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O=C(CCCCCBr)NCC(=O)c1ccc(Br)cc1
ir: 2 1 2 1 3 2 3 4 5 9 3 7 5 3 1 3 2 2 1 2 10 17 11 6 4 6 10 15 18 15 20 20 9 27 28 50 24 20 15 21 14 17 7 7 9 7 5 8 7 9 8 31 9 17 20 17 12 7 8 1 2 4 1 1 2 2 2 3 5 9 3 1 2 2 3 1 1 1 1 1 1 1 1 3 4 3 6 6 2 2 1 2 2 3 1 3 3 13 7 5 3 3 4 3 6 7 11 5 6 4 3 9 4 8 8 9 18 16 17 50 17 18 33 11 9 28 45 38 11 16 3 6 3 3 5 5 4 4 9 16 42 36 20 18 23 100 46 13 42 62 17 11 3 2 3 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 3 3 5 11 5 6 5 4 1 5 5 14 8 30 27 48 70 18 9 5 8 5 2 3 4 2 1 2 1 2 1 1 3 2 2 7 4 14 26 18 50 21 25 5 6 6 4 3 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H | 76 76 m 2H | 76 75 t 1H J 59 | 47 46 d 2H J 59 | 35 35 t 2H J 46 | 23 22 t 2H J 84 | 19 18 tt 2H J 47 75 | 17 16 m 2H | 15 14 pd 2H J 12 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=N)C(c1ccc(Cl)cc1)C(C)C
ir: 1 1 0 0 0 0 1 1 0 0 0 1 1 0 1 5 0 1 1 0 1 1 3 14 2 1 2 1 3 10 36 45 33 6 4 3 4 5 2 0 0 2 1 2 1 1 0 0 0 1 1 1 7 3 5 1 14 0 0 1 1 1 1 2 1 1 1 2 1 2 1 1 3 10 2 2 1 0 1 2 1 22 9 2 1 2 1 1 0 1 0 1 1 2 5 2 1 1 1 1 1 0 1 1 1 1 0 2 2 6 2 1 1 1 1 0 0 2 3 1 7 13 3 11 4 1 1 2 1 0 1 3 1 1 1 0 0 1 1 2 1 1 2 1 11 31 4 16 3 2 2 1 7 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 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 1 1 0 0 0 0 1 1 1 1 2 1 1 3 2 6 22 16 5 1 3 1 1 0 1 1 0 0 0 0 0 1 1 6 100 9 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 69 69 m 2H | 69 69 s 1H | 38 37 s 2H | 33 33 m 1H | 21 20 dq 1H J 68 135 | 10 9 dd 3H J 15 68 | 9 9 dd 3H J 15 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3ccccc3Br)c2O)CC1
ir: 11 6 10 20 17 17 11 4 8 7 31 11 5 5 5 4 13 9 6 9 4 5 6 8 37 12 7 6 11 8 9 10 21 26 100 37 25 10 15 41 22 55 73 49 53 27 40 20 7 8 6 4 11 24 28 60 6 1 9 4 2 7 6 13 4 5 3 5 10 23 7 5 8 9 13 15 6 2 2 38 40 10 18 3 2 80 25 2 5 3 1 4 5 8 7 6 6 31 11 57 12 23 11 12 5 4 1 39 25 15 6 3 4 10 14 8 4 11 23 22 17 7 25 20 4 3 3 13 7 6 3 3 6 17 5 13 30 21 6 5 5 1 2 16 43 7 12 60 26 35 64 50 60 17 29 8 4 2 5 9 5 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 3 2 3 3 1 2 3 2 2 3 4 1 3 6 7 23 11 20 41 42 73 35 45 7 4 2 1 2 2 2 1 2 2 1 1 1 2 6 5 5 21 13 12 100 43 14 5 4 2 1 2 1 1 0 0 2 1 0 1 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 89 s 1H | 85 84 s 1H | 79 79 dd 1H J 14 78 | 76 76 d 1H J 82 | 75 74 dd 1H J 14 81 | 74 73 d 1H J 81 | 73 73 td 1H J 13 74 | 71 70 ddd 1H J 15 73 84 | 37 36 dd 5H J 53 64 | 35 34 dd 4H J 52 65 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc(NCC2CNCCN2c2ccccc2)cc1
ir: 10 6 4 9 9 8 10 11 7 14 10 21 7 6 16 6 8 16 13 18 28 9 16 5 12 7 4 8 8 8 13 15 12 13 9 5 4 12 6 6 9 28 5 1 3 5 5 3 5 3 10 8 6 5 31 10 57 14 32 17 13 14 5 15 12 1 3 2 13 18 11 7 9 1 1 7 7 3 5 6 2 1 3 1 1 4 4 60 33 9 3 5 4 2 3 5 5 6 5 15 40 37 16 28 27 28 0 3 9 19 16 9 13 14 9 3 13 11 16 14 15 11 11 11 22 18 6 9 9 16 23 8 3 4 4 6 2 3 2 2 8 13 20 5 9 1 3 2 4 7 9 62 100 16 7 4 1 1 0 0 6 1 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 2 2 2 1 2 2 1 1 2 1 1 2 2 4 6 12 26 45 79 37 5 6 7 4 4 2 1 3 2 2 1 1 3 3 3 6 8 34 45 11 12 9 15 41 74 61 33 13 8 8 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 69 68 tt 1H J 13 77 | 67 67 m 2H | 67 66 m 2H | 47 47 t 1H J 54 | 40 40 p 1H J 39 | 39 38 ddd 1H J 42 54 132 | 37 35 m 3H | 32 31 ddd 1H J 37 45 126 | 30 29 m 3H | 29 29 s 3H | 24 23 tt 1H J 35 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCc1ccc(OC(F)F)c2ccccc12
ir: 1 6 16 7 7 3 1 3 1 3 2 1 0 4 2 1 0 1 2 0 1 2 2 1 1 1 1 1 1 1 1 0 0 2 2 0 1 2 3 1 3 3 1 3 42 2 1 1 1 2 1 1 1 2 7 2 1 4 2 1 9 1 2 2 2 1 3 22 5 2 1 1 3 7 10 69 8 4 3 13 3 1 1 1 2 4 1 1 100 1 2 2 1 4 2 1 1 2 3 3 21 26 6 3 3 3 3 6 1 1 1 1 1 2 2 1 1 2 2 1 3 4 5 3 2 2 6 3 2 2 2 1 2 7 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 12 14 2 1 1 1 1 1 1 1 1 1 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 2 2 30 14 3 22 47 10 10 2 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 m 1H | 79 78 m 1H | 75 74 m 2H | 72 71 m 1H | 71 70 d 1H J 86 | 67 67 s 0H | 55 54 d 2H J 10 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(NC)c(N)c1
ir: 9 10 15 17 26 11 11 7 9 9 26 21 15 16 7 6 3 5 4 5 8 4 15 13 3 2 3 4 3 4 2 3 2 3 2 4 3 5 2 2 1 2 1 1 2 1 1 1 1 1 1 2 1 0 11 8 2 2 2 2 2 1 1 2 2 2 4 6 6 2 2 2 3 5 2 3 20 1 2 2 1 0 1 1 0 0 1 1 1 1 1 1 2 3 2 1 1 2 1 1 0 2 1 2 1 3 10 2 2 1 1 1 2 2 3 1 4 15 6 6 4 7 8 7 5 8 3 3 1 2 1 3 3 8 8 4 3 2 2 1 1 1 1 1 1 23 10 4 5 24 41 35 17 2 16 3 3 17 20 2 1 1 1 0 1 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 0 0 1 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 6 3 7 11 7 1 2 2 2 1 1 1 1 1 1 2 1 3 3 2 1 7 34 3 3 8 10 17 15 28 8 5 6 35 100 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 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 0 0 0 0 1 0 0; 1HNMR: 77 76 dd 1H J 21 85 | 74 74 d 1H J 22 | 71 70 d 1H J 85 | 64 63 q 1H J 52 | 44 44 q 2H J 64 | 42 41 s 2H | 30 29 d 3H J 51 | 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.
FC(F)(F)c1cccc(-c2cc(C(F)(F)F)n3ncc(-c4cccnc4)c3n2)c1
ir: 4 3 4 22 3 4 2 2 1 6 4 4 5 7 6 5 2 4 33 35 5 0 1 4 0 7 3 2 3 2 18 39 29 11 44 22 6 1 2 1 2 5 1 1 2 5 2 94 18 1 1 0 1 1 3 6 3 1 1 0 1 0 11 4 2 3 2 4 14 9 7 7 17 24 51 8 5 5 7 8 7 7 5 1 1 2 3 1 1 1 1 1 4 4 5 8 8 6 74 39 86 4 1 3 1 3 2 2 2 11 4 4 20 52 9 16 30 11 3 19 6 16 4 6 9 24 14 54 3 4 4 4 1 3 7 100 5 0 6 24 39 18 5 2 2 2 1 1 4 76 5 12 8 19 22 10 1 1 1 2 33 6 10 3 9 5 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 1 1 1 1 1 3 2 2 4 5 15 28 50 74 69 18 2 2 3 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 21 | 88 87 s 1H | 87 86 dd 1H J 18 49 | 82 82 q 1H J 16 | 82 81 t 1H J 21 | 79 79 dt 1H J 18 82 | 78 78 m 1H | 78 78 s 0H | 78 77 dd 1H J 68 107 | 76 75 ddd 1H J 15 22 68 | 74 74 dd 1H J 48 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)cc(N)n1
ir: 3 3 3 10 3 2 3 1 2 2 6 5 5 7 11 24 13 7 2 3 5 2 1 2 1 2 1 1 1 1 2 6 13 12 8 5 3 3 2 2 1 2 3 1 2 1 2 2 1 1 1 2 2 2 2 1 1 1 1 2 2 1 8 3 15 13 8 12 6 10 4 13 2 2 3 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 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 2 1 1 1 2 4 2 2 3 2 2 1 1 1 1 1 1 1 1 2 13 15 6 4 4 3 15 12 33 5 6 20 7 8 4 2 9 70 8 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 4 10 11 9 4 2 2 1 2 1 2 1 1 1 1 1 1 1 2 7 10 23 17 2 1 1 1 1 0 2 2 4 35 100 8 3 2 0 1 2 2 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 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; 1HNMR: 66 66 d 1H J 25 | 63 63 d 1H J 20 | 52 52 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(Cc1cn2c(N3CC[C@@H](N(C)C)C3)cccc2n1)[C@H]1CCCc2cccnc21
ir: 11 9 3 17 13 15 13 25 7 8 21 14 19 12 12 5 7 3 6 12 9 4 5 19 20 14 14 8 11 1 3 6 8 9 15 5 5 5 5 17 18 39 19 5 3 7 5 5 6 6 5 12 7 50 62 24 29 15 23 18 26 19 33 24 15 27 50 70 29 14 18 10 7 7 13 15 25 14 32 36 10 58 34 97 56 49 30 100 22 43 22 42 51 14 24 21 20 16 7 29 15 10 17 32 6 5 14 14 9 5 8 12 15 8 19 24 10 7 10 13 10 39 8 7 12 10 11 8 6 9 20 11 9 23 45 34 13 7 10 39 7 8 9 28 12 5 10 28 3 4 7 4 4 6 56 10 50 5 2 18 8 6 3 1 2 6 4 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 3 1 2 3 3 2 4 8 10 6 8 7 6 4 12 40 24 7 11 94 28 33 62 27 24 9 4 5 3 2 3 3 2 1 3 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 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0; 1HNMR: 85 84 dd 1H J 20 48 | 78 78 d 1H J 9 | 75 75 m 2H | 74 74 dd 1H J 13 80 | 72 72 dd 1H J 48 81 | 68 68 dd 1H J 14 61 | 42 42 m 1H | 41 41 m 1H | 40 40 m 1H | 38 37 m 1H | 36 35 dtd 2H J 16 44 75 | 34 34 dddd 1H J 18 42 59 104 | 31 30 dddp 1H J 15 29 43 73 | 29 28 m 2H | 28 27 dt 1H J 62 123 | 27 26 dt 1H J 62 122 | 23 23 d 6H J 15 | 22 19 m 3H | 19 17 m 3H | 16 15 m 2H | 10 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](C(=O)OC(C)(C)C)N1CC(CO)CC1=O
ir: 5 4 2 1 2 2 1 3 3 3 4 6 9 1 2 2 6 5 6 4 7 4 10 2 3 2 1 1 1 1 1 1 1 1 4 1 1 1 2 2 1 2 2 1 1 2 3 1 1 1 2 1 2 4 3 2 6 10 5 1 4 3 2 2 2 3 3 1 1 1 1 2 2 2 1 2 1 1 1 2 1 1 2 2 3 4 26 9 17 18 8 30 6 5 6 6 2 3 2 12 4 2 2 2 5 5 2 6 5 5 4 5 3 4 13 7 6 6 5 11 5 7 5 8 4 2 3 5 2 9 5 7 3 3 3 2 1 1 1 0 1 1 1 1 45 2 1 2 2 60 3 2 2 1 1 1 1 0 1 1 1 0 1 1 1 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 1 0 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 1 0 0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 4 2 2 3 5 2 2 2 6 4 3 5 7 12 18 14 6 5 3 5 3 4 6 9 22 100 38 11 10 6 3 3 2 2 3 1 2 1 3 2 1 3 2 1 1 1 2 2 1 2 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 46 45 tq 1H J 15 63 | 38 37 m 2H | 36 35 m 3H | 26 26 dd 1H J 59 147 | 24 23 m 2H | 20 19 dqd 1H J 63 79 123 | 18 17 dqd 1H J 64 80 123 | 14 14 s 7H | 9 8 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN2C[C@@H](c3ccc(N)cc3)c3ccccc3[C@@H]2C1
ir: 7 5 7 3 4 3 2 1 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 1 6 2 1 1 0 1 1 1 2 1 1 4 1 1 1 2 2 3 1 2 2 1 1 0 1 0 1 1 1 1 3 20 2 0 0 1 2 1 0 1 1 1 0 1 0 1 2 1 0 0 1 1 1 2 4 10 3 3 2 3 2 1 1 3 0 4 9 2 1 1 0 1 3 4 2 3 4 1 1 1 0 1 5 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 5 0 0 1 1 0 0 0 0 0 1 2 1 0 2 2 3 10 15 1 1 1 0 1 1 20 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 7 36 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 15 17 1 0 0 0 0 0 2 1 1 1 100 22 1 1 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 72 71 ddd 1H J 16 73 82 | 71 70 m 2H | 66 66 m 2H | 42 42 m 3H | 39 39 m 1H | 33 32 dd 1H J 33 119 | 31 30 m 2H | 29 27 m 6H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1C(=O)N(Cc2ccc(OC)cc2OC)[C@H]1CC(=O)O
ir: 3 3 1 2 1 2 4 4 4 3 17 5 5 12 4 4 1 5 6 20 15 24 22 28 24 11 6 5 5 3 1 6 10 2 2 3 4 5 3 7 3 1 1 4 4 7 3 3 2 0 3 5 5 9 4 16 4 2 2 2 2 2 3 6 3 2 8 6 7 4 3 2 2 1 3 3 4 9 18 21 7 3 3 3 3 3 6 9 7 6 8 4 3 2 4 4 10 4 7 4 2 5 7 2 1 2 2 1 1 3 6 10 9 15 3 5 10 4 6 9 16 10 6 3 3 3 3 2 3 4 2 5 5 6 3 2 2 2 3 3 7 4 11 38 22 8 4 4 9 8 75 4 2 5 16 4 1 3 2 0 1 2 42 4 2 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 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 2 2 2 2 3 6 3 4 3 4 4 6 4 4 16 11 13 14 13 6 4 2 2 2 3 9 61 100 6 3 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 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; 1HNMR: 71 71 dp 1H J 10 86 | 66 65 m 1H | 65 65 s 1H | 48 48 dd 1H J 8 138 | 45 45 dd 1H J 9 137 | 42 42 q 1H J 82 | 38 38 d 6H J 40 | 29 28 m 2H | 27 26 dd 1H J 81 156 | 18 17 dp 1H J 69 123 | 16 14 m 1H | 9 9 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1ncccc1C(=O)OC
