 3 3 8 7 2 4 9 7 2 4 9 7 2 4 9 6 1 5 9 6 1 5 10 6 1 5 10 5 1 6 10 5 1 6 10 5 1 6 9 4 2 7 9 4 2 7 9 4 3 7 8 4 3 7 8 3 4 8 8 3 4 9 8 4 5 9 8 4 6 13 8 4 6 13 8 7 7 10 12 13 21 26 20 11 13 12 6 3 7 10 5 2 6 10 5 2 7 9 4 2 7 8 4 3 7 8 4 3 7 8 3 3 8 8 3 4 8 7 3 4 8 7 3 4 8 6 2 4 9 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 2 6 8 4 2 6 8 4 3 7 8 4 3 7 8 4 3 7 7 3 4 7 7 3 4 8 7 3 4 8 6 3 4 8 6 3 5 8 6 2 5 9 6 2 5 9 5 2; 1HNMR: 48 48 s 1H | 38 37 s 6H | 12 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)ccc1OC(C)c1c(Cl)ccc(F)c1Cl
ir: 34 38 12 22 10 11 6 5 3 6 4 5 5 7 8 3 3 3 6 7 3 4 3 5 5 3 3 4 3 2 3 2 4 3 4 3 3 2 2 2 3 2 4 3 3 2 3 2 2 5 2 4 9 52 36 8 4 2 3 2 2 2 2 2 4 5 5 3 2 4 6 15 4 8 3 2 3 2 6 89 32 3 3 3 2 2 3 5 3 2 3 24 2 3 4 2 2 2 4 7 4 5 3 2 2 3 9 15 4 3 3 2 2 2 3 2 3 2 4 2 2 2 2 2 2 3 4 4 2 3 6 2 2 2 2 2 2 3 4 4 7 3 2 8 3 4 2 2 3 2 7 11 5 4 19 19 44 25 5 1 2 3 4 35 3 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 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 2 2 2 2 1 2 2 3 2 4 3 2 1 2 2 2 2 3 4 5 3 3 7 8 10 15 21 19 9 7 3 2 1 3 4 2 0 2 3 1 0 4 6 0 37 82 2 4 3 1 1 2 2 2 4 2 100 13 3 3 3 1 1 2 2 1 1 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 74 73 m 2H | 68 67 d 1H J 83 | 66 66 dd 1H J 20 82 | 65 65 d 1H J 20 | 60 60 q 1H J 63 | 41 41 s 2H | 21 21 s 3H | 18 17 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)CC(C)C(=O)O
ir: 2 1 3 3 7 6 3 4 3 3 5 5 4 12 8 8 8 8 10 24 26 27 10 11 19 4 2 2 3 0 1 1 2 0 1 1 2 0 2 2 2 0 1 1 3 2 1 1 1 1 0 1 2 1 2 2 1 1 0 1 2 1 0 1 1 0 1 1 2 1 4 4 3 3 4 9 9 15 18 26 7 12 2 3 4 5 2 3 1 1 1 0 1 1 2 5 6 3 1 1 1 1 0 1 1 3 4 3 3 3 1 1 1 3 3 4 1 4 7 3 5 4 8 3 2 1 1 5 5 1 2 2 1 5 8 1 1 1 3 1 7 8 10 30 13 3 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 1 0 1 1 1 1 1 2 3 2 2 2 2 5 5 3 12 8 2 2 1 1 1 1 0 1 3 2 6 100 56 36 6 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 29 28 m 2H | 26 25 m 1H | 24 23 qd 2H J 54 73 | 13 12 m 3H | 11 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)N=C1CCN(N(C)C)CC1
ir: 4 10 16 9 8 15 25 19 28 21 9 6 5 9 6 4 12 37 23 13 3 2 3 2 2 7 8 17 4 2 1 3 3 2 3 4 1 1 2 4 5 8 2 4 2 4 7 19 43 16 34 88 10 7 6 3 3 4 2 10 17 4 4 4 7 1 32 2 2 8 3 9 5 12 27 11 28 9 4 2 2 2 2 1 3 7 9 53 41 15 27 43 5 8 8 32 18 4 6 3 2 3 2 2 2 3 4 2 2 1 3 3 4 21 13 16 15 20 6 8 7 9 12 18 16 7 10 22 54 26 12 4 6 18 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 100 16 9 2 0 1 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 2 2 5 3 9 12 11 9 11 14 7 5 3 4 7 10 27 34 3 3 2 1 2 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 30 29 m 5H | 27 26 m 5H | 26 26 s 5H | 26 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1[C@H]1CC[C@H](O)CC1
ir: 3 3 3 3 3 3 4 3 3 2 2 2 3 3 3 3 3 4 3 3 3 2 2 2 3 2 2 3 3 3 2 3 3 2 3 3 3 3 5 16 7 5 4 3 3 6 4 4 3 3 3 3 4 4 3 9 3 3 3 3 3 3 3 3 9 3 3 3 4 2 3 3 3 3 4 4 3 4 3 2 4 3 3 6 23 51 8 10 26 5 4 4 3 3 3 3 3 3 4 3 2 3 3 3 3 4 5 4 3 5 5 6 2 12 5 5 3 3 3 4 3 6 10 7 6 5 9 6 10 5 11 3 26 3 1 3 3 7 10 7 3 2 2 3 3 3 3 3 3 2 2 3 4 3 42 3 4 3 3 7 4 3 3 2 3 3 3 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 4 4 4 6 5 3 4 6 4 4 4 6 11 4 8 43 7 1 4 7 6 0 25 100 29 13 4 1 4 4 2 2 3 4 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 45 44 dtd 1H J 13 26 51 | 38 37 m 1H | 29 28 d 1H J 59 | 19 18 m 2H | 19 17 m 4H | 17 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CSc1c(C#N)cnc2ccc(/C=C3\SC(N)=NC3=O)cc12
