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CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(CC#N)cc2)s1
ir: 0 3 4 3 3 4 5 4 5 2 3 2 2 2 1 1 2 5 3 1 1 0 1 1 1 0 0 1 1 1 1 1 1 2 2 2 2 2 3 3 4 2 5 7 2 2 7 4 2 3 4 1 8 6 8 9 5 4 2 3 3 4 7 5 3 2 4 4 4 8 1 1 1 2 1 5 4 3 2 2 1 2 2 6 12 22 18 6 3 3 20 2 6 5 3 2 2 5 2 2 2 1 5 4 2 4 3 1 0 1 1 1 3 7 18 30 17 22 10 6 3 3 2 2 2 1 2 1 2 4 2 2 3 1 2 1 1 1 1 0 0 0 1 1 1 1 1 1 4 4 2 1 1 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 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 1 0 0 0 0 0 0 0 0 0 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 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 8 7 6 15 5 1 2 2 1 1 2 1 1 1 1 0 1 1 1 0 1 2 2 8 18 100 39 9 2 3 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 78 77 m 2H | 76 76 d 1H J 73 | 75 75 d 1H J 75 | 74 73 dq 2H J 9 72 | 60 59 s 1H | 38 38 d 2H J 9 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)c(Br)cc2[nH]c(=O)c(=O)[nH]c12
ir: 3 2 3 4 5 10 19 14 13 3 2 2 1 3 4 7 5 3 5 15 5 5 4 3 3 18 9 7 22 17 2 2 2 7 13 47 23 13 3 3 2 2 2 4 5 3 2 5 4 1 1 1 1 1 1 2 1 1 1 1 2 3 5 1 6 4 4 1 1 0 1 1 3 5 1 1 1 1 9 17 4 5 5 3 3 5 5 2 1 1 1 1 1 1 1 1 1 1 1 2 5 5 5 1 0 1 1 12 6 1 9 16 1 1 1 1 0 1 1 1 0 8 5 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 0 1 7 3 2 16 1 0 1 4 6 6 54 100 1 29 28 23 17 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 6 3 1 1 2 2 1 1 1 4 52 90 31 48 9 1 1 1 1 3 30 3 2 0 1 2 0 0 2 1 0 5 22 3 2 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 1 1 0 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 77 77 s 1H | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H]1C[C@@H]1c1ccc(O[C@@H]2CCc3c(Oc4ccc(O)c(F)c4)ccc(F)c32)cc1
ir: 2 4 4 8 2 2 3 2 2 1 1 1 1 2 2 2 2 2 3 3 2 2 1 1 2 2 3 4 3 2 2 2 0 2 3 3 2 3 4 8 7 3 6 0 2 2 2 2 2 2 1 0 4 19 79 14 21 18 7 4 7 5 4 4 3 2 3 9 14 20 2 3 5 4 4 8 2 6 6 28 20 11 8 5 5 3 2 4 7 10 11 15 6 16 7 3 11 2 1 2 18 15 3 5 5 21 13 10 5 2 2 2 1 3 2 3 3 2 1 2 2 1 1 2 5 5 6 2 1 1 0 1 1 1 2 2 3 2 1 4 2 3 12 65 7 12 10 13 19 27 9 8 18 17 5 3 1 1 2 7 2 4 1 1 2 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 2 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 1 1 3 2 0 2 5 8 4 15 21 50 73 40 11 8 11 4 1 6 100 9 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 71 71 m 1H | 71 70 m 2H | 69 68 m 3H | 68 67 dd 1H J 21 101 | 67 67 m 2H | 59 59 d 1H J 35 | 58 57 tdd 1H J 18 29 48 | 41 40 m 2H | 32 31 dddd 1H J 17 58 75 158 | 30 30 ddd 1H J 58 76 157 | 28 27 m 1H | 25 24 dddd 1H J 29 57 77 132 | 24 22 m 2H | 17 16 dt 1H J 72 80 | 14 13 td 1H J 63 81 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CC(=O)C[C@@H]1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12