ir: 7 7 6 7 3 7 24 6 2 3 1 1 3 7 1 6 1 1 2 3 5 3 1 1 4 3 1 1 3 1 2 16 2 2 2 2 6 4 7 55 65 41 12 23 36 2 7 3 2 3 3 5 2 2 1 6 8 28 9 10 4 11 16 5 1 1 2 3 1 3 2 12 5 5 15 9 4 4 4 9 12 1 6 2 7 13 15 24 10 15 3 1 2 2 1 2 2 3 9 3 3 5 1 0 1 1 0 1 4 3 1 1 1 1 2 28 5 6 7 3 2 2 2 10 16 6 4 4 7 1 2 1 2 11 18 18 82 16 40 100 19 3 3 13 99 25 2 43 48 17 2 1 7 2 5 28 58 16 5 26 5 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 2 1 4 1 3 2 2 1 5 5 8 11 12 53 53 35 37 17 1 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 20 48 | 80 79 dd 1H J 21 81 | 78 77 ddd 2H J 14 69 88 | 76 75 m 3H | 75 75 ddd 1H J 14 63 74 | 74 73 dt 2H J 9 84 | 70 70 dd 1H J 48 82 | 48 47 t 2H J 9 | 39 39 s 2H | 35 34 t 2H J 67 | 18 16 qt 2H J 66 76 | 9 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(N2CCS(=O)(=O)CC2)cc1
ir: 3 5 6 4 14 5 6 11 9 5 5 3 2 3 8 10 3 4 3 9 1 2 2 2 2 3 2 2 2 3 5 5 13 7 5 5 22 19 5 5 8 3 5 1 2 4 4 4 6 16 7 8 10 12 6 17 31 35 8 5 2 4 1 1 13 2 6 3 8 16 7 2 1 2 1 2 2 2 0 1 2 3 5 6 8 7 7 13 7 30 7 2 2 4 5 3 4 5 2 5 6 6 9 14 35 19 12 9 9 3 2 12 6 3 3 1 2 4 1 6 2 2 2 6 8 6 11 7 5 4 2 3 5 3 0 2 2 1 0 2 3 2 8 7 4 3 3 100 6 10 12 14 26 27 10 4 2 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 15 7 6 2 3 3 4 3 8 21 11 13 18 25 12 6 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 4 5 9 57 5 7 3 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H | 76 76 m 2H | 72 71 m 2H | 70 69 m 2H | 69 68 m 2H | 47 47 s 2H | 37 36 m 4H | 33 32 m 4H | 22 21 ddd 3H J 50 57 106 | 20 20 d 6H J 49 | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1ccc(NC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1C(F)(F)F
ir: 3 3 1 2 2 2 2 3 2 3 8 5 4 2 1 3 4 5 4 4 3 3 7 2 6 8 9 9 4 10 6 8 5 5 8 2 2 3 2 0 6 26 100 15 15 7 4 8 7 4 4 5 4 12 10 13 13 7 9 3 4 2 2 2 2 2 3 4 5 9 3 2 3 2 4 2 2 1 1 2 1 1 2 4 2 2 2 2 3 5 2 2 21 1 5 3 4 8 8 14 6 7 6 8 3 1 2 2 5 6 4 1 1 1 4 3 2 2 4 4 14 10 4 5 2 5 2 2 4 1 2 3 3 2 4 7 16 4 2 1 2 6 11 22 22 11 9 6 8 23 13 11 9 20 6 5 4 4 2 1 2 2 5 4 6 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 2 2 2 3 4 3 10 24 8 11 5 5 3 2 2 2 2 2 2 3 2 3 2 2 3 2 5 5 5 7 21 18 32 27 11 5 6 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 d 1H J 62 | 98 97 s 1H | 81 81 h 1H J 9 | 79 78 m 1H | 76 75 d 2H J 11 | 75 74 dq 1H J 13 62 | 73 72 m 3H | 72 71 m 1H | 67 67 t 1H J 56 | 65 64 d 1H J 90 | 44 43 dt 2H J 11 55 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccc(F)nc1F
ir: 2 4 8 5 6 32 15 10 4 5 8 3 2 5 6 3 2 6 5 3 2 5 6 2 2 5 5 2 2 5 6 4 3 7 8 9 32 88 33 20 5 8 5 1 3 7 4 0 3 8 5 0 6 29 68 25 5 4 4 5 5 6 5 3 7 10 4 2 4 6 5 6 6 6 4 2 4 5 4 4 6 7 8 8 24 22 17 39 47 29 21 12 18 7 1 6 7 6 2 3 6 5 2 3 6 5 2 4 7 6 2 4 6 3 2 4 7 5 2 5 10 5 5 12 10 5 2 18 9 4 2 5 6 3 7 59 100 10 5 7 6 2 2 5 6 8 20 5 5 4 36 41 4 4 4 4 4 68 20 9 5 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 7 4 2 4 5 4 2 3 5 4 4 4 6 5 9 13 9 10 17 11 13 9 6 6 11 28 12 11 6 4 2 4 5 3 2 4 5 3 2 5 5 3 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 76 76 m 1H | 69 69 dd 1H J 73 102 | 53 52 m 1H | 35 35 d 1H J 55 | 17 16 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cccc(-c2cnc3[nH]c4c(c3c2)C(=O)CCC4)c1
ir: 1 2 3 2 2 15 10 5 1 2 8 2 1 3 2 3 2 2 6 2 3 42 12 2 1 4 6 5 6 10 9 10 28 9 4 9 9 34 5 12 26 6 4 2 3 7 8 16 17 3 2 7 3 2 3 2 3 3 1 0 1 2 1 1 2 8 11 18 4 7 11 2 2 3 4 4 3 7 2 1 2 2 4 1 2 2 1 1 3 2 2 4 5 4 4 16 4 5 32 14 4 3 1 1 2 2 1 2 6 3 2 3 9 5 4 2 4 7 5 13 8 4 3 4 14 17 7 4 7 3 1 3 4 1 0 5 11 100 10 3 3 6 4 15 22 6 7 6 3 4 6 14 17 10 23 8 34 1 1 3 3 1 1 2 2 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 3 3 4 3 2 3 2 5 9 9 0 14 38 25 9 7 2 2 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 8 13 15 10 6 3 2 2 3 3 2 2 2 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 1 1 1 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 2 1 1 1 2; 1HNMR: 97 97 s 1H | 87 87 d 1H J 16 | 83 83 t 1H J 21 | 82 82 d 1H J 18 | 79 78 ddd 1H J 12 22 82 | 77 76 t 1H J 80 | 75 74 ddd 1H J 12 21 79 | 29 29 m 2H | 27 26 s 2H | 26 25 m 2H | 21 20 tt 2H J 68 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21
ir: 1 1 1 1 0 1 2 2 2 1 2 1 1 3 2 1 1 2 4 3 3 2 1 1 4 4 1 1 1 2 2 4 7 18 8 4 17 28 5 7 21 7 23 19 6 15 2 3 2 4 2 1 1 1 2 1 1 1 1 1 1 1 1 5 7 3 1 1 9 6 2 1 1 2 2 8 4 3 2 1 1 2 1 1 1 1 2 1 4 6 3 3 1 2 1 3 2 2 1 1 2 2 3 3 2 3 5 2 4 2 2 4 3 1 1 2 2 3 5 7 6 4 5 3 2 2 7 5 10 10 8 4 10 7 11 43 6 6 20 4 4 11 28 4 31 15 6 13 23 5 6 18 11 1 1 2 1 0 1 1 5 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 0 0 0 0 0 0 0 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 1 0 1 2 2 2 4 3 2 2 2 4 3 3 7 11 23 100 38 9 9 3 2 5 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 tt 1H J 15 75 | 75 73 m 5H | 73 72 m 7H | 71 71 ddd 1H J 15 79 86 | 59 58 m 1H | 46 45 pdd 1H J 26 50 80 | 37 37 s 2H | 37 35 m 2H | 24 23 dt 1H J 52 123 | 21 20 dt 1H J 80 121 | 13 13 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCCc1cc2c3c(nc4ccc(Cl)cc4c3c1)-c1ccccc1N2C
ir: 6 3 3 3 3 3 4 3 3 4 3 3 2 3 3 6 3 5 4 6 3 3 3 3 3 3 3 3 3 4 12 25 3 6 3 3 4 5 4 7 8 27 19 11 3 5 6 4 3 3 4 4 3 6 7 0 9 100 8 7 3 7 17 6 7 19 16 5 19 9 9 6 5 5 7 6 4 3 3 3 3 3 3 3 4 4 5 6 8 6 3 3 3 3 3 4 5 8 4 4 7 11 6 4 4 3 3 5 4 4 4 4 8 8 3 8 9 5 5 6 5 13 17 9 5 9 8 9 6 12 6 6 5 4 10 13 11 5 8 9 4 2 2 5 28 10 47 3 15 18 5 6 3 5 9 5 6 3 4 6 30 7 10 2 3 3 4 33 8 6 6 22 7 3 3 3 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 5 3 4 5 5 2 4 7 3 2 4 7 6 5 16 21 30 83 32 44 52 10 4 3 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 26 | 81 81 dd 1H J 11 22 | 81 80 d 1H J 81 | 80 80 dd 1H J 13 89 | 77 77 dd 1H J 25 81 | 75 74 td 1H J 15 86 | 74 73 m 2H | 73 72 dd 1H J 15 71 | 42 42 t 2H J 64 | 36 36 s 3H | 27 26 tt 2H J 10 86 | 21 20 s 3H | 20 19 tt 2H J 63 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Cl)c1N1CCCN(CC(C)C)C1=S
ir: 2 5 7 17 7 5 7 4 2 5 16 10 12 17 17 4 3 11 16 5 9 4 4 6 20 12 4 2 3 4 3 2 2 3 4 4 3 4 10 5 2 4 3 2 6 18 34 12 4 5 5 5 4 5 4 3 7 4 4 3 18 4 3 4 3 5 5 2 7 6 8 4 4 8 3 3 7 7 18 6 6 10 6 4 4 4 15 5 4 4 6 67 4 3 3 4 5 8 15 9 5 5 7 7 7 5 16 14 7 9 14 13 37 7 6 10 14 33 22 10 34 63 3 12 20 11 8 9 22 18 9 7 78 3 0 7 18 6 8 90 35 70 14 3 3 4 11 3 3 3 3 4 4 3 3 5 12 6 3 3 3 3 3 3 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 3 2 3 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 2 2 3 4 2 2 3 3 2 3 4 3 3 2 3 4 3 3 4 5 3 6 6 14 7 18 6 5 7 9 13 10 18 78 15 17 100 17 9 8 6 6 11 3 3 4 3 3 2 3 4 3 2 3 3 3 3 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 73 72 dd 1H J 13 80 | 72 71 t 1H J 81 | 71 71 dp 1H J 9 83 | 43 42 ddd 1H J 49 61 119 | 42 41 ddd 1H J 48 60 121 | 36 35 m 2H | 35 34 d 2H J 58 | 23 23 d 3H J 7 | 20 19 dddd 2H J 18 50 60 102 | 19 18 dtt 1H J 57 72 145 | 9 9 d 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CC(=O)C1(C)C
ir: 23 11 10 4 2 2 2 2 6 7 5 3 4 2 3 5 9 2 3 10 7 8 6 3 4 16 34 15 17 66 23 15 15 14 4 8 9 12 9 4 2 1 1 1 1 1 1 2 1 0 1 2 2 0 3 8 3 0 2 3 3 0 3 8 3 5 3 4 1 0 2 7 7 5 6 8 8 5 3 4 1 2 3 7 3 3 3 2 2 5 10 7 9 3 3 4 3 4 7 5 3 1 2 1 1 1 3 2 1 4 5 7 3 5 5 2 1 6 14 5 8 5 2 4 4 11 33 26 21 15 12 28 30 5 8 9 19 5 6 3 7 4 5 10 24 72 6 22 49 91 73 7 6 2 1 1 1 2 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 0 1 2 2 2 2 5 3 1 1 2 7 7 2 3 16 23 14 23 26 19 14 4 2 1 1 2 1 1 1 2 1 1 2 1 1 2 3 3 2 1 3 2 4 3 32 100 69 13 4 3 2 2 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 55 54 d 1H J 77 | 41 40 tdp 1H J 16 44 73 | 30 29 dd 1H J 59 152 | 28 27 dd 1H J 59 152 | 14 14 s 8H | 12 12 d 3H J 14 | 12 11 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(O)c(C(C)(C)C)c1
ir: 4 2 2 4 4 2 2 3 3 5 2 3 4 2 1 4 6 7 3 4 4 2 3 3 3 2 2 3 2 1 2 3 4 3 1 2 3 5 1 2 2 1 1 3 2 0 2 3 2 0 2 4 4 9 55 4 5 3 4 9 3 4 3 8 13 10 15 14 4 3 2 3 5 5 3 3 5 17 23 10 3 3 11 13 25 16 10 10 9 3 3 2 0 2 8 5 2 2 3 3 3 12 7 3 0 2 4 2 0 1 3 3 0 1 3 1 2 3 6 4 1 4 3 2 1 2 2 2 1 5 3 5 4 4 2 2 1 2 2 1 1 2 3 7 22 7 4 0 1 3 7 2 1 3 4 10 5 2 2 1 1 2 2 1 5 4 3 2 2 3 1 1 1 3 2 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 3 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 2 3 2 4 11 4 17 81 38 9 3 3 2 3 7 100 70 2 2 4 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 68 67 m 4H | 53 53 s 1H | 38 38 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([N+](=O)[O-])CC[C@@H]32)C1
ir: 6 7 2 8 12 6 10 11 9 8 4 10 9 6 1 6 8 7 2 6 9 4 3 7 8 5 5 7 6 2 3 6 5 3 3 7 9 8 6 7 8 2 3 7 4 2 7 7 5 2 8 7 8 21 9 7 6 2 5 10 8 2 11 14 19 6 8 23 12 26 25 23 18 6 51 61 66 59 43 43 14 23 23 20 8 7 16 16 16 25 53 36 26 20 19 16 10 11 8 11 7 6 14 28 25 21 20 23 37 29 50 29 16 10 11 34 18 29 22 32 8 15 37 15 6 17 12 14 14 17 12 7 7 8 12 11 10 12 9 3 4 6 5 2 2 5 5 2 3 7 4 2 2 8 4 2 28 14 5 1 4 7 4 0 3 6 3 0 3 6 3 0 3 6 4 1 4 6 2 1 3 6 2 1 4 5 2 1 4 5 2 1 5 5 2 1 5 5 1 2 5 4 1 2 4 4 1 2 5 4 1 2 5 5 1 3 5 4 1 3 5 3 0 3 6 3 1 3 6 3 1 3 6 3 0 3 5 3 1 4 5 3 1 4 5 2 1 4 5 2 2 5 5 2 2 4 5 2 2 5 5 3 3 5 5 2 4 7 5 8 7 14 18 5 29 37 33 19 23 32 26 11 13 31 100 36 11 12 12 10 9 11 11 24 36 58 66 27 16 9 8 4 8 12 6 4 6 7 5 6 5 8 5 9 8 8 3 5 7 7 3 3 6 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 46 46 ddt 1H J 15 60 79 | 26 26 s 1H | 24 23 dddd 1H J 70 79 88 136 | 22 21 m 1H | 20 17 m 4H | 17 12 m 16H | 13 12 s 2H | 11 10 m 1H | 10 10 s 2H | 9 8 s 2H | 8 7 dddt 1H J 25 44 71 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)(C)C)c(=O)c2ccc(O)cc12
ir: 3 2 3 3 2 1 1 2 4 1 4 1 2 2 3 2 1 3 2 1 2 1 1 1 4 5 19 19 7 10 4 3 0 1 7 1 1 4 4 0 1 1 1 0 1 1 13 10 3 1 1 1 1 1 1 6 3 2 4 1 2 6 2 4 1 2 1 2 3 7 2 2 1 1 1 1 1 0 1 4 2 35 7 6 2 2 0 3 2 1 0 1 3 1 0 1 1 1 1 2 1 1 0 1 1 1 2 1 2 3 1 2 1 2 7 3 2 1 2 12 7 4 12 9 3 7 2 4 3 4 4 4 1 1 3 5 5 2 1 0 14 1 3 3 9 10 1 4 8 13 7 5 2 1 3 1 1 3 6 2 1 0 1 2 4 0 1 1 1 1 1 2 0 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 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 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 3 2 2 2 1 2 2 1 1 1 2 2 3 11 3 5 14 4 2 1 2 1 1 8 100 19 4 3 0 1 1 1 0 2 1 0 0 2 3 3 9 56 14 2 3 0 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 s 1H | 78 77 d 1H J 92 | 72 71 d 1H J 30 | 69 68 dd 1H J 30 92 | 59 58 t 1H J 48 | 43 43 d 2H J 49 | 41 41 t 2H J 65 | 39 38 s 2H | 17 17 p 2H J 68 | 15 14 h 2H J 70 | 14 14 s 8H | 10 9 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2ccc(C(F)(F)F)cn2)n2ncnc2n1