ir: 4 5 6 5 3 8 8 6 5 17 9 18 16 15 7 15 10 7 5 5 5 6 7 5 5 4 3 5 4 8 1 6 3 5 3 5 4 4 5 4 20 17 17 6 4 9 3 3 3 2 3 6 3 2 2 12 45 25 2 3 3 3 2 0 2 1 1 1 2 3 5 5 2 2 2 2 3 5 2 3 5 2 0 0 1 1 1 1 1 1 1 1 2 9 7 1 3 7 16 2 1 1 2 3 2 2 5 3 6 5 3 2 3 2 2 6 4 3 5 6 7 6 8 25 10 5 9 8 6 8 3 3 3 1 1 3 2 2 1 2 2 1 1 2 4 2 2 14 17 53 53 100 67 15 3 24 53 5 4 7 4 1 1 2 1 1 2 3 1 0 1 2 1 0 1 1 1 0 1 1 0 0 16 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 0 2 1 1 1 2 2 2 2 1 2 2 6 14 9 11 6 12 9 4 2 2 3 1 1 2 2 2 1 1 2 1 2 2 40 26 3 1 1 1 1 1 2 2 2 6 47 83 8 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 s 1H | 86 86 d 1H J 25 | 84 84 dd 1H J 21 81 | 80 80 d 1H J 80 | 77 76 s 1H | 71 71 s 2H | 30 29 d 2H J 52 | 19 18 dtt 1H J 53 65 128 | 10 10 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1C[C@H]2CC[C@@H]1C2
ir: 3 3 6 1 0 3 1 2 1 4 1 3 1 3 3 4 2 2 2 1 3 1 1 1 1 2 2 3 2 1 2 1 2 2 2 1 2 1 1 1 1 1 2 2 3 2 3 4 4 2 1 2 3 8 8 77 79 100 55 34 95 97 5 22 21 41 16 3 2 1 3 14 10 11 49 33 33 17 4 15 11 11 10 3 3 3 2 6 8 4 6 5 2 3 2 2 1 2 4 1 2 4 7 5 7 8 5 7 8 12 15 15 11 10 3 10 6 13 16 10 1 12 11 16 9 21 14 25 18 16 11 18 60 86 38 75 12 12 9 3 2 2 2 1 1 2 3 1 0 1 2 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 6 3 8 3 7 11 17 15 14 12 1 7 2 2 0 1 2 1 1 2 4 5 6 7 13 38 75 51 59 15 19 15 13 19 27 80 79 5 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 2 1 1 1 1 1 1 2 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 33 32 m 1H | 22 21 m 1H | 21 20 tq 1H J 19 37 | 18 17 d 2H J 40 | 17 16 m 2H | 16 16 m 1H | 15 13 m 4H | 12 11 dt 1H J 32 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)ncnc1OCCCc1ccc2cccnc2n1
ir: 2 1 0 2 2 1 0 1 2 1 2 5 4 1 2 2 3 3 1 3 3 0 0 1 2 0 0 2 2 0 0 2 2 0 1 9 27 40 33 16 12 19 11 2 2 1 12 1 2 2 4 4 14 29 13 4 3 1 4 5 35 50 9 3 2 1 5 4 7 5 1 2 2 2 1 1 2 4 4 5 3 2 1 1 1 4 5 2 2 8 5 1 2 4 11 5 11 7 7 2 4 2 1 1 1 3 8 6 6 3 19 3 4 2 1 2 2 2 2 1 1 2 4 2 3 4 3 10 13 7 12 8 3 3 1 3 1 3 5 2 5 13 100 41 9 16 8 3 67 7 3 1 1 3 6 38 45 26 8 3 1 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 5 3 3 1 2 2 1 1 2 3 12 8 16 33 25 13 6 4 2 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 dd 1H J 16 49 | 84 84 s 1H | 82 82 dd 1H J 17 84 | 80 80 d 1H J 83 | 75 74 dd 1H J 50 85 | 72 71 dq 1H J 7 82 | 43 43 t 2H J 75 | 28 28 td 2H J 9 82 | 24 23 s 3H | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)CC(=O)N(CCCNC1CCc3ccccc3C1)CC2
ir: 5 5 6 12 9 4 4 2 7 1 3 5 4 12 2 2 3 2 2 3 1 1 2 4 5 14 15 6 5 4 5 3 3 7 11 6 3 3 6 3 6 25 7 15 16 21 41 17 8 6 2 3 2 1 8 30 5 1 3 2 4 2 3 3 7 9 5 8 43 37 5 7 10 21 10 7 2 9 6 3 1 2 5 10 2 5 3 2 18 4 7 2 9 14 3 2 0 5 5 10 2 2 6 7 25 10 20 23 3 7 3 5 4 4 4 24 7 13 10 8 9 21 23 10 23 10 16 10 9 16 13 11 10 3 24 9 11 17 19 41 1 18 5 5 2 4 9 10 60 16 2 2 2 7 22 2 2 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 2 3 3 6 3 3 5 3 3 2 4 7 18 11 10 14 100 25 7 2 2 3 1 2 1 1 2 3 1 2 1 3 5 7 7 21 65 39 10 3 1 2 1 1 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 0 0 0; 1HNMR: 72 71 m 2H | 71 70 m 2H | 67 66 dt 2H J 9 79 | 39 38 s 6H | 38 37 d 2H J 7 | 37 36 t 2H J 66 | 34 33 t 2H J 59 | 32 31 dt 1H J 49 70 | 31 30 dp 1H J 51 69 | 30 29 m 3H | 29 28 m 1H | 29 28 m 1H | 28 27 m 2H | 27 26 m 1H | 20 19 dddd 1H J 49 59 86 135 | 18 17 m 1H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCc1cc2cc(C(N)=O)/c(=N/NC(=O)c3cccc(OC)c3)oc2cc1O
ir: 6 3 3 4 3 5 2 5 5 5 4 1 1 10 21 9 6 1 3 5 66 4 3 6 3 4 5 7 3 1 2 1 2 2 2 2 6 13 9 21 53 42 13 42 66 29 11 8 4 1 1 0 4 2 4 3 4 2 1 1 1 0 1 3 1 14 15 17 13 9 3 1 2 3 3 7 10 9 3 2 5 10 6 3 1 1 3 6 36 7 3 3 8 22 4 1 2 4 3 1 0 1 11 10 2 4 6 3 2 5 5 2 1 4 2 2 0 1 1 1 4 8 3 2 1 1 4 2 1 2 1 1 13 1 1 0 1 4 2 33 19 9 11 5 3 3 5 27 9 9 40 12 24 18 5 5 5 22 18 7 34 5 1 1 1 4 1 1 0 0 0 1 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 2 1 0 2 1 0 0 1 1 1 1 1 1 0 2 1 1 1 2 2 1 1 1 2 1 1 2 7 4 9 11 38 26 16 5 2 1 1 6 100 53 4 1 0 2 2 0 1 3 76 2 2 3 9 6 7 16 22 3 2 2 4 35 2 1 1 1 0 1 0 1 0 0 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 83 s 1H | 81 80 s 2H | 77 76 ddd 1H J 9 21 81 | 76 76 s 1H | 74 73 m 2H | 73 73 q 1H J 7 | 70 70 ddd 1H J 10 17 80 | 67 66 s 1H | 38 38 s 3H | 26 26 td 2H J 9 83 | 17 16 tt 2H J 69 83 | 14 14 m 2H | 14 13 m 3H | 13 13 m 2H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