ir: 2 5 3 3 5 3 3 9 5 6 10 13 25 13 9 4 4 10 5 2 2 5 33 17 6 11 6 2 2 3 3 3 11 6 3 1 2 4 2 1 2 3 2 1 4 4 3 3 2 3 5 40 26 100 14 3 3 5 3 5 3 4 14 20 4 7 6 1 3 7 2 4 14 4 1 0 3 4 2 0 5 12 1 9 51 2 5 3 7 5 2 2 4 10 33 3 3 4 8 4 8 8 7 3 13 7 1 2 5 4 1 4 4 5 1 8 5 3 1 6 9 3 4 3 18 16 5 2 2 1 1 2 3 16 1 2 2 8 3 10 10 10 5 3 16 14 8 26 7 7 3 3 8 17 2 2 5 3 2 3 4 4 1 3 2 0 1 3 2 0 1 2 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 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 3 1 2 3 2 5 7 5 2 2 2 3 3 9 13 17 23 10 8 23 11 10 7 6 3 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 1H | 82 81 d 1H J 44 | 78 77 m 2H | 74 73 d 1H J 42 | 72 72 m 2H | 33 32 dddd 1H J 18 42 61 69 | 29 29 ddd 1H J 19 43 163 | 27 26 m 2H | 26 25 m 1H | 24 24 d 3H J 8 | 23 22 m 1H | 16 15 dqd 1H J 58 72 130 | 14 13 tt 1H J 72 132 | 9 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=Cc1ccc(F)cc1)c1ccccc1
ir: 5 4 8 4 6 8 6 15 2 2 4 11 9 3 5 2 1 2 3 1 1 1 2 2 1 2 10 2 2 2 3 24 11 41 51 6 5 2 12 33 10 3 14 12 2 2 1 1 2 2 1 2 6 2 11 74 3 4 2 1 2 3 2 2 2 4 8 24 14 12 5 5 4 4 6 7 4 8 4 4 2 2 2 1 1 17 8 2 7 2 2 7 5 2 1 1 21 7 3 1 2 4 2 2 12 1 1 1 1 2 1 3 6 4 5 2 3 21 12 17 12 5 3 6 10 5 15 22 3 9 2 3 3 2 7 29 0 2 2 2 1 3 6 8 10 31 8 25 54 50 4 20 8 3 2 2 3 6 3 1 11 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 5 3 12 16 39 68 100 61 49 9 10 7 4 2 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 s 1H | 75 74 m 2H | 74 73 m 3H | 73 72 m 2H | 71 71 m 2H | 43 42 q 2H J 71 | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1
ir: 8 3 3 5 8 6 9 5 3 3 15 11 9 4 5 4 4 3 5 3 4 5 9 3 3 2 2 3 6 9 18 5 6 2 2 2 2 2 4 2 3 2 3 3 3 2 2 2 2 2 3 3 2 2 2 2 2 2 3 2 3 5 3 3 2 2 6 5 2 3 6 3 3 4 7 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 3 3 2 3 2 2 3 4 3 4 4 5 4 2 4 4 5 3 4 3 3 5 10 9 10 20 13 10 7 6 10 9 12 17 4 10 5 4 3 4 4 4 6 6 4 3 3 2 2 4 3 6 3 7 5 100 5 0 1 3 3 1 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 4 4 4 3 2 4 3 3 6 1 16 6 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 47 47 dd 1H J 21 48 | 41 40 m 2H | 40 39 ddd 1H J 41 62 105 | 38 38 dd 1H J 48 121 | 37 36 m 3H | 35 35 s 3H | 30 30 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CS2