ir: 7 2 1 4 3 2 1 2 4 4 1 2 4 3 3 2 3 25 5 3 4 1 0 2 5 2 1 3 3 3 1 7 3 2 1 3 2 1 2 19 5 1 1 14 6 1 1 3 2 0 3 19 4 2 18 5 2 0 2 3 2 0 3 6 2 1 6 23 5 2 8 4 3 12 13 5 2 5 34 4 3 17 29 5 1 0 14 45 35 50 1 2 2 12 3 2 2 8 4 4 15 4 4 3 4 27 22 4 0 2 5 6 3 5 6 7 100 16 11 10 4 5 3 2 3 4 10 3 35 25 19 4 7 21 10 2 2 2 3 2 1 2 2 1 9 4 4 4 2 2 2 1 1 2 4 8 2 2 2 1 1 3 5 22 7 4 2 8 3 20 10 1 2 3 8 7 3 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 4 3 2 11 13 33 20 81 82 42 29 10 5 3 1 3 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 dq 1H J 13 25 | 84 84 s 1H | 80 79 m 1H | 78 77 d 1H J 103 | 73 73 s 1H | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)CCCl
ir: 36 19 13 9 4 11 4 6 6 9 13 30 52 67 13 7 7 4 2 1 1 1 2 1 1 6 5 3 2 2 1 1 1 2 2 2 4 6 15 1 3 2 2 2 2 2 31 14 6 1 3 5 29 21 3 1 1 1 2 2 4 10 8 6 13 21 7 2 2 2 2 1 1 1 3 8 3 3 2 1 1 1 2 6 94 40 18 6 1 2 1 2 1 2 5 12 6 9 3 1 6 5 17 16 23 12 7 3 3 5 7 7 33 54 100 20 8 20 7 56 28 22 18 10 5 4 2 5 11 33 25 19 11 7 12 10 2 3 3 3 2 4 10 13 84 45 36 8 6 2 1 2 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 6 9 7 16 20 8 5 5 5 8 7 14 11 25 84 98 11 0 2 2 2 0 2 2 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 37 36 s 3H | 36 36 t 2H J 44 | 20 19 t 2H J 44 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CCCCCN1C(=O)c2ccccc2C1=O)C(C)=O
ir: 6 10 16 14 4 4 3 6 5 4 4 2 1 4 4 4 7 14 6 2 2 7 16 4 2 2 2 1 2 2 2 2 9 6 3 4 6 17 19 93 100 27 11 4 2 6 11 2 2 2 1 2 3 3 3 2 3 2 2 1 2 2 5 2 3 4 2 4 6 7 12 3 4 7 9 6 4 2 2 2 2 1 2 3 1 1 2 2 2 1 2 2 1 2 2 2 3 3 3 4 2 3 2 2 2 2 2 3 5 9 2 7 17 22 10 11 7 12 15 23 20 12 10 7 9 8 13 13 10 6 4 7 54 21 9 32 13 3 21 3 4 3 15 34 83 54 18 6 2 2 2 3 5 0 50 3 9 3 2 4 4 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 2 5 3 2 3 5 5 6 6 5 3 5 6 9 5 14 12 9 31 49 39 7 2 3 6 2 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 43 41 m 2H | 37 36 t 2H J 59 | 36 35 tq 1H J 15 80 | 23 23 d 3H J 16 | 20 18 dq 1H J 85 136 | 17 16 m 3H | 15 13 m 4H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)c(Oc2ccc(N(C)C)nc2)c1F
ir: 1 1 3 1 4 2 0 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 2 1 1 1 2 0 2 1 6 10 8 1 0 1 2 6 0 0 1 4 2 9 9 13 4 11 12 12 2 5 28 5 2 2 4 1 0 1 1 1 1 9 2 5 2 1 1 1 1 0 1 1 1 2 0 1 1 1 1 1 2 1 0 1 0 2 1 4 4 2 2 1 1 1 1 2 5 2 1 1 2 12 4 7 17 37 11 12 4 7 4 1 7 2 3 4 4 26 21 3 3 3 9 4 3 2 3 2 1 1 2 2 2 34 10 14 2 1 1 1 1 1 2 1 44 7 2 1 1 1 0 0 4 2 67 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 3 7 2 4 19 15 2 2 3 1 1 1 1 0 0 0 1 1 1 1 1 2 12 100 13 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 19 | 72 71 d 1H J 81 | 71 70 m 1H | 70 69 dd 1H J 18 79 | 69 69 d 1H J 79 | 46 46 m 1H | 32 31 s 5H | 27 26 d 1H J 86 | 21 20 dqd 1H J 46 64 128 | 19 18 dqd 1H J 46 64 129 | 12 12 s 8H | 9 8 td 4H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1C(=O)/N=c1/[nH]c2c(s1)COCC2
ir: 1 2 2 1 4 1 3 1 1 8 2 1 0 3 1 1 2 1 1 3 1 1 2 3 1 4 2 1 2 2 4 4 2 2 1 1 1 2 1 3 2 5 4 1 4 3 6 1 5 4 7 72 20 15 4 2 2 2 1 1 1 1 5 3 1 2 5 1 7 1 1 2 1 2 15 1 2 2 3 1 1 1 1 1 2 4 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 8 1 1 2 2 16 1 1 1 0 5 2 2 5 2 3 11 3 2 2 2 2 2 1 2 3 2 1 1 1 1 1 1 1 5 2 1 1 1 2 7 25 5 5 2 51 7 4 3 2 3 15 92 13 3 2 1 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 2 1 3 16 7 3 1 1 1 2 1 0 1 2 1 0 1 1 1 2 1 2 1 0 1 2 2 3 8 22 100 18 2 2 2 2 0 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 25 | 75 75 dd 1H J 26 86 | 72 72 s 1H | 72 71 d 1H J 86 | 42 42 t 2H J 10 | 39 39 s 3H | 38 37 m 2H | 25 25 ddt 2H J 10 43 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCNc1nc(N)c2ncn([C@@H]3O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c2n1
ir: 1 2 2 7 6 4 3 3 4 5 5 3 2 3 3 2 4 1 1 3 2 4 8 5 4 3 2 2 2 1 2 2 1 2 5 2 1 1 1 1 1 2 1 3 2 1 1 1 2 4 11 13 4 5 4 5 2 2 1 2 2 4 3 2 1 1 1 1 3 3 3 4 3 3 8 5 12 4 9 9 2 3 3 4 6 2 1 2 4 2 3 2 1 2 3 10 1 5 2 3 4 2 3 2 2 2 2 2 2 2 1 1 1 1 0 1 2 2 1 1 2 1 4 3 3 2 1 1 1 1 2 7 4 4 4 4 2 2 1 2 2 2 1 2 2 3 4 12 3 2 1 10 17 2 4 24 8 2 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 2 1 1 1 1 1 0 0 0 1 2 6 16 2 3 2 2 1 1 2 2 6 3 3 7 5 3 8 100 38 7 7 6 4 1 4 5 36 2 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: 98 98 s 1H | 83 83 d 1H J 7 | 73 72 s 2H | 64 64 d 2H J 62 | 61 60 m 2H | 54 54 d 1H J 60 | 48 47 m 2H | 42 42 dttd 1H J 8 18 46 55 | 41 40 m 1H | 38 37 tt 1H J 50 62 | 35 35 td 2H J 46 68 | 30 29 ddd 1H J 18 37 137 | 29 28 m 4H | 28 27 m 2H | 26 26 dt 1H J 62 141 | 22 21 dtd 1H J 49 61 139 | 19 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@]2(C#Cc1cccc(C)c1)OC(=O)C1CCCC1
ir: 2 2 9 5 7 7 6 6 12 19 8 5 3 3 1 3 6 3 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 3 1 2 1 2 2 2 2 4 11 12 12 4 6 4 10 4 3 1 1 2 1 2 1 1 1 1 1 3 4 3 5 2 3 2 2 2 2 2 3 3 3 1 1 1 1 3 2 1 1 2 10 12 1 1 1 1 2 3 7 2 2 1 0 3 4 8 6 3 1 5 2 1 5 10 20 13 44 12 8 7 26 16 9 7 10 2 3 3 4 2 5 4 9 5 5 2 2 4 12 20 5 4 2 1 2 5 27 7 3 1 33 9 2 1 1 6 100 24 4 3 11 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 2 2 6 5 6 4 7 2 5 8 6 44 10 28 51 21 6 3 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 72 m 1H | 72 71 m 1H | 38 37 m 2H | 37 37 s 2H | 37 36 m 1H | 25 24 m 3H | 25 25 s 2H | 22 21 m 2H | 20 19 m 5H | 18 16 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(/C=C(\CCCCl)C(=O)NNC(=O)OC(C)(C)C)ccc1-n1cnc(C)c1
ir: 3 3 4 6 6 6 3 4 3 4 7 6 3 10 5 4 1 4 3 2 2 2 2 1 2 2 2 1 1 9 3 2 1 4 12 6 6 19 6 3 4 5 4 7 7 4 4 3 4 5 3 1 11 9 2 4 7 14 3 1 8 27 11 2 4 4 6 2 6 10 3 2 8 7 2 3 2 3 4 2 4 2 1 1 2 1 2 3 3 2 4 11 2 2 3 7 4 7 5 8 13 25 3 3 2 3 3 11 0 33 9 9 10 9 17 7 7 11 12 21 10 7 6 5 4 4 12 9 18 10 10 7 9 2 4 27 11 10 7 6 3 4 2 8 30 5 4 17 3 2 10 7 3 6 11 7 3 1 1 2 1 0 1 13 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 4 2 2 4 8 4 4 8 7 6 8 4 4 6 6 8 14 63 86 19 11 36 35 100 4 7 2 0 2 3 1 1 3 2 2 1 2 3 2 2 4 7 7 7 17 17 14 13 4 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 d 1H J 60 | 79 79 d 1H J 18 | 79 79 d 1H J 59 | 76 75 d 1H J 81 | 75 74 m 2H | 74 74 t 1H J 15 | 71 71 d 1H J 20 | 39 39 s 3H | 36 35 t 2H J 36 | 26 25 td 2H J 15 67 | 23 23 d 3H J 7 | 21 20 tt 2H J 36 68 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nn(-c2ccc(F)cc2F)c2c1C1CCC2C1
ir: 9 9 10 9 11 18 19 12 7 12 12 11 17 10 11 9 10 13 18 9 10 12 10 10 11 11 8 11 8 9 9 8 8 7 9 8 8 8 8 8 7 10 8 8 8 9 8 7 7 8 8 9 9 12 18 35 7 8 8 7 16 6 8 8 8 7 8 20 9 8 7 8 8 7 7 8 11 8 13 8 8 7 7 8 8 8 8 9 10 8 7 8 9 7 7 7 7 9 7 7 7 7 7 8 8 8 9 9 8 8 7 9 8 9 9 10 9 9 7 8 11 8 7 8 8 7 7 8 8 7 8 18 9 6 5 16 11 9 10 7 6 8 13 9 21 10 9 9 9 9 10 11 13 21 76 61 15 8 11 8 8 8 9 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 9 9 8 9 8 10 8 11 9 10 11 8 10 26 22 10 9 8 8 7 8 8 7 7 8 8 7 6 9 9 8 40 10 8 7 7 8 8 6 6 10 10 0 22 100 5 11 10 5 6 9 8 6 7 9 8 6 7 8 8 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 7 8 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 78 77 m 1H | 72 71 m 2H | 56 55 s 2H | 33 32 m 1H | 29 29 p 1H J 38 | 23 22 dddd 2H J 35 56 121 173 | 22 21 ddt 1H J 35 53 124 | 21 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(N2CCC(O)C2)s1
ir: 1 3 7 5 1 3 2 6 4 6 7 9 6 4 3 2 4 3 2 2 1 2 3 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 4 1 1 1 0 1 2 2 1 2 2 4 2 2 2 3 5 3 3 3 1 3 2 2 4 3 2 1 3 2 3 1 3 3 19 12 6 27 28 29 38 23 10 11 13 9 6 11 4 7 8 2 1 5 5 6 8 5 8 4 5 6 5 3 4 8 3 3 3 2 2 1 2 11 11 13 14 7 2 3 2 3 2 3 15 7 1 1 1 1 7 4 2 1 1 1 3 10 9 9 7 3 1 1 2 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 2 3 2 2 3 3 3 3 4 2 6 2 5 7 6 3 17 17 12 5 3 5 5 1 7 15 66 100 53 16 5 7 5 2 4 3 5 2 3 3 2 3 5 3 4 4 4 2 2 2 3 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 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: 79 79 s 1H | 42 42 dp 1H J 36 45 | 40 39 m 1H | 39 39 s 2H | 37 36 m 3H | 35 35 d 1H J 44 | 22 21 dddd 1H J 37 56 73 128 | 19 19 dddd 1H J 36 56 73 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCC1SCC2C1N(C(C)=O)C(=O)N2C(C)=O
ir: 6 4 6 3 3 3 3 5 6 5 4 10 3 3 4 7 4 3 3 6 8 17 4 2 4 3 4 2 2 2 2 1 2 4 5 2 2 3 4 6 11 13 7 9 36 25 7 7 6 13 4 3 3 4 3 2 2 2 2 2 3 2 4 2 3 4 5 2 6 9 45 6 8 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 7 5 3 2 3 3 6 6 4 4 4 3 3 3 6 4 13 4 7 6 4 6 3 4 3 4 4 15 5 6 11 10 3 3 5 3 1 3 4 9 9 6 8 14 24 8 3 5 3 3 5 9 17 11 6 68 41 2 0 5 4 0 2 8 100 8 3 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 2 2 6 3 4 2 4 6 4 3 3 3 4 7 10 7 13 10 13 9 3 4 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 46 45 q 1H J 34 | 44 44 dd 1H J 37 51 | 37 36 s 2H | 34 34 q 1H J 49 | 33 32 dd 1H J 33 123 | 30 30 dd 1H J 33 125 | 24 23 m 8H | 18 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(OCc2ccccc2)c1Br
ir: 2 1 1 1 1 2 2 8 4 4 0 1 2 0 0 1 2 1 0 2 2 0 1 1 1 1 1 2 5 3 11 11 10 1 3 9 3 9 5 13 22 13 5 3 5 8 11 38 18 1 2 1 1 1 1 1 1 1 1 1 2 2 4 1 2 2 5 9 19 6 5 4 4 7 1 2 1 1 2 2 1 3 3 1 1 4 2 2 8 7 1 1 5 2 4 2 1 7 4 1 0 1 1 1 0 1 2 2 1 1 2 1 0 1 1 0 0 1 2 2 5 2 2 2 1 3 2 1 0 1 1 3 0 7 16 26 14 2 7 43 5 3 11 12 7 5 3 2 1 1 2 4 3 2 3 45 4 4 2 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 1 2 1 1 1 2 4 5 14 24 31 100 81 9 12 2 3 1 5 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dq 2H J 10 74 | 74 73 m 2H | 74 73 m 1H | 73 72 td 1H J 52 77 | 70 69 ddd 1H J 11 77 101 | 68 68 dd 1H J 12 75 | 51 51 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)nc(S(C)(=O)=O)nc2n1Cc1ccccc1
ir: 3 4 3 3 4 4 8 3 4 4 2 11 6 4 5 5 4 2 2 5 7 3 10 15 8 6 7 5 1 2 8 7 27 48 9 5 9 10 8 20 7 7 7 9 3 3 3 2 1 1 2 3 1 2 2 2 2 2 2 2 7 3 4 6 3 1 3 11 13 4 2 2 2 2 2 2 2 4 4 2 2 5 16 7 4 100 5 3 4 10 6 3 8 3 2 2 2 2 4 2 2 2 4 9 7 4 3 2 1 1 2 5 2 1 2 2 2 2 3 5 6 13 6 3 2 2 2 2 3 4 4 27 1 7 7 10 7 3 3 1 34 18 16 6 25 5 7 7 14 12 24 6 4 10 2 1 31 5 35 1 1 2 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 2 2 2 2 2 2 8 25 14 9 6 16 5 4 2 2 2 1 1 2 2 1 1 1 1 2 1 2 6 48 2 2 1 1 2 2 1 1 2 3 0 33 18 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 s 2H | 74 73 dddd 3H J 10 20 47 56 | 73 73 m 2H | 73 72 m 1H | 56 55 t 2H J 8 | 49 49 s 2H | 38 37 s 3H | 35 34 s 3H | 30 29 q 2H J 74 | 12 11 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCSCc1ccccc1