ir: 7 3 2 1 0 2 2 2 3 2 2 1 2 4 3 3 1 2 3 1 2 2 7 1 1 1 2 1 1 2 1 3 2 3 3 4 14 6 6 3 7 6 4 1 1 4 1 1 1 2 3 1 2 4 3 2 16 23 6 2 1 1 1 0 1 1 1 1 1 8 1 1 1 1 1 0 1 1 1 3 3 2 1 3 5 3 3 1 2 1 1 1 1 1 2 3 1 2 21 100 3 2 0 1 2 1 0 1 2 4 6 6 2 4 8 3 4 5 2 5 6 4 10 28 11 19 21 3 4 2 9 2 1 1 1 3 11 1 1 2 1 1 1 2 3 6 3 3 3 4 8 3 6 1 1 1 1 1 1 1 1 0 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 3 2 1 1 3 3 5 10 7 11 13 27 4 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 80 79 m 2H | 78 77 m 2H | 33 32 t 2H J 64 | 31 30 m 2H | 30 30 s 2H | 28 27 m 2H | 19 18 dqt 4H J 16 38 60 | 16 15 p 2H J 65 | 14 13 ddd 2H J 65 74 141 | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1ccc(-c2nc(-c3ccc(C(=O)O)c(F)c3)no2)cc1COCC1CC1
ir: 3 1 3 2 2 3 4 6 2 5 8 12 8 6 4 4 7 3 7 16 47 86 19 8 20 19 3 3 3 1 2 1 2 2 3 3 6 3 2 6 5 5 37 4 0 7 2 2 1 3 2 0 2 3 2 21 7 3 1 3 2 3 4 1 3 2 6 8 18 33 5 3 5 5 6 6 13 28 9 18 4 5 5 6 4 12 8 4 4 19 4 2 2 1 4 2 2 2 1 1 2 1 1 1 3 2 0 1 7 10 2 3 2 2 1 1 3 9 2 6 4 2 1 6 7 4 3 2 9 7 12 4 2 3 1 10 42 6 21 35 5 61 6 5 4 2 5 15 3 5 14 6 10 3 2 5 2 1 2 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 2 1 1 2 1 2 2 2 2 2 2 3 4 6 9 13 19 100 44 16 3 6 2 3 2 5 1 49 6 2 2 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 dd 1H J 50 104 | 80 80 dd 1H J 21 107 | 79 78 dd 1H J 22 103 | 78 77 dt 1H J 9 20 | 77 76 dd 1H J 12 79 | 76 75 dd 1H J 22 121 | 74 73 m 3H | 73 72 td 1H J 13 75 | 47 47 d 2H J 10 | 33 32 d 2H J 44 | 24 24 d 3H J 7 | 13 12 pt 1H J 45 64 | 5 5 m 2H | 3 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)no2)cc1
ir: 0 3 5 2 1 5 5 3 1 4 4 4 8 7 22 32 6 5 8 10 10 8 11 7 20 57 22 9 5 4 6 3 2 11 5 3 2 8 3 1 4 4 3 0 3 5 3 0 2 7 9 0 6 11 62 100 50 3 7 6 7 3 5 6 4 3 3 3 35 8 15 3 3 4 2 1 3 5 2 2 3 2 2 2 3 3 3 3 7 6 4 2 3 3 2 2 3 4 13 29 10 4 0 3 5 7 38 5 5 3 1 6 10 5 6 3 5 7 3 5 6 5 5 12 8 6 18 11 8 13 15 5 4 2 2 4 6 8 10 47 33 15 12 11 15 11 2 6 6 13 10 13 12 4 4 43 2 3 2 3 2 2 3 17 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 2 3 3 2 1 3 3 1 1 3 3 2 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 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 2 3 3 3 4 3 5 5 5 6 9 12 84 52 25 9 6 5 4 2 2 3 4 3 2 4 4 2 1 3 4 2 2 3 4 4 9 8 15 22 9 6 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 81 81 m 2H | 80 79 m 6H | 78 77 dp 1H J 14 104 | 75 75 d 1H J 104 | 70 70 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cl)c1cc(Cl)c2c(c1)CN1CCCC1CO2
ir: 4 4 3 12 7 4 4 20 69 12 10 21 7 13 12 10 7 13 6 4 19 26 48 18 18 6 5 16 16 5 4 6 3 5 5 5 9 19 17 5 6 5 16 9 5 4 3 5 3 2 3 4 5 13 4 3 7 7 9 6 4 7 5 0 31 27 16 16 11 5 8 8 5 6 4 3 3 5 6 7 37 46 10 75 57 27 100 27 14 14 27 23 13 16 18 26 6 10 5 6 5 10 18 10 5 5 5 5 8 13 4 5 2 4 5 4 2 6 18 8 6 7 11 41 30 21 9 4 4 5 2 3 4 4 5 6 25 13 12 5 2 4 3 3 2 5 36 19 4 3 3 2 2 3 6 5 6 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 2 3 3 3 3 4 3 5 5 8 4 5 4 6 6 5 15 11 33 56 41 31 8 5 7 3 3 3 3 2 2 3 4 3 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 79 79 d 1H J 22 | 78 78 dd 1H J 11 21 | 43 43 dd 1H J 40 104 | 41 41 dd 1H J 9 134 | 41 40 dd 1H J 40 103 | 39 39 dd 1H J 9 134 | 33 32 tt 1H J 40 48 | 30 29 dddd 1H J 10 25 53 89 | 25 25 m 1H | 21 20 m 1H | 19 18 m 2H | 17 16 ddtd 1H J 31 49 66 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)c(Cl)c2c1NC(=O)C2=O