ir: 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 7 8 9 8 4 4 4 4 2 2 1 2 2 2 1 1 2 2 6 10 7 17 74 7 5 4 4 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 4 2 3 4 6 7 8 7 2 3 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 6 2 1 3 5 17 3 3 2 1 1 1 1 1 1 3 2 3 2 2 2 6 2 4 4 2 3 4 4 2 2 3 2 1 3 3 3 1 1 4 3 1 1 2 4 0 6 100 13 18 4 0 1 2 1 1 3 2 2 1 1 3 4 10 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 7 8 2 3 5 10 3 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 3 5 9 18 18 29 23 10 9 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H | 75 74 m 2H | 61 60 q 1H J 47 | 30 30 s 2H | 27 27 d 4H J 46 | 14 14 s 6H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1
ir: 5 8 8 8 9 11 5 8 6 5 9 2 3 7 3 5 3 1 4 1 3 2 1 1 2 2 1 2 3 2 3 6 4 5 7 6 5 17 9 6 8 16 5 3 3 6 9 22 31 12 5 2 2 2 2 1 2 1 3 1 1 1 1 5 7 8 14 13 13 7 5 2 3 7 4 1 2 3 5 4 2 3 2 2 3 14 11 26 41 25 17 10 8 4 2 3 4 15 14 13 4 5 15 2 3 1 1 1 2 2 5 2 2 1 0 1 1 1 1 2 3 3 6 2 8 12 6 6 11 19 2 5 3 2 3 4 1 1 1 2 8 11 5 3 2 2 8 17 4 2 3 2 3 3 3 23 24 2 4 3 1 5 11 7 2 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 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 0 1 2 2 0 1 2 2 2 3 6 11 13 23 100 62 11 6 2 2 3 3 4 3 2 1 0 1 1 0 0 0 1 0 0 0 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 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; 1HNMR: 78 78 td 1H J 10 21 | 77 77 ddd 1H J 13 22 82 | 75 74 t 1H J 83 | 74 73 m 3H | 72 71 dd 1H J 74 80 | 71 71 tt 1H J 14 75 | 70 70 m 2H | 66 65 ddd 1H J 11 21 73 | 65 64 ddd 1H J 12 22 80 | 63 63 t 1H J 22 | 48 47 dq 1H J 36 81 | 45 44 m 3H | 38 38 ddq 1H J 25 74 122 | 36 35 ddt 1H J 24 72 120 | 36 35 s 3H | 31 31 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(=O)Nc2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F
ir: 2 7 23 15 14 12 1 11 10 3 4 3 5 4 3 6 4 5 2 5 5 1 2 3 2 2 2 8 5 7 3 4 3 5 9 24 4 8 6 9 4 19 12 1 4 8 3 3 2 2 2 3 2 3 8 9 3 1 2 2 1 1 1 1 1 1 3 8 5 7 2 4 2 1 7 1 1 3 3 3 7 2 1 1 1 1 1 1 1 1 2 2 7 5 4 3 1 5 20 21 16 5 7 4 3 5 8 8 3 1 1 1 0 1 2 1 0 1 1 1 0 2 2 3 3 3 5 2 1 2 1 1 2 5 1 1 2 19 16 3 3 7 44 7 6 20 10 21 5 3 9 10 12 3 27 7 9 24 12 4 2 3 2 1 4 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 2 2 4 4 11 45 16 15 9 5 2 1 2 2 1 0 1 2 1 1 1 1 2 8 17 5 3 3 4 39 13 5 3 5 1 27 100 3 5 2 1 1 1 1 0 0 0 1 0 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 90 89 d 1H J 18 | 80 79 m 2H | 79 78 d 1H J 84 | 78 78 dd 1H J 18 84 | 77 76 dd 1H J 22 75 | 75 74 m 2H | 74 74 m 2H | 71 71 d 1H J 75 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ONCCc1ccc(Sc2cccc(C(F)(F)F)c2)s1