ir: 9 4 0 6 6 10 6 5 7 5 2 6 4 2 1 4 7 3 3 5 3 2 1 3 4 2 1 2 9 7 16 12 20 11 6 12 39 47 23 9 8 4 9 9 7 4 6 4 3 1 1 3 2 1 2 8 6 4 4 4 3 0 3 4 3 0 2 7 6 10 2 3 2 2 2 3 7 8 8 6 3 6 6 8 15 48 50 89 41 42 21 31 12 11 9 5 3 13 5 3 1 2 3 2 1 2 3 6 9 4 6 7 2 5 4 3 1 3 4 3 1 3 5 1 2 5 6 3 1 3 3 2 1 7 29 33 18 5 3 2 1 7 39 25 20 6 2 2 1 2 3 9 6 3 2 1 1 2 2 1 1 2 1 0 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 3 2 1 4 2 2 2 2 2 1 2 3 3 2 4 3 4 2 4 6 6 3 3 4 2 4 4 21 16 23 21 26 100 13 9 5 6 22 49 89 75 13 6 6 3 2 3 2 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 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 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 2 1 0 1 2 1 0; 1HNMR: 74 73 m 4H | 73 72 m 1H | 38 37 dt 2H J 43 56 | 37 37 d 2H J 7 | 29 29 t 1H J 57 | 28 27 t 2H J 43
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]c2c(=O)ccccc2c1=O
ir: 9 9 5 11 11 9 2 5 7 6 5 7 6 3 1 8 14 8 4 5 6 4 3 4 5 2 2 10 7 2 1 5 5 2 2 5 4 1 2 6 4 1 4 8 5 0 4 34 50 81 69 10 6 4 8 52 40 19 14 26 22 12 10 6 5 7 5 6 5 9 34 29 8 6 8 6 3 2 12 7 4 5 5 6 25 4 4 5 3 2 4 4 2 3 6 10 9 3 6 4 2 3 5 4 8 16 6 4 2 6 11 28 6 7 8 3 3 5 6 4 2 6 21 16 4 4 6 4 10 25 8 4 5 28 49 30 3 5 5 2 18 32 9 31 44 13 27 18 11 7 6 17 100 56 12 6 6 20 14 8 11 14 4 16 17 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 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 3 4 3 3 4 5 3 2 3 4 4 3 3 4 3 2 4 8 6 4 7 12 35 20 32 16 4 3 4 5 3 3 3 4 3 3 5 4 3 3 4 7 4 8 5 8 69 71 70 47 8 3 6 6 3 3 4 4 2 3 4 4 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 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 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1; 1HNMR: 83 83 d 1H J 64 | 81 81 dd 1H J 10 103 | 76 75 m 1H | 75 75 ddd 1H J 10 94 103 | 73 72 dd 1H J 10 109 | 69 68 d 1H J 62 | 43 43 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(C#N)cc(CBr)c1
ir: 1 2 2 2 7 5 8 3 2 2 1 1 1 1 2 2 2 1 1 1 1 1 2 2 2 2 2 1 1 14 4 3 3 45 56 29 11 4 2 1 2 2 2 3 5 3 2 1 1 2 2 1 1 2 1 1 2 4 2 2 1 3 1 0 2 4 39 100 76 4 2 3 1 0 2 2 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 7 32 10 5 9 15 2 2 2 3 5 3 2 1 1 3 5 11 14 3 3 5 2 1 1 2 1 1 1 1 2 2 2 2 4 15 40 54 3 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 9 23 2 25 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 2 3 4 1 0 15 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 5 18 7 3 1 1 1 1 5 5 25 2 49 74 36 46 9 8 7 3 2 1 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; 1HNMR: 79 78 t 1H J 22 | 77 77 dt 2H J 9 21 | 45 45 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNCc1cccc(N)c1C
ir: 4 2 2 1 2 1 1 1 1 0 0 1 2 1 1 1 1 2 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 0 0 1 2 2 2 13 3 1 5 6 2 1 2 3 3 3 1 1 0 1 1 1 1 2 1 1 1 1 1 1 0 1 1 3 2 1 2 2 1 1 2 1 1 2 1 0 0 0 0 0 1 1 1 0 2 3 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 13 9 3 2 1 1 2 6 3 1 1 1 0 1 1 1 1 1 1 1 1 1 2 7 4 1 1 1 1 2 2 1 0 0 0 0 1 1 2 1 1 2 2 4 16 19 1 2 1 8 14 6 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 5 4 1 1 0 1 1 1 0 1 1 2 0 1 1 1 0 1 12 42 100 5 1 2 1 1 0 1 1 5 6 47 8 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 t 1H J 81 | 69 68 dq 1H J 9 83 | 66 65 dd 1H J 13 80 | 39 38 d 1H J 8 | 39 38 s 3H | 37 36 tt 1H J 41 60 | 29 28 qd 2H J 41 58 | 22 21 s 2H | 12 11 t 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(CCBr)cc1
ir: 1 1 2 3 4 2 1 1 1 1 1 1 0 3 4 11 13 7 5 3 1 1 1 1 0 0 0 1 2 1 1 1 2 4 1 2 1 2 11 3 2 1 1 1 1 3 4 2 2 3 5 7 13 28 25 52 19 7 6 2 5 24 26 4 9 4 2 0 2 17 12 2 1 0 1 1 0 1 1 1 0 1 1 0 1 2 4 0 2 1 4 9 23 3 2 2 2 2 4 18 14 4 1 1 3 1 0 1 2 1 3 2 8 9 8 7 7 10 17 10 6 3 8 5 2 7 3 4 10 6 8 15 24 7 1 2 2 1 1 1 1 0 0 1 1 0 1 4 10 94 36 3 3 12 10 2 2 1 1 0 0 1 1 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 2 4 4 4 3 5 7 9 5 3 2 5 5 15 40 29 12 76 100 41 16 8 6 6 2 2 1 2 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 72 m 2H | 70 69 dp 2H J 9 69 | 36 35 t 2H J 45 | 32 31 tt 2H J 9 44 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC2CCC(=O)N2c2cc(O)cc(O)c21
ir: 13 3 1 2 3 1 1 2 8 6 2 3 5 11 6 5 11 7 3 5 7 13 3 6 11 14 7 20 16 19 90 77 23 15 5 3 2 1 1 2 3 5 23 36 5 2 2 6 4 0 2 3 3 0 2 4 3 6 5 12 8 3 3 3 3 11 49 38 25 2 6 4 6 3 6 10 2 2 3 4 3 97 52 13 58 12 8 9 5 9 9 20 13 5 4 3 1 2 7 14 16 3 8 13 6 5 13 6 4 8 6 4 2 11 6 4 9 14 10 11 10 8 6 2 0 4 5 3 3 5 2 2 3 3 2 3 7 4 3 1 1 2 2 1 1 3 3 1 6 17 2 5 15 2 2 2 2 0 40 2 3 6 16 22 2 3 1 0 2 4 2 0 1 3 1 0 2 3 1 1 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 3 3 2 2 2 2 1 2 3 3 2 3 5 4 1 2 4 3 2 4 8 12 6 5 22 12 6 27 49 26 20 38 100 36 4 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 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 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 0 1 2 1 0 1 2 1 0; 1HNMR: 85 85 s 1H | 64 64 d 1H J 22 | 62 62 d 1H J 22 | 46 45 tt 1H J 49 60 | 32 31 m 2H | 27 26 ddd 1H J 47 65 139 | 25 25 ddd 1H J 47 65 139 | 21 20 ddt 1H J 48 64 125 | 18 18 ddt 1H J 48 64 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C=CC(=O)C2=O
ir: 0 1 2 1 1 1 1 1 1 2 2 1 3 5 9 14 23 4 3 2 2 4 3 8 8 15 5 3 2 3 4 2 1 1 1 1 1 2 2 0 0 5 16 65 9 1 1 3 1 1 1 2 2 2 37 36 7 1 2 2 3 3 10 12 6 2 12 19 40 8 4 5 3 5 4 2 2 1 1 1 1 1 1 1 1 37 16 1 2 2 1 1 3 2 6 10 11 62 10 3 1 1 2 2 1 1 4 21 10 5 3 1 2 1 1 2 4 10 6 3 1 1 1 2 3 2 1 2 1 1 2 5 5 1 1 3 27 4 0 2 2 1 18 2 2 2 7 4 3 2 3 29 13 11 10 12 7 28 6 3 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 0 2 2 3 3 4 7 15 18 45 100 17 8 2 1 2 3 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 84 | 79 78 dd 1H J 22 90 | 72 72 t 1H J 23 | 71 71 dd 1H J 24 84 | 67 67 d 1H J 91 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1C2
ir: 3 5 4 4 5 6 4 3 2 2 5 5 5 10 24 4 4 5 9 20 34 31 7 13 8 8 6 5 5 2 3 2 4 3 2 2 2 2 2 2 4 2 2 2 2 1 2 2 2 1 2 12 2 2 2 2 2 4 2 1 5 4 2 2 2 2 3 2 2 2 3 4 2 2 4 4 7 9 40 15 5 4 5 4 3 3 2 2 2 2 2 2 2 2 3 2 1 2 6 5 4 9 4 6 38 7 2 2 2 2 2 7 3 2 2 2 7 3 2 2 3 2 2 2 2 2 3 3 6 10 5 4 7 2 2 2 4 10 13 4 3 4 2 8 9 4 3 2 2 3 4 4 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 6 2 2 3 6 5 4 4 4 4 14 17 3 1 3 3 2 0 2 6 3 100 10 0 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 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 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; 1HNMR: 62 61 m 2H | 37 37 s 2H | 33 32 m 2H | 32 31 m 2H | 19 18 dtdd 1H J 9 18 37 107 | 16 15 dtt 1H J 9 33 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1sc2cc(OCc3ccccc3)ccc2c1Br
ir: 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 0 1 2 2 2 2 1 1 1 1 1 0 1 2 5 12 5 3 1 1 2 2 3 4 34 7 3 3 1 1 1 1 1 0 1 1 1 4 29 14 2 1 3 3 1 1 1 4 2 2 4 21 16 5 2 1 1 1 1 1 1 2 2 2 2 1 1 1 1 3 1 1 13 8 3 1 1 1 1 1 1 4 3 1 1 1 1 1 1 1 1 4 1 1 1 1 1 0 1 1 2 3 2 1 2 2 2 3 1 2 3 1 1 1 0 1 1 2 4 20 3 1 0 1 2 3 15 14 5 1 2 1 2 0 13 5 6 3 2 1 1 1 1 1 1 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 8 4 14 100 32 2 2 1 1 2 3 2 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 78 | 76 75 d 1H J 22 | 74 74 dq 2H J 11 66 | 74 73 m 2H | 73 73 m 1H | 70 69 dd 1H J 22 79 | 51 50 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C[C@@H]1CCc2cc(SC(=O)N(C)C)ccc21
ir: 7 3 4 17 100 63 12 5 3 3 4 1 1 1 2 1 0 2 5 5 0 2 2 1 1 3 20 2 2 2 2 3 1 1 2 1 1 1 1 1 1 2 2 1 2 3 2 1 1 4 4 6 4 14 12 14 3 2 2 1 2 1 2 9 1 2 4 4 2 4 5 2 2 2 8 4 2 2 5 4 2 1 1 2 1 2 10 2 3 15 4 2 4 2 2 2 2 4 6 5 3 3 4 2 2 2 6 12 5 4 4 6 13 26 16 3 6 4 6 6 9 7 5 4 5 4 5 4 10 7 4 3 11 9 6 3 3 1 2 3 2 6 5 11 30 5 2 1 1 6 2 1 6 1 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 2 2 2 1 1 3 5 3 4 1 3 1 5 4 5 25 16 9 8 25 12 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 21 78 | 74 74 m 1H | 72 71 dd 1H J 7 79 | 42 41 q 2H J 64 | 33 32 m 1H | 31 30 s 5H | 30 29 ddddd 1H J 9 18 57 75 139 | 28 27 m 2H | 26 25 dd 1H J 77 167 | 22 21 dddd 1H J 47 56 75 133 | 20 19 m 1H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1oc(=O)c2ccccc2c1-c1cccc(F)c1
ir: 8 5 1 5 7 5 4 6 6 7 2 7 7 5 3 5 6 3 1 5 5 2 2 4 5 2 2 5 6 3 3 6 5 2 2 7 5 3 3 7 5 4 21 16 8 2 7 24 28 3 4 6 3 0 3 6 3 0 3 6 5 1 4 6 4 4 8 7 6 4 7 12 4 1 4 7 3 2 7 5 3 3 6 21 12 12 19 34 23 7 6 5 4 2 5 5 2 2 6 5 3 4 5 4 1 6 19 13 0 3 6 3 1 3 6 3 1 3 9 8 14 14 7 4 3 6 7 4 2 4 5 2 1 4 4 2 4 11 11 3 2 7 4 2 2 5 8 2 9 5 4 5 5 8 9 8 8 9 4 1 3 16 15 2 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 4 3 5 4 1 2 5 4 1 3 5 4 2 4 10 7 8 33 56 29 10 7 7 5 2 10 100 56 4 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 4 2 3 4 3 2 3 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 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 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 80 80 m 1H | 76 75 m 2H | 75 74 m 2H | 72 71 m 2H | 71 71 m 1H | 44 43 qd 1H J 57 68 | 43 43 d 1H J 55 | 14 14 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C=C[C@H]1[C@@H](C(=O)O)C1(C)C
ir: 2 6 3 2 2 6 3 3 1 2 3 2 10 4 2 4 9 4 12 21 63 100 25 4 4 7 3 2 2 1 1 1 1 2 1 1 2 3 2 1 2 1 2 3 2 4 4 3 1 1 1 1 1 0 1 2 3 2 1 2 1 0 1 1 1 1 1 5 2 1 1 1 1 2 3 10 20 37 20 7 3 3 3 2 6 8 3 3 1 2 15 3 0 0 1 1 0 0 1 1 1 3 1 1 0 1 7 12 1 1 1 1 0 1 1 1 1 3 3 3 1 1 1 1 1 4 5 2 1 2 3 1 0 1 2 1 0 2 2 19 7 9 8 1 1 1 3 1 1 2 10 2 1 1 1 1 3 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 2 1 2 5 4 5 5 2 13 9 1 1 1 1 1 1 1 1 7 30 8 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 79 78 s 1H | 50 50 m 1H | 48 48 d 2H J 33 | 20 19 ddtt 1H J 15 32 62 123 | 15 15 dh 1H J 15 62 | 12 12 t 3H J 15 | 12 12 t 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2cnoc2)cc1
ir: 2 2 2 2 2 3 3 3 3 2 11 8 3 2 3 2 2 2 3 2 2 2 2 3 4 2 2 3 2 3 7 4 11 3 3 2 3 2 3 7 18 5 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 4 3 2 2 2 2 3 10 4 5 12 12 3 2 10 18 2 2 2 2 5 2 2 2 2 2 2 2 2 2 18 3 4 2 2 2 2 2 2 4 5 2 2 2 2 2 2 2 0 7 1 2 3 6 2 2 3 2 2 2 3 3 2 3 3 2 3 3 2 3 2 2 2 2 2 2 2 11 3 2 2 2 2 3 9 21 5 4 4 2 2 2 2 9 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 6 4 7 6 100 19 8 3 2 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 d 1H J 18 | 79 78 d 1H J 17 | 74 74 dq 2H J 11 73 | 74 73 m 2H | 73 73 m 1H | 50 50 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(/C=C/c2cccc(C(=O)O)c2)cc1
ir: 3 3 3 3 3 4 3 4 3 3 4 4 13 15 15 7 9 5 10 4 7 80 100 15 12 4 4 5 4 4 7 7 4 4 3 4 3 3 3 4 4 2 3 3 3 3 6 9 4 3 3 3 4 8 21 22 5 3 3 4 3 2 3 3 4 3 3 4 4 3 5 4 4 4 9 18 10 5 28 44 19 5 9 4 4 3 5 6 5 3 3 3 3 5 3 3 5 4 3 3 3 3 4 15 3 3 3 3 3 3 3 3 2 3 5 12 14 9 4 5 3 5 6 6 14 10 5 3 3 3 3 3 3 7 4 4 3 3 3 3 8 4 13 8 9 20 20 9 19 3 5 4 9 6 3 4 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 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 4 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 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 4 3 2 4 5 9 8 9 19 9 54 20 13 4 2 4 6 3 0 73 66 7 8 2 0 4 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 81 81 t 1H J 21 | 80 79 m 3H | 76 76 m 1H | 75 74 m 3H | 71 71 d 1H J 156 | 71 70 d 1H J 159