ir: 1 1 1 1 1 1 1 1 1 1 1 3 7 22 5 3 2 2 1 6 4 7 10 7 4 2 2 1 1 2 2 1 1 2 3 6 6 2 2 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 2 2 1 3 3 3 1 1 1 1 1 2 2 1 0 1 2 2 3 3 1 1 0 1 1 0 1 1 1 1 2 1 1 3 2 2 1 0 2 2 3 7 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 37 7 3 2 1 1 1 1 3 0 1 1 0 0 1 1 1 1 1 3 1 0 1 2 1 1 1 1 3 1 1 1 8 21 4 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 4 1 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 100 5 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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; 1HNMR: 95 95 s 1H | 75 75 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2nc3cc(N)c(O)cc3o2)cc1
ir: 3 7 7 11 37 27 9 6 14 7 9 11 5 5 22 17 3 22 36 9 6 3 3 4 3 4 3 3 3 3 4 3 3 2 3 3 3 3 4 3 3 3 2 3 3 2 3 4 3 4 3 4 2 2 3 8 18 5 5 3 2 3 3 3 2 3 3 21 19 4 6 4 3 15 8 5 7 5 3 4 4 2 46 11 10 4 4 5 5 4 11 4 2 2 2 2 2 2 2 2 6 3 2 6 2 2 2 2 2 4 3 2 2 2 2 12 10 3 4 3 3 3 3 9 4 2 1 18 3 2 2 4 3 2 2 3 3 2 32 4 2 3 6 5 21 4 2 3 3 7 3 6 22 4 34 26 58 17 4 0 2 4 3 1 10 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 3 2 3 2 2 3 4 5 31 16 1 3 3 2 2 7 37 20 3 3 3 2 2 2 5 4 9 100 5 2 2 2 3 2 3 2 3 4 9 30 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 s 1H | 81 80 m 2H | 80 80 m 2H | 72 72 s 1H | 69 69 s 1H | 45 45 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc(Nc2nc(Cl)nc3ccccc23)c1
ir: 4 2 4 2 3 3 4 3 4 3 3 3 6 9 7 4 2 2 1 1 0 1 3 6 17 6 2 2 2 2 2 1 2 7 14 37 73 15 8 26 29 5 37 38 8 4 2 2 1 1 2 2 5 6 12 29 18 8 2 3 3 3 1 4 4 15 10 2 4 6 4 1 1 2 4 5 3 2 3 6 5 2 10 13 53 6 8 2 1 2 1 3 2 3 3 28 11 7 15 24 45 19 8 4 4 2 1 1 2 1 0 1 3 2 3 14 19 30 13 14 8 9 18 5 7 15 14 25 12 2 0 1 2 1 1 53 100 3 2 1 1 2 3 31 4 4 3 7 45 30 3 1 5 1 1 0 1 1 1 2 2 17 1 1 1 0 0 1 3 6 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 1 1 1 1 1 1 2 1 1 0 1 1 2 4 3 2 1 2 3 2 2 2 1 3 2 5 4 30 95 42 53 17 25 9 3 4 2 3 2 2 1 1 1 1 0 2 1 2 0 6 19 9 8 7 12 12 4 4 1 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 84 83 dd 1H J 15 94 | 81 80 dd 1H J 14 76 | 78 78 td 1H J 11 70 | 77 76 q 1H J 10 | 75 75 ddd 1H J 13 69 97 | 72 72 d 1H J 17 | 37 37 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1CCNc2ncc(I)cc21
ir: 19 30 26 12 7 6 6 8 2 14 37 87 46 9 8 17 11 4 5 4 10 4 3 7 6 5 2 9 4 20 6 4 5 5 15 64 45 23 27 58 24 14 10 16 18 1 4 5 4 7 3 2 4 2 3 6 4 2 3 3 3 2 3 6 4 2 3 1 12 11 6 3 2 11 11 4 3 5 4 3 2 2 4 8 3 2 3 2 2 3 7 18 8 2 4 4 5 17 3 4 8 32 5 3 1 2 3 3 2 3 3 3 4 6 5 4 3 3 4 26 8 11 25 28 0 45 7 5 4 5 5 3 13 41 33 10 3 4 5 2 6 37 22 21 37 30 78 100 13 10 5 6 5 6 4 12 3 2 3 22 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 2 2 3 3 3 4 6 5 1 20 35 30 20 8 4 3 3 3 3 2 2 2 2 2 2 2 3 4 4 5 3 5 6 25 26 25 74 42 21 12 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 d 1H J 18 | 81 80 d 1H J 16 | 75 75 tt 1H J 15 75 | 74 73 dq 2H J 17 84 | 73 72 m 2H | 68 67 t 1H J 35 | 43 42 m 2H | 38 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CN=Cc1ccc(Cl)c(Cl)c1)OC
ir: 3 5 9 6 3 7 8 5 9 13 26 19 5 10 13 11 8 10 27 38 14 10 10 4 3 7 6 3 3 6 6 4 12 14 18 3 4 8 11 5 7 9 11 2 4 11 7 2 5 13 11 4 6 25 14 14 7 13 13 0 12 14 12 7 31 26 50 27 37 31 23 23 26 22 17 20 29 33 17 7 22 17 37 13 9 8 3 3 7 7 3 11 17 17 7 5 9 6 2 4 7 6 3 13 13 7 4 7 10 10 12 26 15 7 3 6 9 7 6 9 10 13 13 22 20 22 6 8 13 8 5 6 7 4 3 7 19 36 5 5 6 4 4 12 22 12 10 6 6 5 7 13 19 13 7 13 8 3 4 6 5 3 4 7 5 2 4 6 4 2 4 7 4 2 4 7 4 2 5 6 4 2 5 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 2 4 6 4 2 4 7 4 2 4 7 4 2 4 6 4 2 5 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 7 4 5 7 7 6 6 7 5 4 7 8 9 14 18 10 39 100 46 15 6 5 13 10 5 2 5 7 4 2 5 7 3 2 5 6 3 3 6 6 3 3 5 6 3 3 6 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 6 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6; 1HNMR: 84 83 d 1H J 12 | 79 79 d 1H J 18 | 76 75 m 2H | 45 45 tp 1H J 15 47 | 39 39 dd 2H J 13 49 | 34 34 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCN(CCCN)CCN(CCCN)CCCN
ir: 1 1 1 1 1 2 1 3 8 4 3 3 1 2 1 1 0 1 2 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 3 4 6 8 7 15 6 10 10 6 11 8 4 9 7 2 2 11 5 3 3 1 2 5 3 5 6 3 7 18 43 10 10 6 3 4 12 4 14 13 5 2 2 1 1 1 2 4 5 4 2 2 1 3 2 1 1 1 2 1 2 2 2 1 2 2 2 2 1 4 2 2 2 2 1 2 3 4 3 6 6 2 5 5 4 8 5 10 9 15 60 18 7 6 8 7 5 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 2 1 2 2 2 1 1 0 1 1 3 1 1 1 1 1 1 1 1 1 1 2 2 1 4 7 9 55 40 28 7 3 4 8 5 100 32 3 6 5 1 0 3 2 0 2 3 2 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 28 27 tt 8H J 57 65 | 26 25 m 11H | 17 16 p 8H J 58 | 14 13 t 8H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)c1ccccc1
ir: 12 7 12 9 7 6 3 3 4 7 5 4 3 4 4 3 1 2 3 2 2 1 1 1 1 1 1 1 3 9 6 11 13 11 6 3 3 5 4 4 7 44 40 22 10 1 3 5 5 4 7 33 74 12 14 4 4 7 5 4 4 1 2 2 2 8 3 3 6 25 5 7 22 7 7 2 3 1 2 2 1 2 1 3 1 1 1 4 3 5 20 4 1 1 1 1 7 7 4 7 62 1 4 2 0 1 3 2 3 5 5 3 1 1 3 1 5 5 3 3 2 3 4 3 10 3 2 3 2 2 5 0 4 6 6 10 15 19 77 21 6 3 2 25 8 19 23 68 45 12 28 7 5 5 2 3 5 2 12 84 9 4 2 1 1 0 0 1 1 0 0 1 0 0 0 1 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 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 1 0 1 1 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 6 14 13 38 53 26 6 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 8 100 60 16 5 4 3 2 1 2 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 86 86 s 1H | 85 85 dd 1H J 15 71 | 84 84 d 1H J 44 | 78 78 dd 1H J 15 68 | 75 75 td 1H J 14 70 | 75 74 td 1H J 13 71 | 73 72 m 5H | 70 70 d 1H J 44 | 62 62 d 1H J 73 | 53 52 p 1H J 67 | 17 17 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C#N)=Cc1c[nH]c2ncccc12
ir: 1 1 1 2 2 2 0 23 4 21 9 9 2 4 15 3 19 5 2 5 7 4 11 2 2 2 3 8 3 3 2 1 1 5 4 5 5 35 59 9 45 4 2 2 3 1 1 1 1 2 6 2 1 1 1 1 1 1 1 2 7 1 9 7 5 3 1 1 2 6 2 1 1 2 1 6 1 2 1 2 2 3 3 2 2 5 4 3 2 2 1 1 1 1 1 1 1 8 10 3 3 2 1 2 1 1 3 7 18 12 3 5 5 1 4 1 2 2 2 2 5 5 5 17 6 1 1 2 2 2 3 4 3 1 1 2 2 1 3 35 11 4 40 4 2 4 12 4 6 7 6 51 100 3 37 14 4 0 17 10 1 1 3 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 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 2 1 1 1 3 3 3 5 28 9 13 31 9 21 9 2 2 1 1 1 1 1 1 1 2 1 1 1 3 2 2 2 2 4 2 64 15 12 8 0 11 9 2 1 1 1 1 1 1 2 1 2 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; 1HNMR: 98 98 d 1H J 73 | 87 86 dd 1H J 20 38 | 85 84 dd 1H J 21 76 | 80 80 s 1H | 76 75 d 1H J 73 | 74 73 dd 1H J 39 76 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(Cn2cncc2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
ir: 3 4 2 3 8 6 5 3 1 2 1 2 12 2 2 2 4 2 1 2 1 0 1 1 1 4 3 2 2 3 2 7 10 11 5 1 4 2 3 2 4 11 3 6 4 6 3 2 5 4 17 5 4 6 13 5 12 57 10 10 3 0 1 2 1 0 3 2 3 5 9 7 5 4 2 2 2 1 2 17 4 1 1 10 18 6 15 22 14 4 4 8 1 5 13 32 15 16 29 12 8 3 3 3 6 4 3 10 4 3 3 1 3 3 1 1 2 2 4 3 8 5 3 2 8 7 2 1 1 1 1 15 18 7 7 2 1 2 5 6 2 2 4 1 2 3 10 8 3 3 15 1 4 2 1 1 1 1 6 55 2 2 2 4 4 1 1 1 2 1 1 0 1 1 1 2 2 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 1 3 3 2 5 10 5 11 14 21 30 100 32 71 13 8 4 0 1 3 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 82 82 dt 1H J 8 18 | 77 77 d 1H J 15 | 76 75 m 4H | 74 73 ddt 1H J 9 19 79 | 73 73 dp 2H J 10 70 | 73 72 dd 1H J 16 94 | 69 69 dt 1H J 9 17 | 68 67 d 1H J 93 | 52 52 q 2H J 9 | 40 39 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1C)C(=O)CC2