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2cc(C(=O)N3CCCC3)ccc2N1
ir: 0 1 5 1 2 42 15 3 1 1 3 1 1 1 1 1 7 3 15 6 9 27 14 2 2 6 3 1 1 1 1 1 1 2 2 4 3 12 22 4 2 3 3 1 1 2 2 4 1 2 4 0 1 4 6 28 8 0 1 1 2 1 2 3 1 1 1 1 2 4 3 10 1 1 1 1 1 1 1 1 1 1 1 1 3 6 12 3 1 1 1 3 3 2 1 1 2 3 1 1 1 2 6 14 1 1 2 2 4 12 7 6 1 3 4 4 23 12 6 1 1 10 5 2 3 6 7 2 2 3 7 5 19 2 5 1 1 0 1 0 1 2 7 1 1 2 13 17 3 14 3 1 4 5 4 2 46 8 4 3 2 2 4 3 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 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 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 2 1 1 1 1 1 1 1 0 1 1 1 1 4 2 2 1 1 1 1 2 2 11 4 7 13 12 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 3 2 3 10 22 100 15 1 1 3 3 2 1 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 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 m 1H | 78 78 dd 1H J 20 88 | 72 71 d 1H J 88 | 36 35 m 4H | 35 35 d 2H J 10 | 20 19 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CCc1ccc(CN)cc1
ir: 1 1 1 1 1 1 1 2 1 3 3 2 1 2 2 3 3 2 2 4 11 7 2 0 1 1 1 0 1 0 0 1 1 1 1 2 2 2 1 1 2 2 2 2 3 2 1 5 7 5 4 5 5 18 20 16 6 1 4 7 6 14 15 6 3 1 4 4 3 23 44 100 19 16 6 4 6 9 11 12 9 3 1 1 2 4 3 1 1 2 2 3 2 4 4 16 11 3 1 2 4 1 1 1 1 1 0 1 2 1 1 1 2 2 1 3 2 3 5 6 24 14 12 15 12 8 9 12 7 10 10 18 30 26 17 6 7 7 3 3 2 1 1 1 1 1 1 6 10 3 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 1 1 2 1 1 1 3 1 2 1 1 1 2 4 5 9 9 10 41 35 11 5 3 1 2 2 1 2 2 4 10 7 13 12 24 42 23 6 5 10 15 77 67 14 7 4 2 3 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 72 dt 2H J 9 80 | 72 71 dt 2H J 8 79 | 41 40 tt 2H J 9 63 | 27 26 tt 2H J 9 73 | 15 15 t 2H J 73 | 15 14 t 2H J 63 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4OC)n3)c(OC)cc21
ir: 1 2 2 3 0 2 6 2 1 1 1 2 1 1 2 1 1 1 3 1 1 2 6 5 2 4 2 12 16 16 5 13 3 5 3 1 3 3 8 7 4 5 10 9 5 5 4 1 2 3 3 2 9 17 26 4 3 13 1 3 2 2 3 1 3 5 6 10 6 6 5 1 2 1 1 1 2 2 0 0 1 1 1 1 4 2 2 1 1 1 1 1 1 4 1 1 3 2 1 1 5 1 1 1 2 6 3 11 6 3 2 1 10 3 1 2 3 2 2 2 4 2 4 3 4 4 1 3 2 2 3 2 13 2 10 17 33 9 6 1 2 1 1 1 5 2 5 3 6 70 31 4 1 14 3 5 28 63 9 2 2 3 5 2 1 2 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 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 2 2 7 2 2 3 9 9 6 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 10 1 3 100 27 27 16 3 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 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; 1HNMR: 85 85 s 1H | 83 82 s 1H | 76 76 m 2H | 73 73 t 1H J 8 | 72 71 td 1H J 13 77 | 71 70 td 1H J 13 80 | 70 69 dd 1H J 13 82 | 69 69 s 1H | 39 39 m 8H | 29 28 td 2H J 9 92 | 26 25 m 2H | 20 19 tt 2H J 83 91 | 12 12 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1c2cc(Cl)ccc2C(CC(=O)OC)C1C(=O)c1cc(C)ccn1
ir: 7 7 30 8 14 6 10 11 3 14 21 16 34 4 4 2 10 2 3 61 2 2 2 3 4 37 4 3 2 1 2 14 10 7 3 4 8 7 2 0 2 5 3 1 5 2 1 1 4 1 1 9 11 13 11 0 4 2 2 1 2 4 20 4 16 17 13 21 4 3 4 5 2 7 13 10 3 2 3 1 1 3 5 1 10 1 1 1 2 5 19 12 53 14 6 2 4 2 2 3 8 18 17 4 12 11 0 21 9 3 2 1 2 3 5 6 5 5 3 4 11 13 12 22 10 19 7 3 12 13 19 5 29 21 2 3 2 1 1 1 1 1 4 5 7 50 5 3 4 44 11 26 2 13 100 10 2 1 1 11 10 7 7 2 3 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 5 1 1 2 2 2 5 4 6 4 11 7 8 19 16 9 31 54 21 13 5 11 4 2 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 49 | 78 78 d 1H J 21 | 77 77 d 1H J 18 | 73 72 m 3H | 50 49 d 1H J 92 | 43 42 q 2H J 66 | 39 38 m 1H | 36 35 s 3H | 28 27 dd 1H J 74 166 | 27 26 dd 1H J 74 166 | 24 24 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1Cn1cc(NC(=O)OC(C)(C)C)cn1
ir: 1 4 3 7 5 7 4 2 4 7 3 10 4 2 4 8 6 5 13 7 2 2 3 2 1 1 1 1 1 1 3 6 1 1 1 1 2 10 3 1 2 2 2 1 3 0 37 33 4 5 2 0 1 1 2 0 2 2 6 5 2 2 2 5 9 6 4 3 8 12 4 2 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 3 22 2 1 1 1 2 3 4 1 1 1 1 1 2 7 3 15 9 9 5 2 2 1 1 3 5 2 4 5 5 6 5 3 2 2 8 100 12 9 4 4 8 1 1 2 12 1 1 3 2 3 5 11 5 5 4 6 12 53 31 13 2 2 1 0 1 1 1 1 3 12 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 3 2 1 2 2 2 2 1 2 3 4 5 7 22 6 4 1 1 12 9 4 3 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 5 44 31 9 5 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 s 1H | 74 74 s 1H | 64 64 s 1H | 53 53 d 2H J 9 | 23 23 d 7H J 48 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN([C@H](CN2CCCC2)c2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1
ir: 2 3 3 10 7 5 4 4 3 3 3 4 5 3 5 7 12 5 14 11 8 4 5 4 12 5 2 3 3 9 18 26 14 12 7 3 1 15 73 14 8 42 78 14 7 4 8 6 7 5 2 3 3 13 29 19 24 9 4 11 7 9 5 3 3 10 15 20 37 20 5 6 3 3 2 3 7 7 21 57 26 3 4 4 3 2 4 8 15 7 13 19 27 20 5 5 9 19 11 7 6 2 6 4 3 7 5 13 12 4 16 15 29 8 1 4 9 4 4 8 12 29 2 11 9 13 13 8 8 11 21 13 8 3 31 29 6 35 8 7 6 2 7 48 50 37 12 21 42 81 25 5 8 12 11 2 1 3 2 3 3 11 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 1 1 2 1 3 10 9 7 1 6 14 32 8 6 13 33 20 28 100 94 23 8 2 3 5 3 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 t 1H J 15 | 75 74 d 1H J 83 | 74 72 m 7H | 47 47 t 1H J 57 | 46 45 d 1H J 11 | 38 37 ddd 1H J 37 62 123 | 37 36 ddd 1H J 38 63 123 | 31 30 dd 1H J 57 113 | 29 28 m 5H | 28 27 m 2H | 19 18 p 4H J 21
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1c2cc(Cl)sc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
ir: 0 2 3 1 1 2 6 5 2 7 2 2 0 4 3 2 4 15 12 7 10 5 1 6 5 13 6 4 2 2 0 1 1 5 1 1 1 2 2 1 2 2 3 15 6 2 1 9 18 18 4 1 4 2 1 2 3 1 1 1 1 3 1 2 4 9 3 7 4 9 4 9 36 32 31 10 5 3 0 0 1 2 1 9 1 1 1 0 2 9 6 9 4 6 4 4 6 14 1 2 3 17 7 1 1 1 1 2 3 10 15 4 8 5 6 3 2 2 0 3 5 11 27 74 3 25 3 17 100 17 16 4 2 1 1 1 1 2 1 1 1 1 6 1 1 1 2 1 1 1 2 3 34 4 3 8 8 4 1 2 1 18 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 0 0 1 1 0 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 0 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 1 1 1 1 4 1 3 2 2 2 1 1 1 3 7 5 10 7 8 35 24 19 13 4 3 1 1 1 1 1 1 1 1 1 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 d 1H J 14 | 84 84 d 1H J 14 | 69 69 s 1H | 65 65 s 1H | 41 40 m 2H | 35 34 s 3H | 31 30 dd 2H J 36 45
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(C(=O)O)nn(-c2ccccc2)c1=O
ir: 4 3 0 1 2 1 5 3 2 5 1 5 9 2 2 7 2 1 1 3 4 10 100 63 8 2 1 2 3 3 1 1 2 2 3 5 15 1 1 1 1 3 2 15 4 2 2 1 1 0 1 2 13 38 6 2 3 1 1 1 1 0 1 2 1 0 2 5 6 3 2 2 2 1 1 3 4 9 40 13 4 3 3 3 1 1 3 2 4 15 5 1 0 1 2 1 0 1 1 1 0 1 2 5 55 1 2 1 1 4 8 2 0 1 2 1 0 1 2 1 2 1 5 2 1 1 1 1 1 2 13 5 6 2 3 3 20 3 1 1 1 1 1 1 9 4 1 2 1 1 1 5 2 1 7 17 1 1 1 14 1 11 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 10 26 8 2 2 2 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 78 78 m 2H | 75 74 m 3H | 73 72 m 1H | 36 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H](CN1CC[C@H](CCOC(c2ccccc2)c2ccccc2)[C@@H](O)C1)c1ccc(F)cc1
ir: 1 4 2 2 2 2 4 6 3 7 4 4 5 6 10 11 7 12 10 11 6 5 5 4 2 14 6 4 4 3 9 9 12 8 7 0 4 1 10 33 20 10 4 2 3 3 3 2 1 1 1 2 4 9 22 1 8 5 3 1 2 3 1 1 6 2 2 10 10 18 7 10 4 6 4 2 2 3 2 3 3 12 4 5 15 20 19 11 4 15 6 4 8 22 42 17 11 13 4 5 5 3 1 3 4 3 2 2 2 2 1 2 1 2 2 2 3 4 2 3 8 2 2 3 4 2 5 5 3 2 2 1 1 1 5 39 4 1 0 2 2 2 7 11 8 5 5 35 7 3 1 4 5 1 1 2 1 0 0 1 1 1 0 1 1 0 1 1 0 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 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 1 1 1 1 0 1 2 2 2 1 1 1 3 2 4 3 2 6 11 22 100 29 12 4 6 8 20 7 60 3 4 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 12H | 71 70 m 2H | 56 56 s 1H | 50 49 m 1H | 39 38 m 2H | 37 36 dt 1H J 57 114 | 35 35 dt 1H J 57 113 | 32 31 dd 1H J 55 123 | 31 31 d 1H J 62 | 30 28 m 4H | 27 26 dd 1H J 54 116 | 18 16 m 2H | 15 14 m 2H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC12C=CC(CC1)C2
ir: 9 17 3 7 4 5 5 4 5 3 7 3 4 3 2 3 4 11 4 7 30 8 38 45 45 70 25 31 10 12 8 3 4 6 5 2 3 4 3 2 3 4 19 8 4 4 4 5 5 5 5 3 4 6 12 34 4 3 3 8 4 4 11 5 6 4 4 3 5 4 6 11 3 5 12 4 3 3 29 4 4 16 4 4 9 7 6 4 5 4 4 6 8 7 7 7 6 4 11 4 3 6 23 6 13 20 8 12 6 11 10 7 8 12 5 15 22 23 17 17 12 13 10 5 7 8 5 3 4 7 3 5 5 6 7 8 13 50 40 91 14 10 6 3 4 4 4 5 6 12 14 11 13 10 5 4 4 4 4 3 3 4 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 7 50 0 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 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 6 6 6 11 11 15 7 10 7 19 19 21 34 43 52 51 100 29 17 12 9 5 8 4 4 4 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 64 63 ddt 1H J 9 18 75 | 62 61 ddt 1H J 9 44 75 | 32 32 tdd 1H J 22 37 52 | 24 23 ddd 1H J 11 23 105 | 21 20 m 2H | 19 18 m 2H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2CC1c1ccccc1
ir: 0 2 16 3 7 42 33 5 1 4 9 4 5 17 3 2 21 2 1 7 2 2 3 3 1 1 1 1 0 2 6 4 9 9 6 0 1 1 1 1 5 7 13 0 13 10 64 4 5 5 6 3 1 3 53 3 6 5 3 2 2 2 44 0 7 7 2 2 11 22 6 3 2 2 2 1 33 3 3 9 13 3 3 25 14 3 2 15 7 10 4 66 100 5 31 5 3 5 32 12 5 3 2 5 38 3 1 1 1 1 0 1 2 1 1 1 3 1 1 2 3 13 21 10 6 4 2 2 1 3 4 3 1 1 1 31 4 3 32 1 2 10 13 14 21 65 9 8 5 7 2 3 14 1 3 1 1 1 1 3 3 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 2 1 1 1 2 2 2 2 5 32 15 21 74 39 14 11 12 3 3 1 0 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 26 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 d 1H J 37 | 77 77 m 2H | 75 75 m 2H | 74 72 m 5H | 72 72 dt 1H J 8 37 | 48 47 td 1H J 8 71 | 47 46 m 1H | 46 45 dd 1H J 8 151 | 35 35 dd 1H J 71 141 | 33 32 dd 1H J 71 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(-c2c(N)n[nH]c2N)ncn1
ir: 13 13 11 10 11 11 12 10 16 13 20 12 11 18 14 16 11 9 9 11 12 17 12 18 19 16 22 19 10 15 10 9 10 12 18 8 27 33 15 9 12 8 20 7 10 11 9 8 26 18 15 10 10 9 8 8 8 12 9 9 10 8 11 13 17 26 66 25 10 7 9 10 7 7 8 8 8 10 8 9 6 10 13 10 11 8 8 8 6 7 8 8 9 13 9 8 7 7 12 88 9 7 6 7 8 8 18 8 7 8 7 18 7 7 9 8 18 14 8 9 8 7 7 8 7 7 7 7 8 7 7 7 11 11 8 7 8 8 40 8 7 8 8 8 9 19 13 28 10 9 27 23 51 16 15 6 10 20 45 39 37 45 9 11 8 7 7 8 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 6 7 7 6 7 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 6 7 6 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 7 6 7 7 6 7 7 7 6 7 8 7 6 7 7 8 6 7 8 8 6 8 9 20 11 8 11 13 9 10 8 7 6 7 8 7 6 7 8 6 6 8 10 7 41 95 9 8 7 11 14 6 8 17 12 0 48 100 3 14 11 4 5 9 8 5 7 10 8 5 6 8 7 5 6 8 7 5 7 8 7 6 7 8 7 6 7 8 7 6 7 7 7 7 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7; 1HNMR: 86 85 d 1H J 16 | 73 73 d 1H J 16 | 61 61 s 2H | 58 58 s 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CCc2cccc(C)c2C)c1C
ir: 1 1 1 1 0 1 1 1 1 1 2 3 2 1 1 1 1 2 3 1 1 1 1 0 0 1 1 2 1 1 1 1 1 1 5 16 3 1 1 1 1 1 1 4 4 17 49 17 0 5 2 0 1 1 1 1 1 3 9 1 1 1 1 1 1 3 3 1 4 4 4 2 1 1 1 2 2 2 2 3 7 2 1 1 1 1 1 2 2 8 17 9 7 5 3 4 3 2 3 16 5 3 2 1 3 1 4 11 7 2 1 3 0 4 2 1 4 2 2 1 2 2 1 1 1 1 2 2 1 2 1 1 1 2 3 3 3 6 11 63 97 7 5 4 2 1 1 1 1 1 1 1 1 1 1 1 18 14 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 3 2 1 5 4 7 4 5 3 1 4 4 5 21 23 5 57 100 49 8 4 8 4 1 2 3 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 t 2H J 79 | 69 69 m 2H | 69 68 dq 2H J 9 78 | 30 29 s 4H | 22 22 d 7H J 7 | 22 21 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cnc3[nH]c4cnc(C#N)c(SC5CCNCC5)c4c3c2)cn1
ir: 2 1 1 2 6 6 5 12 4 5 5 3 8 31 3 3 3 1 6 100 5 12 2 4 3 2 1 3 11 3 3 6 5 4 4 4 8 7 41 7 5 1 5 25 3 5 5 7 15 18 4 5 4 10 4 6 6 2 10 4 4 2 1 3 5 14 6 5 10 9 8 4 3 1 3 3 1 1 1 1 2 7 4 2 2 1 1 1 4 14 17 4 1 2 1 3 12 5 4 6 2 2 2 8 4 2 3 3 15 29 11 16 15 13 11 25 12 3 7 5 9 8 2 7 23 2 10 7 6 15 4 15 5 10 3 11 3 3 2 0 40 2 2 0 3 7 3 46 4 9 36 51 80 8 0 5 3 18 3 3 1 2 2 3 3 2 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 4 2 1 1 4 3 3 7 2 4 3 9 5 4 22 5 2 1 1 2 2 2 2 2 3 4 3 5 11 71 19 11 8 7 3 14 23 9 33 7 1 2 3 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 86 85 d 1H J 16 | 82 82 d 1H J 16 | 80 80 s 1H | 76 75 s 1H | 39 39 s 3H | 36 35 p 1H J 35 | 34 33 p 1H J 48 | 31 30 dddd 2H J 22 35 49 134 | 29 28 dddd 2H J 22 35 49 134 | 21 20 dtd 2H J 22 49 128 | 18 17 dtd 2H J 22 49 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2c(s1)C(C)(F)COc1cc(F)c(C#C[C@]3(O)CCN(C)C3=O)cc1-2
ir: 15 21 3 6 3 4 6 4 8 3 5 8 4 3 2 2 2 2 5 3 6 8 4 10 4 6 1 4 13 7 11 16 8 3 3 5 3 3 6 4 4 3 2 3 2 2 2 6 4 1 2 2 2 1 3 2 2 1 5 3 4 4 6 6 3 4 6 6 23 19 3 3 4 5 8 15 40 28 7 3 3 2 3 7 2 5 3 4 19 7 7 5 17 16 34 39 6 6 26 4 14 2 3 4 2 2 3 7 7 3 5 3 12 5 8 4 5 6 33 11 8 10 9 5 1 9 4 4 4 8 18 3 3 3 2 1 1 2 3 1 1 10 3 0 1 29 1 4 16 11 1 2 2 21 2 2 1 1 1 1 1 1 1 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 2 1 1 1 1 1 1 2 2 3 6 2 2 2 3 4 5 2 3 2 4 5 4 12 11 7 3 31 12 5 2 1 2 3 5 100 77 2 2 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 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 47 | 69 69 d 1H J 122 | 49 48 t 1H J 128 | 46 45 m 1H | 45 44 s 1H | 44 43 q 2H J 64 | 34 33 ddd 1H J 33 51 117 | 33 32 ddd 1H J 31 49 115 | 30 29 s 3H | 25 24 ddd 1H J 33 51 123 | 22 22 ddd 1H J 31 49 123 | 21 21 s 1H | 21 20 s 1H | 13 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)c2sccc2Br)c(F)c1
ir: 9 4 6 5 2 2 3 3 6 2 2 2 1 3 4 2 3 5 4 3 2 3 1 2 3 5 30 9 4 2 1 5 8 8 3 6 2 3 6 3 9 11 8 3 13 11 5 3 11 14 17 6 3 1 17 38 18 13 4 1 1 1 2 2 3 7 5 16 11 1 2 4 2 0 4 4 1 1 1 1 0 0 1 0 0 0 0 1 4 8 3 1 1 0 1 0 1 1 0 10 10 9 2 1 0 0 1 0 1 0 1 1 0 1 2 3 6 10 8 28 10 15 12 23 34 12 6 11 4 0 0 1 1 17 4 3 3 0 1 11 6 2 2 2 2 3 4 4 14 8 9 2 3 17 4 1 1 0 1 1 0 1 12 0 1 4 11 36 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 2 12 21 2 19 37 28 10 17 100 24 5 6 5 3 2 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 4 6 42 10 3 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 100 s 1H | 80 79 dd 1H J 47 96 | 76 76 d 1H J 51 | 73 73 d 1H J 49 | 69 68 dd 1H J 21 121 | 68 67 dd 1H J 22 95 | 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)OC(=O)CCCc1nc2cc(N)ccc2n1C
ir: 14 25 26 16 89 33 28 24 10 11 6 7 10 5 3 3 5 7 3 4 3 5 10 6 5 4 8 6 6 4 3 4 5 3 6 5 4 6 6 6 3 2 4 3 4 2 2 4 3 3 3 7 14 47 7 6 5 4 3 4 3 4 3 8 12 3 4 5 12 8 3 3 2 2 3 4 3 2 5 22 17 10 5 3 3 2 3 2 3 3 6 4 2 2 3 5 2 3 2 3 4 5 5 3 4 12 15 9 6 6 7 9 3 9 6 3 3 6 7 7 5 8 5 10 5 10 4 5 8 6 5 22 6 2 3 2 1 4 9 9 15 9 4 4 15 17 29 6 3 3 4 10 3 37 49 25 24 34 19 4 3 3 2 0 53 10 3 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 1 2 2 2 2 2 3 2 3 3 3 6 3 7 3 3 5 4 5 6 4 11 18 15 24 30 28 10 6 3 3 2 2 2 2 2 2 2 2 2 2 3 5 29 70 7 4 2 2 3 2 2 3 6 19 75 100 28 9 5 3 3 3 2 2 2 2 2 2 2 2 2 2 1 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 d 1H J 82 | 68 68 d 1H J 21 | 67 67 dd 1H J 21 81 | 54 53 s 2H | 40 40 dq 1H J 60 119 | 39 38 s 3H | 30 29 t 2H J 69 | 25 25 t 2H J 89 | 20 19 tt 2H J 70 89 | 12 12 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)CCOCCc1ccccc1
ir: 3 3 4 8 4 4 5 6 5 4 6 4 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 9 7 5 4 3 3 3 4 10 19 16 7 30 6 7 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 8 13 0 4 5 8 3 3 4 3 3 5 3 3 5 4 3 3 3 3 3 6 4 3 3 3 3 3 3 4 4 5 3 3 3 3 3 3 3 3 3 3 4 5 11 4 4 4 3 3 3 3 4 4 4 4 5 3 4 3 3 5 4 4 19 9 4 4 42 54 6 4 3 3 4 6 100 4 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 6 4 4 3 3 3 3 3 4 6 12 6 7 35 10 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 73 72 m 3H | 72 71 dtdd 2H J 11 20 40 51 | 38 37 t 2H J 51 | 36 36 t 2H J 60 | 29 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOc1ccc2cc(-c3cc4ccccc4o3)ccc2c1Cl
ir: 1 2 3 3 3 3 3 2 2 3 5 4 3 3 3 11 10 10 5 3 2 4 11 4 5 3 3 3 2 3 3 2 5 4 7 4 100 10 3 3 6 5 5 5 7 10 4 4 2 2 2 2 5 26 27 15 38 32 5 1 5 9 4 3 16 6 4 1 12 12 8 3 4 2 2 2 2 3 2 2 8 3 4 7 2 2 1 2 3 4 2 3 11 4 5 7 3 3 2 5 3 3 4 3 3 5 23 7 2 3 2 2 2 3 10 2 3 2 2 3 4 3 2 14 2 3 5 4 3 2 2 16 7 2 2 2 3 2 2 7 10 3 4 10 18 8 2 4 3 2 2 3 4 13 10 6 7 21 4 6 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 3 19 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 3 2 2 3 3 2 3 4 4 7 9 8 94 71 36 6 6 4 3 4 3 2 2 3 2 1 2 2 2 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 83 82 t 1H J 22 | 81 81 d 1H J 97 | 78 78 m 2H | 76 75 m 1H | 75 74 m 1H | 73 72 m 2H | 71 71 d 1H J 84 | 70 70 d 1H J 20 | 49 49 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)C(C(=O)c2ccc(Cl)cc2)C(=O)C1
ir: 1 0 5 2 3 1 1 5 3 3 1 2 2 1 8 3 2 4 3 6 2 12 10 3 2 1 1 1 1 1 5 1 0 1 1 3 17 2 2 1 2 1 2 4 1 1 3 4 1 1 1 1 1 1 12 12 11 4 2 2 1 1 2 3 4 3 1 1 1 10 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 5 1 3 3 1 1 1 1 2 4 1 1 1 1 2 1 0 2 2 4 1 2 1 0 1 0 1 1 1 1 4 16 6 3 6 14 11 8 16 12 16 16 3 9 25 5 3 3 4 2 2 3 6 8 6 13 55 31 9 49 23 14 24 24 2 1 0 1 1 1 0 1 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 2 2 1 1 1 4 8 3 3 3 4 3 5 10 25 7 100 10 19 5 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 75 74 m 2H | 48 47 s 1H | 27 26 s 4H | 11 10 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccccc2)Cc2c3c(c(Cl)c(Cl)c2C1=O)OC(CO)C3
ir: 9 11 7 7 3 3 3 6 3 14 5 3 5 38 3 15 0 8 5 9 3 4 6 4 4 4 3 3 5 11 7 25 12 19 6 5 4 7 4 5 10 38 67 3 6 6 3 2 4 9 9 6 3 4 4 12 6 6 3 1 3 4 9 3 3 5 4 5 14 12 3 4 7 6 5 21 7 9 4 5 8 6 4 4 4 8 100 88 82 10 2 1 5 14 16 37 7 5 5 6 6 5 4 7 7 3 2 3 6 3 3 11 9 3 3 4 6 4 13 5 6 3 5 4 5 3 23 7 3 3 3 3 4 6 8 47 6 5 3 3 3 5 2 23 41 20 8 9 4 4 2 4 3 34 4 13 3 1 2 4 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 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 3 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 2 2 3 2 2 2 2 2 2 4 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 4 5 8 4 5 3 3 3 15 10 19 38 16 23 34 57 18 5 1 4 9 4 90 5 0 3 4 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 3 3 2 2 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 74 73 m 4H | 73 72 m 1H | 50 50 tt 1H J 33 53 | 42 42 t 1H J 59 | 40 39 ddd 1H J 33 59 119 | 38 37 ddd 1H J 33 59 119 | 34 33 dd 1H J 53 158 | 32 31 m 2H | 30 29 d 1H J 156 | 16 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1COC(=O)N1
ir: 0 9 17 11 18 18 18 8 5 20 28 12 12 25 33 37 46 36 30 12 6 14 14 11 7 13 14 5 4 12 12 3 5 13 12 3 5 13 10 2 5 14 10 1 6 16 10 1 7 15 11 3 10 16 9 0 8 16 10 1 9 17 8 1 9 15 6 3 11 16 8 3 11 14 6 4 11 14 5 3 11 12 4 3 12 12 4 4 12 11 3 5 13 10 2 5 13 10 2 6 14 10 2 7 16 10 3 9 16 18 5 16 19 9 2 20 22 36 53 21 24 9 3 13 22 12 22 10 14 6 3 16 15 10 7 12 13 5 4 11 12 4 5 12 11 4 4 12 11 3 6 14 17 66 88 100 99 11 11 13 9 1 7 14 9 1 7 14 8 1 7 15 7 1 8 14 7 1 8 14 6 2 9 13 6 2 9 12 5 3 10 12 5 3 10 11 5 4 11 11 4 4 11 10 4 5 12 10 3 5 12 9 3 6 12 9 2 6 13 9 2 7 13 8 1 7 14 8 1 8 14 7 2 8 13 7 2 9 13 6 3 9 12 6 3 9 12 6 4 10 11 5 4 11 11 5 5 11 11 5 5 12 10 4 6 11 10 4 6 13 10 5 7 13 9 3 7 12 10 5 9 14 11 7 23 20 9 2 8 13 7 3 9 13 7 4 9 12 7 4 10 13 9 5 10 11 7 6 18 27 63 51 83 50 8 9 15 13 5 6 12 10 4 7 12 10 4 6 12 9 3 7 12 9 3 7 13 8 2 7 13 8 2 8 13 7 3 8 12 7 3 8 12 7 3 9 11 6 4 9 11 6 4 9 11 6 5 10 10 5 5 10 10 5 5 10 10 5 6 11 9 4 6 11 9 4 6 11 8 4 7 12 8 3 7 12 8 3 7 12; 1HNMR: 51 50 d 1H J 69 | 43 42 dd 1H J 25 111 | 41 40 m 2H | 12 12 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C2CC(CC2F)N1C(=O)OCc1ccccc1
ir: 12 11 12 35 21 9 17 10 8 8 20 11 7 5 13 11 6 6 13 6 6 10 7 4 3 5 5 5 6 12 20 11 4 7 10 5 8 15 7 78 58 22 9 8 4 4 4 2 3 6 5 2 3 5 4 6 6 7 6 6 3 5 19 27 7 13 7 9 14 19 12 8 8 8 8 10 12 10 6 4 5 5 2 3 5 5 16 2 8 17 1 3 5 5 3 7 9 14 17 8 11 11 28 37 31 11 10 17 18 9 8 15 16 39 15 9 9 12 12 5 10 6 16 8 9 6 4 10 9 7 16 41 11 22 18 9 15 15 5 6 7 10 25 77 28 10 11 12 9 5 96 100 6 2 3 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 3 1 1 3 3 2 2 4 3 1 2 4 3 2 2 4 4 1 3 5 3 2 3 4 6 6 13 10 9 9 24 34 37 20 42 36 38 70 35 22 8 6 4 6 3 1 5 6 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 73 m 5H | 51 51 s 2H | 51 50 q 0H J 36 | 49 49 q 0H J 36 | 46 45 m 2H | 42 41 m 2H | 30 29 m 1H | 25 24 m 1H | 23 21 m 2H | 20 19 m 1H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CO)c1ncc(N)cc1C(F)(F)F
ir: 16 16 31 13 9 17 21 13 9 9 27 10 10 8 7 8 9 8 7 8 9 8 8 8 8 8 8 8 8 8 8 9 8 8 8 9 8 8 8 9 8 9 13 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 9 8 7 8 8 8 7 8 12 9 8 8 9 8 10 18 8 8 7 8 9 8 12 10 9 8 8 10 11 12 15 24 11 11 9 9 9 7 8 15 9 9 9 8 8 8 9 8 8 7 8 8 11 7 8 8 8 9 8 8 8 7 8 8 8 8 8 9 8 7 9 9 8 9 11 13 9 13 8 8 7 7 8 8 7 7 8 8 28 8 7 8 8 9 9 36 8 8 13 14 8 8 9 8 7 13 9 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 8 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 10 9 8 9 10 8 7 8 8 8 8 13 9 8 7 8 8 7 7 8 8 8 18 17 9 7 7 8 9 7 6 9 10 0 100 15 6 9 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7; 1HNMR: 76 75 d 1H J 16 | 72 72 dq 1H J 9 18 | 44 43 s 2H | 38 38 d 2H J 71 | 30 29 t 1H J 70 | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C(NC1CC1)P(=O)(OCC)OCC