ir: 10 5 2 7 14 21 18 6 11 4 2 11 27 17 4 8 9 4 1 7 9 6 7 10 23 5 3 7 7 2 2 8 8 2 3 9 7 2 3 8 6 1 3 9 6 1 4 10 6 3 5 15 51 100 39 13 6 0 5 10 5 5 9 11 7 3 9 13 6 3 7 11 8 3 8 10 4 3 7 8 3 2 7 8 5 5 16 15 4 6 9 10 10 9 30 7 3 9 16 14 2 6 16 11 8 4 8 5 2 13 12 7 1 7 11 8 12 9 13 7 9 12 10 4 4 9 13 5 3 10 11 8 3 12 13 4 2 8 12 10 10 8 9 4 5 20 49 44 13 17 11 2 3 26 14 13 4 8 12 2 8 9 5 1 4 9 5 1 4 9 5 0 5 9 4 0 5 9 4 1 5 8 4 1 6 8 3 1 6 8 3 2 6 7 3 2 6 7 3 3 7 7 2 3 7 6 2 3 7 6 2 3 8 6 1 4 8 5 1 4 8 5 1 4 8 5 1 5 9 5 1 5 8 4 1 5 8 4 1 6 8 4 2 6 8 3 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 2 3 7 6 2 4 7 6 2 5 9 7 3 7 12 14 8 7 10 7 6 14 20 21 9 18 32 23 8 7 10 6 2 6 8 4 2 6 7 4 3 6 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 1 5 8 5 1 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2; 1HNMR: 72 71 dq 1H J 10 84 | 68 67 dt 1H J 10 83 | 31 30 td 2H J 9 63 | 28 27 dd 2H J 57 70 | 23 23 d 3H J 10 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c(=O)n(CC=C)n(CC=C)c1=O
ir: 6 4 3 6 6 4 4 5 4 4 4 5 5 6 6 6 5 6 7 6 6 8 8 6 6 6 6 15 7 9 8 9 9 6 7 6 5 5 5 5 9 4 13 40 100 27 11 5 5 5 6 11 4 5 5 5 5 10 7 6 8 9 18 5 10 9 9 12 21 20 29 19 25 8 9 7 5 7 6 8 6 11 5 6 6 4 4 4 3 4 6 7 4 5 4 4 5 4 3 3 3 4 3 4 4 3 4 4 3 4 7 8 13 9 19 12 8 36 20 19 37 16 9 7 4 5 7 7 4 5 5 6 6 15 26 14 14 18 20 33 41 15 8 5 5 4 4 3 4 3 4 4 5 4 38 0 43 41 5 5 5 5 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 4 5 4 5 8 7 4 10 8 34 20 17 15 17 13 47 29 13 10 15 16 23 8 7 8 9 6 4 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 59 58 m 3H | 53 51 m 5H | 51 51 m 1H | 46 45 dt 2H J 14 64 | 44 43 dt 4H J 14 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(NCCC2CCCN2C)c2cc3ccccn3c12
ir: 7 24 7 5 2 5 11 4 5 2 1 3 1 2 2 6 3 4 15 18 20 13 5 3 2 2 2 6 1 1 0 2 2 1 4 5 3 4 9 6 6 25 18 4 4 5 7 16 5 2 2 1 2 1 1 4 3 4 2 3 6 3 1 2 2 7 4 5 6 6 2 4 6 4 8 4 2 0 2 2 2 9 8 2 1 2 4 2 2 8 1 2 2 3 2 2 1 3 3 2 1 2 3 3 5 17 6 3 2 2 4 4 1 3 6 3 11 5 3 7 12 9 3 3 1 14 4 3 2 4 7 5 6 34 22 9 6 5 6 6 13 13 21 3 5 6 14 55 100 10 12 3 3 2 1 10 1 2 1 4 1 1 2 3 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 2 2 2 3 1 3 2 2 2 3 3 2 3 3 9 6 4 3 7 21 20 6 4 5 6 2 2 1 2 2 1 2 2 1 1 2 5 3 3 2 8 28 74 69 20 1 2 3 1 1 2 4 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 m 1H | 75 74 m 1H | 72 72 s 1H | 71 70 t 1H J 57 | 69 68 m 2H | 36 35 dq 1H J 61 152 | 35 34 dq 1H J 61 150 | 29 28 m 2H | 26 25 s 2H | 22 22 d 3H J 14 | 21 20 m 2H | 20 19 m 1H | 19 18 m 2H | 17 16 tddd 2H J 15 24 50 103
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1noc(-c2ccccc2)c1N
ir: 18 13 20 12 0 30 30 28 36 63 73 100 49 35 32 16 11 18 19 10 7 15 16 5 4 15 15 5 4 16 15 5 10 19 14 8 11 21 19 3 38 63 26 5 8 18 15 2 9 18 12 1 17 21 10 0 8 18 9 0 10 20 10 1 11 18 10 7 21 25 11 3 12 17 16 9 14 17 8 4 17 35 35 24 17 13 6 4 13 12 4 9 34 50 3 5 21 15 11 9 18 11 2 16 24 13 1 8 16 9 0 8 17 9 0 10 18 9 8 12 17 9 1 11 16 7 1 11 17 7 2 23 30 37 13 26 34 9 69 69 13 5 5 16 18 9 7 20 22 14 9 32 23 11 7 15 12 5 7 37 40 43 10 16 9 1 8 17 9 0 8 17 8 0 9 16 7 1 9 15 7 1 10 14 6 2 10 14 6 2 11 14 5 3 11 13 4 4 12 12 4 5 13 12 4 5 13 11 3 5 14 11 3 6 14 10 2 7 14 9 2 7 15 9 1 8 15 8 1 8 15 8 1 9 15 7 2 9 14 7 2 10 14 6 3 10 13 6 3 10 13 5 4 12 12 5 5 12 11 4 5 12 11 4 6 13 11 4 6 14 11 3 7 15 10 4 8 14 9 2 8 16 9 9 18 16 36 21 62 37 12 3 10 15 8 2 11 15 6 2 10 14 5 2 14 53 38 51 12 11 6 5 11 12 5 5 17 57 50 16 11 10 5 7 12 10 4 7 13 9 4 7 13 9 3 7 13 9 3 8 14 8 2 8 14 8 3 9 13 7 3 9 13 7 4 10 12 7 4 10 12 6 4 11 12 6 5 10 11 6 5 11 11 5 6 11 10 5 6 12 10 4 6 12 9 4 7 12 9 4 7 13 9 3 8 13 8 3 8 13; 1HNMR: 77 76 m 2H | 75 74 m 3H | 61 60 s 2H | 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.