ir: 1 5 4 4 2 6 3 2 2 2 2 2 7 10 14 8 10 5 3 1 1 1 1 1 1 1 1 1 2 1 3 8 10 6 5 8 5 7 19 8 47 40 11 10 3 5 5 3 8 2 3 2 5 1 3 2 2 7 4 8 6 1 1 2 1 2 22 11 11 4 10 2 11 13 30 8 34 18 18 1 5 72 100 7 4 2 2 2 2 1 1 1 1 2 3 6 4 5 19 8 4 2 1 1 1 1 0 1 2 1 0 1 2 4 5 9 10 44 12 18 7 4 1 2 2 1 1 2 2 7 6 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 1 1 4 3 2 10 7 5 11 6 3 2 4 2 2 5 2 2 1 1 1 1 1 1 1 1 2 1 15 11 8 52 18 11 4 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 1 0 0 1 0 0 0 1; 1HNMR: 42 41 m 8H | 38 37 dd 1H J 62 110 | 34 33 q 1H J 114 | 27 26 dp 1H J 36 60 | 13 13 m 12H | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@@H](N)CCCCNC(=O)O
ir: 2 1 1 2 5 2 1 2 2 3 3 3 4 5 5 6 8 12 12 4 7 7 32 12 7 11 11 16 30 17 25 18 7 4 2 5 3 3 2 3 6 3 1 2 2 3 2 2 3 2 2 3 2 1 2 2 2 5 2 1 11 22 43 5 3 2 3 4 2 4 3 4 2 3 4 2 12 48 30 6 6 8 7 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 6 3 2 4 4 5 3 2 4 2 2 3 3 2 2 3 4 3 4 3 4 9 11 6 4 3 3 3 2 1 1 3 4 7 12 23 6 8 6 12 3 1 1 3 4 5 6 23 43 4 7 3 2 2 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 2 2 2 3 37 59 12 4 3 14 29 18 17 28 4 6 3 56 50 3 4 4 4 4 7 88 100 19 6 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 100 s 1H | 65 64 s 2H | 62 62 t 1H J 51 | 47 46 d 2H J 59 | 36 35 tt 1H J 50 58 | 31 30 q 2H J 54 | 19 18 dtd 1H J 50 81 148 | 16 13 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ncc(OCc2ccc(OCOC)cc2)c(Br)c1=O
ir: 7 8 3 4 3 4 2 6 7 8 17 10 6 4 3 15 7 10 18 11 11 12 7 6 5 4 2 3 4 1 1 3 3 2 3 7 4 1 1 3 2 0 1 4 3 5 8 62 34 6 17 17 22 60 44 7 4 14 12 4 12 7 4 4 5 2 13 14 4 9 12 25 17 11 8 5 14 9 10 3 1 1 2 2 1 3 11 28 6 11 7 3 9 4 6 3 3 7 26 4 2 2 2 2 1 2 3 5 1 1 2 5 4 3 6 5 2 3 7 13 3 27 19 13 7 14 8 6 8 7 58 20 3 7 16 10 1 2 2 0 46 3 1 2 2 2 3 18 65 11 10 7 6 6 13 100 20 28 12 1 1 3 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 2 1 0 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 2 2 1 1 1 2 1 3 3 3 2 3 3 5 3 3 3 3 2 4 14 13 14 38 59 37 12 5 6 3 1 3 3 1 1 2 2 2 1 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 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 1 1 1 0 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: 73 72 m 3H | 69 69 m 2H | 53 52 t 2H J 9 | 52 52 s 2H | 41 40 q 2H J 74 | 35 35 s 2H | 14 13 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNC(=O)c1cc2nc(Nc3nc4ccc(OC(F)(F)F)cc4s3)n(C)c2cc1F
ir: 2 1 2 3 4 2 2 1 1 3 6 4 4 4 4 2 5 4 4 15 4 2 2 9 6 4 3 4 12 1 5 3 2 2 2 8 3 2 6 6 4 4 10 12 23 7 13 5 2 2 1 1 1 1 4 11 4 4 2 1 3 2 1 1 1 2 6 9 3 3 1 1 1 1 0 0 1 1 2 1 3 2 1 1 0 0 2 2 7 1 2 2 3 1 2 2 2 9 6 13 33 12 19 2 1 3 0 1 3 2 3 1 5 2 0 2 1 2 3 4 6 3 4 4 4 9 3 2 2 1 1 4 2 4 1 1 7 1 1 3 24 3 2 5 6 2 11 25 6 6 9 5 4 7 18 100 6 2 1 5 2 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 3 3 6 24 19 4 2 0 1 1 1 0 1 0 0 1 1 1 1 1 1 0 1 1 5 4 10 32 16 49 34 6 2 3 1 2 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 46 | 78 78 d 1H J 22 | 77 76 t 1H J 52 | 76 75 d 1H J 68 | 74 73 d 1H J 121 | 73 73 dd 1H J 21 69 | 67 67 s 1H | 38 37 s 3H | 37 36 td 2H J 42 49 | 36 36 m 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(C(=O)OC)cc21
ir: 8 18 5 19 7 7 12 4 4 3 2 2 2 2 2 2 2 4 4 6 3 1 2 5 5 1 1 1 1 2 2 1 2 3 3 2 3 2 2 1 2 2 1 1 1 2 1 1 2 1 6 8 5 5 4 8 14 10 2 2 1 3 4 0 1 1 1 2 3 6 2 1 1 1 1 3 2 7 3 3 1 1 1 1 1 1 1 1 9 5 1 3 1 2 1 1 1 1 2 0 1 4 0 1 2 2 4 2 1 1 2 5 7 4 3 9 3 3 3 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 10 1 0 1 1 2 7 1 14 3 1 3 1 1 1 2 8 17 3 2 11 53 3 2 1 0 0 2 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 4 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 2 1 0 1 1 1 0 1 1 1 1 1 2 2 3 7 5 3 31 8 2 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 5 15 2 1 1 0 0 2 1 2 2 5 100 5 5 4 3 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 81 d 1H J 69 | 81 80 d 1H J 22 | 79 79 dd 1H J 20 70 | 76 75 m 2H | 68 68 m 2H | 45 44 s 2H | 42 42 q 2H J 52 | 39 39 s 3H | 14 13 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1(O)CCCc2cnccc21
ir: 2 2 2 1 1 2 1 1 2 3 5 3 2 5 5 3 0 7 35 20 22 100 18 13 24 6 1 3 4 1 0 1 2 2 1 5 2 2 1 1 1 0 1 2 4 2 1 1 1 1 0 1 1 0 1 2 5 0 1 1 2 2 2 2 1 1 1 2 1 1 4 5 2 7 20 88 15 10 9 21 8 5 9 4 2 4 8 9 6 16 17 50 5 8 5 4 2 1 1 2 1 1 0 19 2 1 1 1 1 1 1 6 7 2 3 4 3 2 3 2 2 1 3 3 2 1 1 1 1 5 3 1 0 1 1 1 0 1 1 1 1 13 3 1 3 6 1 0 8 1 1 1 0 3 1 0 0 1 1 2 12 0 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 1 0 0 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 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 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 1 1 1 0 1 3 3 1 1 14 3 1 1 1 1 1 3 3 4 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 14 47 | 84 83 q 1H J 11 | 72 72 d 1H J 46 | 48 47 s 1H | 29 27 m 2H | 25 24 ddd 1H J 62 88 143 | 22 21 ddd 1H J 61 89 142 | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCCCC(=O)O
ir: 16 8 3 10 12 5 7 9 7 32 32 60 13 10 5 9 7 12 27 11 54 68 57 40 41 19 4 6 6 3 2 6 4 2 4 7 4 3 13 18 7 9 4 8 4 2 4 10 6 1 3 7 3 0 4 5 3 0 4 8 2 3 5 6 3 0 3 5 2 1 3 4 5 9 9 23 18 26 54 100 18 16 13 12 4 4 15 21 5 2 7 9 4 4 6 7 4 4 9 8 3 6 9 4 2 3 6 6 24 16 11 5 27 25 17 14 11 13 12 18 7 22 22 24 5 20 16 14 10 7 15 8 15 16 6 2 4 5 7 5 3 13 10 13 17 15 8 6 3 6 22 59 8 5 3 2 2 3 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 5 2 1 2 4 2 0 2 4 2 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 4 2 1 3 3 1 1 3 3 1 1 4 3 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 5 3 0 2 4 2 0 2 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 5 3 1 3 9 4 2 10 12 6 5 5 8 4 3 8 29 60 19 5 7 4 1 3 6 2 1 6 13 34 84 33 5 5 4 2 3 2 2 2 2 2 2 2 2 2 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 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 100 99 s 1H | 41 40 m 2H | 40 39 m 1H | 25 24 m 1H | 24 23 t 2H J 87 | 23 22 m 1H | 20 19 dtd 1H J 61 71 131 | 17 15 m 3H | 15 14 m 1H | 15 14 s 9H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2c(n(C)c1C)C(=O)Nc1ccccc1N2C(=O)CCl
ir: 1 6 5 1 3 2 6 5 1 2 3 6 1 10 3 2 1 4 3 4 21 4 7 8 3 7 16 4 13 29 4 6 12 5 47 2 4 6 5 2 6 22 26 10 67 8 6 28 10 48 4 3 3 0 1 2 1 1 3 5 2 2 2 1 1 1 2 3 2 3 2 1 2 2 3 5 1 2 1 1 1 1 3 3 9 2 1 5 3 2 2 2 3 4 18 5 7 1 1 1 15 4 1 2 2 6 4 3 2 2 2 3 8 4 1 2 3 3 4 3 2 2 1 4 10 27 22 9 7 12 8 7 16 11 4 2 14 4 1 7 7 2 6 22 9 3 100 2 19 23 4 2 5 7 1 4 1 0 9 24 9 39 8 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 2 1 2 3 4 5 2 2 3 4 10 13 12 9 28 34 7 2 1 2 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 8 8 15 13 8 8 3 1 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 98 98 s 1H | 76 76 dd 1H J 14 82 | 76 75 dd 1H J 15 75 | 74 73 td 1H J 15 81 | 73 72 td 1H J 15 77 | 42 42 s 2H | 39 39 s 3H | 23 22 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1C(=O)N(CC)c2ccc(F)cc2N1S(=O)(=O)c1ccc(O)cc1
ir: 4 3 1 3 5 3 1 3 13 2 1 3 4 5 6 3 5 1 1 2 2 1 1 2 8 3 11 3 2 1 1 2 3 4 3 3 3 0 1 5 4 1 1 2 2 1 2 4 2 1 3 5 3 6 8 11 3 3 2 3 1 2 6 3 2 2 2 3 5 6 6 11 4 2 3 4 1 2 6 12 2 1 12 13 21 13 6 5 7 13 15 8 2 3 2 2 2 4 3 2 1 2 4 2 1 2 4 2 1 1 3 2 0 1 3 2 2 3 3 4 13 4 3 3 7 17 8 2 1 3 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 5 4 3 5 10 7 4 6 10 3 1 2 1 1 3 6 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 2 2 2 2 0 1 3 2 0 1 3 2 1 2 7 5 4 15 14 18 6 2 3 2 0 19 100 12 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 3 3 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 83 83 s 1H | 76 76 m 2H | 73 73 dd 1H J 46 88 | 70 69 m 1H | 69 69 s 1H | 69 69 s 1H | 69 68 dd 1H J 22 121 | 50 50 tq 1H J 15 82 | 41 40 m 2H | 22 21 m 1H | 20 19 dp 1H J 77 112 | 13 12 t 3H J 75 | 10 10 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2nc(-c3ccccc3Cl)n(CC(OC)OC)c12
ir: 10 12 1 11 7 19 7 13 16 14 19 8 11 4 5 3 4 2 3 8 5 4 7 9 56 10 6 2 2 2 2 7 2 2 24 9 5 10 44 5 2 8 30 36 54 1 6 27 20 6 4 2 2 2 2 1 2 3 3 3 5 12 4 5 6 23 12 5 11 5 6 4 5 3 4 6 6 7 19 16 8 4 7 3 2 3 4 18 9 3 2 0 2 1 0 1 5 5 15 5 2 2 0 1 5 11 4 6 2 3 1 2 5 4 13 8 2 3 7 15 53 26 1 4 8 7 32 11 16 12 27 26 7 2 2 6 28 15 54 28 4 4 7 6 31 21 14 26 42 8 10 13 3 1 1 1 1 1 1 6 6 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 1 0 1 1 1 2 1 1 2 1 2 3 3 3 3 3 2 6 10 21 23 33 100 64 20 4 5 4 0 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 1H J 15 76 | 78 78 m 2H | 75 75 m 2H | 75 74 dtd 2H J 15 73 218 | 49 49 dtq 1H J 15 31 46 | 43 43 d 2H J 46 | 39 39 s 2H | 34 33 d 6H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2oncc2CCC(=O)O)cc1
ir: 3 4 3 2 4 6 15 7 7 9 6 11 17 7 7 5 15 7 1 14 22 97 42 44 13 14 8 3 6 2 2 3 3 2 4 2 7 3 3 3 2 1 2 3 2 1 1 3 3 6 6 2 7 33 10 8 3 2 3 2 3 2 3 4 2 4 2 3 2 11 5 7 2 1 4 4 5 2 16 18 9 4 5 4 3 1 3 5 3 3 7 11 6 4 3 4 2 2 3 6 2 3 4 2 2 3 13 4 2 5 11 2 3 9 21 8 0 9 9 7 7 11 25 9 2 15 9 17 11 11 8 5 6 3 3 3 2 3 3 4 9 17 17 100 30 23 13 5 4 3 14 3 4 8 5 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 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 2 1 2 5 3 2 2 4 5 4 4 5 2 1 3 7 7 7 20 45 23 10 3 2 2 2 4 3 50 13 5 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 83 83 t 1H J 9 | 77 76 m 2H | 73 72 m 2H | 31 30 td 2H J 9 92 | 27 26 t 2H J 91 | 24 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1cccc(Oc2ccccc2)c1
ir: 2 1 2 4 2 5 3 4 3 3 2 4 4 4 3 6 6 5 10 11 8 15 24 28 52 25 20 8 6 6 6 6 7 7 6 7 21 21 6 8 49 76 24 25 58 11 15 22 41 10 5 4 4 8 4 2 3 4 3 6 2 4 2 4 7 10 49 51 20 16 4 2 2 1 1 2 2 6 6 4 7 3 4 3 6 1 1 3 4 6 3 3 2 3 5 3 3 2 1 2 2 3 1 1 8 18 27 10 0 2 2 2 15 7 3 1 1 2 2 1 2 2 4 1 5 9 6 4 3 2 5 3 6 7 17 23 16 27 46 52 95 16 11 19 13 6 9 15 24 5 6 7 13 6 11 13 9 3 1 5 2 1 15 16 7 1 1 1 1 0 0 1 1 0 1 1 1 1 2 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 1 2 3 3 5 8 16 16 67 65 20 16 3 3 1 1 3 6 3 5 2 4 21 21 6 5 9 7 7 7 9 83 100 54 49 10 3 3 5 4 4 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 0 0 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 1; 1HNMR: 74 73 m 2H | 73 72 t 1H J 78 | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 68 t 1H J 38 | 68 68 ddd 1H J 12 22 79 | 65 65 t 1H J 21 | 65 65 ddd 1H J 12 21 77 | 63 63 d 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)C1CCC(c2ccnc3ccnn23)CC1