Cc1ccc(C(=O)O)c(NC(=O)Cc2c[nH]c3ccc(-c4cccs4)cc23)c1
ir: 5 3 2 3 5 6 8 7 4 3 3 4 12 11 17 3 16 6 7 6 22 40 100 10 14 15 15 6 5 2 4 5 4 4 3 5 4 4 10 8 14 12 8 16 8 19 9 5 5 0 5 17 15 28 16 17 4 1 2 2 1 2 3 4 2 6 4 17 13 5 6 17 11 14 9 11 10 12 8 5 2 1 2 3 2 2 3 4 4 2 4 4 7 5 3 1 1 3 3 3 1 2 9 7 6 4 8 4 7 5 3 4 6 8 10 8 4 8 3 2 5 3 3 3 4 3 3 3 3 3 5 3 1 2 3 2 1 3 3 5 13 21 18 55 7 4 15 11 3 2 4 7 5 14 23 9 35 7 2 2 2 2 3 4 9 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 3 1 2 2 2 1 3 6 6 4 12 19 21 37 23 9 4 5 3 1 3 10 2 1 2 2 2 2 2 2 1 2 2 3 12 22 17 20 6 2 2 2 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 d 1H J 70 | 79 79 d 1H J 23 | 79 78 d 1H J 80 | 78 77 dd 1H J 24 77 | 76 76 dd 1H J 17 50 | 75 75 dd 1H J 16 62 | 75 74 m 1H | 74 73 d 1H J 77 | 73 72 m 2H | 69 68 m 1H | 37 37 d 2H J 10 | 24 23 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)oc2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12
ir: 0 1 2 2 1 1 1 1 1 2 3 4 12 1 1 1 0 1 1 0 1 2 1 1 2 1 1 3 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 2 8 12 30 8 1 38 3 1 1 8 5 3 2 4 4 6 13 5 2 2 1 0 1 1 2 1 1 1 2 1 3 2 1 0 7 1 3 1 0 1 1 0 0 1 2 1 0 1 1 0 3 4 3 1 2 1 1 1 4 3 1 0 1 3 6 3 1 1 1 1 1 2 1 1 1 5 1 1 2 5 1 0 1 1 13 1 1 1 0 0 1 2 2 1 7 15 5 2 2 12 5 14 2 1 1 1 5 20 7 1 6 3 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 2 1 1 4 7 32 100 16 34 11 6 2 2 2 1 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 75 d 1H J 74 | 74 74 m 4H | 71 71 m 4H | 70 70 dd 1H J 22 73 | 70 69 d 1H J 21 | 62 61 q 1H J 14 | 24 24 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCC(O)c1ccc(F)cc1
ir: 3 4 8 6 4 5 14 6 14 11 22 36 24 50 35 40 49 31 10 83 100 51 58 26 9 8 4 6 4 4 4 3 4 12 4 5 4 3 5 6 4 4 8 4 4 4 4 4 3 7 5 5 4 14 29 45 11 2 3 6 4 0 3 11 3 1 4 7 0 42 4 7 2 12 13 24 60 28 29 38 25 20 18 26 49 53 8 5 25 73 19 6 6 9 5 8 7 9 6 6 6 6 3 3 2 2 4 2 5 3 4 3 3 4 3 3 2 20 2 10 8 11 11 25 10 6 8 7 5 3 3 5 3 5 7 3 6 4 3 3 7 8 20 44 23 10 8 28 5 8 2 2 6 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 1 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 3 3 4 3 6 4 11 6 4 4 3 3 4 3 6 12 18 29 50 21 7 6 5 7 11 2 82 86 13 18 9 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 2 3 3 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 74 73 m 2H | 71 70 m 2H | 49 48 m 1H | 32 31 d 1H J 55 | 25 24 dt 1H J 91 155 | 24 23 dt 1H J 92 155 | 22 21 dtd 1H J 65 92 143 | 19 18 dtd 1H J 66 92 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C2CCN(CC2)C1CC(c1ccccc1)c1ccccc1
ir: 3 7 0 2 1 2 7 3 3 2 2 10 4 2 5 5 2 1 6 4 1 1 2 4 2 1 2 4 11 6 22 11 48 27 13 8 3 5 19 21 74 36 9 6 6 7 10 4 4 15 4 1 1 1 2 2 1 1 3 3 21 7 4 10 2 3 9 15 9 3 6 3 7 6 10 3 3 2 2 8 8 23 10 1 4 16 3 2 2 6 10 8 6 2 16 3 4 11 9 12 11 3 4 4 2 12 6 4 5 4 6 3 3 3 11 10 5 10 10 10 7 12 5 2 1 2 3 2 6 5 2 1 1 4 11 37 15 11 5 6 3 4 25 21 42 46 20 11 3 1 2 3 11 8 2 1 1 1 1 2 3 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 1 4 9 5 8 4 10 7 5 11 45 32 15 40 92 100 20 16 5 4 2 2 3 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 10H | 40 40 m 1H | 39 38 t 1H J 67 | 31 30 ddd 2H J 48 74 121 | 29 28 ddd 2H J 48 75 121 | 27 27 p 1H J 48 | 24 23 ddd 1H J 67 77 135 | 21 21 m 1H | 21 20 m 2H | 18 17 ddt 2H J 48 75 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccnc1
ir: 1 3 9 13 6 8 7 11 0 5 6 4 1 3 5 8 2 4 7 3 2 3 6 3 4 5 6 8 13 5 6 4 7 12 12 18 62 16 15 23 20 9 5 0 64 30 9 7 6 10 12 7 8 2 16 10 43 6 4 4 3 13 13 2 8 6 5 20 26 29 3 2 3 4 4 2 6 14 6 2 6 4 2 2 3 6 5 6 7 11 6 5 10 14 16 13 10 10 4 26 8 4 2 2 5 3 2 3 4 4 7 22 22 100 29 18 6 4 4 6 8 6 1 13 4 3 1 5 9 3 4 5 5 3 4 4 5 3 78 44 18 3 4 3 5 16 48 6 4 51 10 7 25 4 6 39 25 1 2 7 33 20 4 1 4 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 2 1 2 3 2 1 2 2 4 2 4 3 4 3 5 3 3 13 9 4 20 42 30 19 6 1 3 4 2 1 2 3 1 1 2 3 2 1 3 4 2 3 3 9 16 20 58 27 22 4 6 2 1 2 3 2 2 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 93 92 t 1H J 18 | 87 87 ddd 1H J 16 26 45 | 83 82 m 1H | 78 78 dq 1H J 10 21 | 75 74 m 2H | 70 70 d 1H J 70 | 34 33 m 4H | 18 17 m 4H | 17 15 h 2H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1c(C(=O)OC)sc2c1sc1c(N(CC3CCCCC3)C(C)=O)cccc12
ir: 2 3 2 2 2 2 2 2 2 2 2 2 1 2 2 5 2 2 2 1 1 1 2 1 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 1 1 2 2 4 2 2 1 1 2 1 1 1 2 1 1 2 1 1 2 2 2 1 1 1 1 3 1 2 2 2 2 2 2 1 2 3 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 2 1 2 2 2 2 2 4 2 1 2 2 2 2 2 3 2 3 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 4 2 1 1 3 3 2 2 8 6 100 3 0 1 2 2 1 1 7 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 1 2 1 2 2 3 4 2 2 3 3 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; 1HNMR: 78 78 dd 1H J 13 73 | 74 73 t 1H J 72 | 73 72 dd 1H J 13 71 | 48 47 s 2H | 43 42 q 2H J 66 | 39 38 m 5H | 21 21 s 2H | 20 19 pt 1H J 53 64 | 16 12 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(OS(C)(=O)=O)c1cc(-c2cc(C)ccc2F)on1
ir: 1 1 1 2 2 6 6 6 1 1 1 1 0 1 1 0 0 1 1 2 1 1 1 2 1 1 1 4 1 1 1 0 0 1 8 1 1 1 0 0 0 1 1 0 0 1 1 0 7 1 1 1 2 22 2 0 5 6 5 1 1 7 1 0 1 3 1 4 4 36 8 40 27 2 10 3 3 7 4 1 1 1 1 1 1 0 3 1 100 3 1 1 3 1 1 1 1 2 11 2 7 10 10 6 2 2 1 1 1 1 0 1 1 1 0 1 2 2 4 2 2 5 3 3 3 3 3 1 1 1 0 2 1 1 0 1 2 2 1 0 1 1 3 2 8 1 1 1 1 4 1 1 14 11 2 1 5 13 1 1 1 1 1 17 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 0 1 0 0 0 1 1 3 1 1 1 1 1 1 1 1 1 1 2 4 19 8 8 12 14 16 8 7 2 2 1 1 2 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 1; 1HNMR: 75 75 m 1H | 72 72 m 1H | 71 70 dd 1H J 88 101 | 68 68 dd 1H J 7 20 | 56 55 m 1H | 30 30 s 2H | 24 24 d 3H J 8 | 22 21 dqd 1H J 55 80 137 | 19 18 m 1H | 11 10 td 3H J 15 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=CCC2CCOC3(CCNCC3)C2=C1
ir: 3 3 3 3 4 4 3 3 3 4 4 4 4 3 3 5 5 5 7 8 7 4 5 5 4 5 7 10 17 8 14 11 18 8 10 9 7 9 11 6 5 4 4 5 6 3 4 4 4 4 4 5 4 3 4 4 6 9 8 11 5 6 5 7 8 7 5 10 6 7 5 6 7 5 4 4 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 5 4 3 4 6 5 3 4 3 5 4 4 6 5 3 4 5 5 8 8 0 16 19 13 34 57 29 9 8 5 6 6 4 7 12 11 33 22 6 6 6 12 9 9 11 9 5 4 3 4 3 3 3 4 4 3 3 3 3 3 3 7 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 5 5 5 7 11 6 7 5 3 5 15 12 34 53 3 6 4 3 3 4 3 3 3 3 3 3 3 4 5 6 7 9 12 72 100 26 9 6 5 5 4 3 3 3 3 3 3 3 3 3 3 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 60 60 m 1H | 60 59 ddq 1H J 9 71 81 | 59 58 m 1H | 42 41 p 1H J 37 | 38 37 ddd 1H J 27 55 115 | 37 36 ddd 1H J 27 55 115 | 30 29 ddt 2H J 34 59 139 | 29 28 ddt 2H J 35 60 141 | 25 24 m 1H | 24 23 dddt 1H J 9 51 61 141 | 22 21 dddt 1H J 10 53 62 143 | 20 20 ddd 2H J 33 60 136 | 20 19 dtd 1H J 28 57 128 | 18 17 ddd 2H J 31 59 134 | 17 16 dtd 1H J 28 57 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O
ir: 5 3 1 8 6 38 22 17 6 8 4 4 8 7 8 5 4 3 2 2 3 5 3 2 3 2 2 3 2 5 13 7 6 1 1 3 2 1 2 8 100 13 3 0 1 3 2 2 2 3 2 1 1 2 2 1 2 2 2 1 2 2 2 9 17 3 3 2 2 5 2 1 2 3 3 3 4 6 3 2 4 2 4 3 8 22 15 11 56 35 6 5 17 5 6 3 3 6 7 4 3 2 1 3 4 3 6 5 3 2 3 2 4 17 13 3 1 3 2 2 3 4 6 3 3 2 2 3 4 3 2 3 3 15 7 25 2 1 1 1 1 2 16 16 5 1 3 2 2 3 11 7 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 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 2 2 1 2 2 2 2 2 3 9 2 2 3 3 4 4 4 3 11 9 10 61 11 6 5 2 5 2 14 50 16 6 2 2 2 3 2 1 1 2 1 1 2 2 1 1 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; 1HNMR: 74 73 d 4H J 37 | 73 73 m 1H | 52 51 s 2H | 42 41 ddddd 2H J 17 33 52 70 226 | 39 38 dd 1H J 34 102 | 38 37 dd 1H J 16 116 | 37 36 ddd 1H J 18 53 102 | 36 35 d 1H J 47 | 36 35 ddd 1H J 19 33 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.