ir: 1 9 6 6 22 8 2 2 14 14 9 33 21 9 15 16 11 6 3 5 3 7 5 5 2 1 2 2 2 1 2 2 2 3 1 2 1 4 4 4 9 5 7 7 2 5 4 7 6 12 29 2 14 32 34 30 84 22 37 70 28 16 9 36 28 2 36 20 17 14 7 8 22 13 16 14 6 13 7 17 29 20 27 26 36 16 15 10 2 5 2 3 2 3 6 6 10 28 30 6 3 4 6 4 6 33 10 13 28 9 7 11 34 43 14 8 12 11 5 8 8 7 7 17 27 25 13 21 29 34 25 18 38 72 46 47 20 23 8 10 24 5 7 2 2 2 3 1 4 6 3 1 3 3 2 9 5 13 62 28 29 4 3 1 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 1 1 1 1 1 0 1 0 1 1 1 1 0 1 0 1 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 2 1 1 3 5 3 2 5 6 3 4 9 10 7 4 8 8 14 19 15 4 18 46 29 8 5 1 4 6 6 4 17 27 23 39 32 34 33 18 8 10 30 47 100 54 18 5 5 3 2 2 1 1 2 3 2 0 2 2 1 1 1 2 1 1 0 1 1 1 1 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 75 | 80 80 d 1H J 33 | 71 71 dd 1H J 18 73 | 68 67 d 1H J 33 | 29 28 pd 1H J 17 62 | 28 27 hept 1H J 55 | 21 20 m 2H | 17 16 m 6H | 15 14 m 3H | 11 10 dd 3H J 11 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(I)c(NC2CCCC2)n1
ir: 1 1 2 1 2 2 2 3 1 2 3 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 4 5 5 5 4 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 4 3 9 7 2 2 3 9 25 11 2 2 53 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 2 2 10 1 2 3 0 1 100 3 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 s 1H | 66 66 d 1H J 66 | 61 61 s 2H | 43 43 dp 1H J 40 64 | 21 20 m 2H | 18 17 m 1H | 18 17 ddt 1H J 19 39 51 | 17 17 m 1H | 17 16 m 2H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1[N+](=O)[O-]
ir: 0 6 3 7 5 4 2 4 5 4 5 5 9 4 3 6 16 20 7 18 6 3 2 4 4 2 2 4 4 2 2 4 8 12 3 4 4 5 5 6 4 3 5 15 27 43 42 11 7 1 4 5 4 2 4 6 4 2 3 6 4 8 9 8 5 2 10 9 21 8 19 11 7 4 13 9 5 8 5 5 8 5 8 5 4 6 13 5 2 3 4 12 5 17 7 6 3 5 13 19 3 7 6 5 4 7 9 12 3 9 5 4 3 4 5 5 5 7 38 31 12 5 9 6 4 8 6 13 2 5 4 4 2 5 7 4 6 9 10 50 36 41 6 5 2 6 5 5 3 5 5 4 3 6 4 31 100 20 5 4 4 5 4 3 3 5 3 2 3 5 4 2 4 5 3 2 3 4 3 2 4 5 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 3 4 3 2 4 4 2 2 4 4 2 3 4 4 3 3 4 4 2 3 6 7 12 9 12 7 6 6 7 7 8 7 7 10 14 25 47 45 29 36 14 71 34 15 12 5 4 5 7 4 2 5 5 3 2 4 4 3 3 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 72 72 dd 1H J 69 76 | 71 71 d 2H J 71 | 25 25 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N/O)c1ncc(F)cc1F
ir: 15 14 9 17 19 13 19 35 69 23 28 12 22 8 8 14 7 6 15 11 6 8 8 14 6 5 5 6 5 4 4 9 14 9 7 5 6 7 9 32 12 6 6 5 5 5 5 5 5 6 5 5 5 5 5 5 5 7 8 6 6 8 6 7 6 12 11 22 10 6 5 5 5 6 7 11 8 10 8 85 27 22 10 8 6 5 5 6 5 6 6 7 6 6 47 8 15 9 11 50 24 17 5 10 7 7 6 6 8 5 5 5 5 5 5 6 7 6 6 7 7 10 11 7 24 8 9 5 5 6 6 6 8 12 13 6 6 5 4 5 5 4 5 7 6 4 5 6 5 4 5 6 7 7 11 5 5 4 10 6 5 5 5 4 4 5 4 4 4 5 4 4 5 4 4 5 5 5 5 5 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 5 5 4 4 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 6 5 5 5 5 4 5 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 6 5 4 4 5 5 4 5 5 5 4 6 11 6 6 14 26 10 6 8 8 5 0 10 46 100 24 5 3 6 8 4 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 5 5 5 4 5 5 4 4 5 5 4 4 5 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 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 96 96 s 1H | 83 83 dd 1H J 18 140 | 74 73 td 1H J 17 121 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)O)cnn1-c1cc(OC(F)F)n(C)n1
ir: 4 3 6 4 3 5 5 4 18 11 7 7 5 6 13 22 4 6 4 7 9 24 35 88 12 6 3 14 100 17 11 6 7 9 8 3 2 3 3 4 4 16 3 1 2 3 3 1 2 3 2 1 2 3 3 3 3 4 3 11 32 4 4 5 3 6 4 5 6 9 6 12 32 21 46 79 13 9 50 5 7 13 18 2 3 2 3 3 14 4 3 2 2 2 2 2 6 3 2 2 3 3 2 15 5 3 2 3 4 2 3 2 3 4 3 6 3 7 14 24 11 12 19 13 4 5 12 7 4 6 2 4 19 4 4 5 8 33 6 2 2 2 2 4 2 2 2 6 2 3 4 4 3 28 27 5 12 23 4 68 3 0 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 3 3 2 2 3 3 3 4 4 5 4 6 11 4 7 7 22 10 3 3 2 3 2 8 22 2 1 2 3 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 s 1H | 67 67 s 1H | 56 56 s 1H | 37 36 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1OC1=CC(=O)N(C(COC(C)(C)C)C(=O)O)C1
ir: 1 1 1 2 2 4 3 5 4 5 3 5 20 15 11 25 18 21 35 55 60 94 10 11 14 4 5 2 2 2 2 2 1 1 4 11 29 5 2 7 4 4 12 43 7 0 1 3 2 0 3 2 2 5 4 0 2 1 2 2 3 2 3 9 2 3 2 1 2 5 7 5 2 1 8 9 8 23 20 17 23 16 17 13 15 8 8 4 3 5 1 2 3 1 5 2 2 2 1 1 3 4 8 3 2 1 1 1 1 4 2 3 5 4 2 4 5 10 10 5 7 3 2 3 12 3 4 2 12 23 17 6 6 2 1 2 3 17 5 1 4 8 12 27 28 4 5 6 14 3 1 1 0 0 2 1 0 0 3 1 100 14 2 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 0 0 1 0 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 6 5 9 24 44 9 64 15 7 2 2 1 0 1 1 9 54 9 1 1 0 1 1 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 0 0 0 0 0 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: 70 70 ddd 1H J 14 72 85 | 70 69 m 2H | 69 68 ddd 1H J 13 72 82 | 51 51 t 1H J 9 | 46 45 t 1H J 58 | 43 42 dd 1H J 9 134 | 42 41 dd 1H J 9 134 | 40 39 dd 1H J 57 110 | 38 38 s 3H | 38 37 dd 1H J 57 110 | 12 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1ccc(Oc2c(C)cccc2C=O)c(Br)c1
ir: 6 3 14 15 14 4 4 6 0 5 3 3 4 5 8 2 2 7 9 3 1 1 0 1 1 3 1 2 2 1 1 2 3 4 8 17 21 15 4 5 4 3 6 4 4 16 21 10 1 2 1 1 3 16 38 12 2 2 2 4 5 8 5 5 27 26 3 3 3 2 3 1 1 1 1 1 1 1 1 3 7 22 21 15 22 41 4 1 3 3 3 1 2 2 3 4 7 1 2 3 9 3 20 8 2 2 12 16 17 9 7 7 1 2 2 5 4 4 4 7 6 5 24 32 4 2 1 1 1 2 0 1 2 1 5 9 2 2 1 7 18 10 2 1 4 0 3 5 7 5 8 2 1 4 9 2 1 2 1 6 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 1 1 1 1 8 2 2 2 2 2 2 4 11 9 9 32 100 39 7 5 6 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 21 | 78 78 m 2H | 73 73 dt 1H J 9 75 | 72 71 t 1H J 76 | 71 71 d 1H J 93 | 34 33 q 2H J 92 | 22 22 d 3H J 7 | 13 12 t 3H J 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(N)C(O)c1ccc(C(=O)OC)cc1
ir: 2 3 5 5 1 4 10 6 4 4 2 1 2 2 1 7 1 1 6 27 4 3 2 1 1 2 1 3 2 3 1 0 1 1 1 0 0 1 2 1 1 1 1 3 2 1 1 2 2 1 1 4 2 6 14 23 34 39 31 3 7 5 6 2 1 2 2 5 19 29 10 2 5 8 4 4 4 5 9 4 5 5 5 3 9 10 19 55 9 17 8 10 2 1 1 1 2 1 1 3 1 1 1 1 1 1 0 1 1 3 1 2 3 1 2 26 2 7 9 13 10 18 7 4 5 7 5 10 12 2 4 7 17 21 24 20 10 3 3 2 1 2 5 33 15 7 1 2 2 18 7 7 3 2 2 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 4 1 1 2 2 1 2 5 4 2 11 33 18 3 2 1 2 5 3 100 5 4 3 5 10 10 22 12 10 3 2 3 4 7 11 3 1 1 1 2 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 74 73 m 2H | 46 45 m 1H | 39 39 s 2H | 35 35 d 1H J 46 | 32 31 dtt 1H J 16 49 81 | 26 26 d 2H J 68 | 17 16 dqd 1H J 48 65 131 | 15 14 dqd 1H J 48 66 132 | 10 9 td 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(-n2ccnc2)c(OC)c1
ir: 5 5 5 5 6 9 11 7 6 10 10 6 4 5 5 5 6 7 6 5 5 5 4 4 5 4 5 6 16 17 20 7 5 12 14 7 5 6 6 6 16 22 6 5 5 5 5 5 8 27 5 4 5 8 9 36 36 0 5 7 7 10 5 6 7 7 9 15 29 6 5 6 6 6 13 19 27 12 12 12 12 8 5 5 4 5 5 5 5 11 14 11 7 15 17 11 15 17 9 11 8 7 20 22 9 5 5 4 5 4 4 5 5 5 5 5 12 26 15 7 8 7 10 5 7 9 6 6 9 7 5 4 4 5 4 4 4 4 5 4 4 5 6 16 4 4 4 4 5 10 14 5 6 6 9 7 5 5 5 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 7 15 5 4 4 5 5 4 4 4 5 4 4 4 4 4 4 5 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 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 5 4 4 5 5 5 5 5 5 4 4 4 4 5 5 5 5 10 8 9 11 12 35 34 47 100 23 6 5 5 6 5 4 5 5 5 4 4 5 89 33 3 5 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 83 83 t 1H J 17 | 79 79 dd 1H J 17 38 | 77 76 dd 1H J 16 38 | 76 75 d 1H J 68 | 75 74 dd 1H J 21 67 | 71 71 d 1H J 22 | 39 39 s 3H | 31 31 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2ccccc2)c1NC(=O)c1cc(Nc2cccc(O)c2)nc2ccc(Br)cc12
ir: 1 1 2 2 1 1 3 2 2 3 5 2 4 4 3 5 1 1 3 2 3 3 3 4 3 3 1 2 2 2 3 3 3 6 8 9 2 3 3 2 2 2 7 6 7 2 6 11 10 2 11 35 20 23 3 0 2 2 2 0 1 1 4 1 1 3 10 14 13 9 3 13 1 4 2 1 2 4 4 6 7 3 4 8 16 5 4 2 2 1 1 1 2 5 3 1 1 1 3 2 2 4 7 3 5 4 1 3 3 2 18 9 3 2 3 3 4 6 6 2 11 9 5 7 2 3 6 3 1 3 6 1 1 1 2 14 1 3 1 4 7 11 8 9 16 10 9 5 4 3 13 6 9 3 2 3 14 2 2 2 1 2 5 15 11 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 2 1 1 8 2 1 1 1 2 1 2 2 3 2 3 3 6 12 10 51 100 30 19 11 10 5 2 7 21 10 2 1 1 1 1 1 1 1 1 1 2 4 3 5 21 30 7 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 0 0 1 1 1 1; 1HNMR: 94 94 s 1H | 90 90 s 1H | 85 85 d 1H J 27 | 79 78 d 1H J 82 | 77 76 m 3H | 75 75 s 1H | 75 74 m 2H | 74 74 m 1H | 72 71 m 1H | 70 70 ddd 1H J 12 21 77 | 66 66 s 1H | 66 66 t 1H J 21 | 64 64 ddd 1H J 12 22 82 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCCn1cnc2cnc3ccccc3c21
ir: 6 6 7 3 1 3 8 12 13 3 4 3 2 2 2 7 3 2 2 3 3 2 3 3 4 10 13 46 8 4 3 4 4 1 2 3 4 5 2 5 6 4 7 100 11 11 5 1 2 7 4 1 6 7 2 0 2 4 2 0 2 7 6 3 2 3 1 1 3 8 2 1 2 4 4 7 3 2 1 1 2 2 1 1 6 9 3 1 2 4 11 3 2 2 2 2 5 5 9 20 11 5 1 2 3 4 1 2 3 4 13 3 5 4 7 4 4 3 5 11 10 4 16 13 10 5 2 8 6 5 3 3 3 2 3 2 3 9 5 10 4 4 4 6 18 33 16 3 9 80 12 23 7 4 2 4 20 1 2 5 5 1 1 2 1 1 8 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 3 3 2 2 2 3 3 3 2 2 1 2 3 3 9 14 8 8 41 21 10 4 4 3 2 2 1 2 3 2 2 2 2 1 1 1 2 1 1 2 3 6 17 19 7 3 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 89 s 1H | 83 83 dd 1H J 15 77 | 81 81 dd 1H J 15 81 | 80 79 t 1H J 9 | 77 77 ddd 1H J 13 69 81 | 77 76 ddd 1H J 13 69 82 | 48 48 t 1H J 49 | 42 42 td 2H J 8 63 | 31 30 q 2H J 49 | 19 18 tt 2H J 61 68 | 17 16 tt 2H J 49 73 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1cc(Cl)cc(C(=O)O)n1
ir: 3 1 0 1 1 1 1 1 2 1 1 1 1 1 2 3 4 4 7 2 26 8 4 2 1 1 4 1 1 0 1 1 1 0 1 4 2 7 2 2 2 1 6 4 2 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 4 3 1 13 47 4 6 3 1 2 2 1 1 2 5 8 15 1 1 1 2 2 2 2 19 1 1 1 1 1 2 2 2 4 1 1 1 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 3 8 2 1 5 3 0 1 1 2 2 1 1 1 0 2 3 29 4 2 2 1 1 1 1 2 6 2 2 2 7 8 5 1 1 2 2 3 2 2 22 5 2 15 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 3 7 25 8 10 4 2 1 1 1 2 100 3 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 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 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; 1HNMR: 79 78 d 1H J 20 | 78 78 dd 1H J 13 86 | 75 74 d 1H J 22 | 74 74 td 1H J 13 76 | 72 71 ddd 1H J 12 74 87 | 69 69 dd 1H J 12 77 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCc2c(Cl)ccc(CO)c2CC1
ir: 3 2 2 2 1 1 1 3 2 5 4 3 1 1 1 1 1 1 1 5 3 1 1 2 1 2 2 1 0 1 1 2 3 2 1 1 1 4 1 0 1 2 2 1 1 1 1 1 1 2 2 1 2 7 10 1 2 6 2 1 1 2 2 3 2 1 3 4 1 2 1 2 4 4 5 3 1 1 3 17 7 8 2 10 23 9 50 49 10 11 9 4 15 3 3 8 5 8 9 2 2 9 3 2 3 1 0 1 1 1 0 1 2 1 1 2 3 2 4 3 2 3 2 4 3 2 1 3 5 2 5 2 1 1 1 2 3 3 3 2 1 1 3 7 3 1 0 1 1 0 0 1 2 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 4 2 2 7 1 4 5 5 7 5 8 11 12 6 4 4 2 2 3 2 100 19 8 2 1 1 1 1 0 1 1 1 1 1 1 2 3 5 3 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 d 1H J 82 | 71 70 dt 1H J 8 84 | 47 47 dd 2H J 8 59 | 41 41 t 1H J 59 | 29 28 m 9H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.