ir: 5 51 15 33 11 10 4 7 8 4 3 6 4 3 2 3 3 3 1 3 3 1 1 2 2 1 1 2 2 3 5 11 20 0 1 5 3 1 2 3 3 2 3 4 3 7 3 40 13 1 9 25 23 17 20 20 13 16 12 13 5 1 3 9 7 5 10 33 39 12 5 11 8 1 4 2 2 1 4 4 2 1 3 2 2 3 19 13 6 3 12 6 11 30 33 20 15 32 32 33 7 7 6 3 2 2 3 2 1 2 16 5 41 36 15 6 21 21 9 6 4 4 4 7 18 5 51 4 1 2 3 1 1 2 2 1 1 2 3 7 18 3 2 1 1 3 3 8 2 3 2 2 6 6 11 2 2 4 3 2 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 3 2 3 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 3 3 2 2 5 7 7 6 21 45 33 23 9 20 11 25 54 100 84 33 11 12 11 2 4 3 3 1 7 11 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 3 3 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 83 82 d 1H J 31 | 77 77 t 1H J 22 | 76 76 dd 1H J 64 104 | 76 75 ddd 1H J 12 22 103 | 75 74 ddd 1H J 13 22 64 | 70 70 d 1H J 62 | 67 67 dt 1H J 8 60 | 47 46 td 1H J 32 40 | 32 31 td 2H J 39 54 | 30 29 td 2H J 9 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1
ir: 1 3 7 5 7 4 4 4 19 2 2 3 5 5 1 2 1 3 5 3 3 5 4 1 1 2 2 1 1 1 3 2 3 4 5 6 13 32 6 7 53 17 21 57 93 15 12 7 5 2 6 76 10 46 67 21 76 14 27 4 2 2 1 4 3 1 18 51 14 3 1 2 3 5 5 2 2 6 33 4 3 3 1 4 5 4 46 39 5 3 7 2 2 2 1 2 25 30 11 20 6 2 0 2 2 5 10 4 41 8 7 4 4 3 3 5 4 6 17 38 16 10 42 6 6 1 0 2 2 1 0 2 3 1 3 10 30 11 15 8 48 12 4 6 5 5 5 5 54 19 13 56 90 7 8 16 31 15 5 18 26 28 7 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 3 1 1 1 2 1 2 2 4 6 25 26 8 30 35 77 100 54 30 52 15 9 9 2 1 3 3 1 1 4 2 2 1 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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; 1HNMR: 82 81 s 1H | 79 78 d 1H J 80 | 78 77 m 2H | 32 31 p 1H J 65 | 27 27 s 3H | 12 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)c1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccccc2)c(Br)c1
ir: 8 9 10 5 3 7 7 6 7 19 18 16 15 5 5 3 1 2 3 1 1 4 4 1 1 3 4 2 2 12 17 8 7 10 12 37 25 26 27 49 25 16 4 1 3 5 3 3 4 6 7 4 5 5 4 3 8 12 6 7 16 10 7 2 3 5 8 20 21 17 7 2 3 3 2 3 9 15 11 6 6 6 4 3 2 3 1 10 5 11 16 23 23 22 6 5 7 7 4 5 10 7 1 2 4 3 23 5 5 3 2 2 3 2 1 2 3 5 9 11 22 16 21 17 34 16 5 9 13 7 8 13 15 10 6 31 14 6 4 5 7 5 9 26 54 31 45 11 5 14 8 28 9 4 3 3 2 0 1 3 2 1 2 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 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 0 1 2 2 1 1 3 4 3 3 4 3 4 4 4 4 2 5 5 5 11 29 14 27 100 44 20 7 5 4 5 3 3 3 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 79 d 1H J 21 | 77 76 dd 1H J 20 86 | 74 73 dt 1H J 9 88 | 73 72 m 2H | 73 73 s 4H | 38 38 d 2H J 7 | 38 37 s 2H | 35 35 s 2H | 30 30 s 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CCC(C)C(OC(C)=O)C1OC(C)=O
ir: 12 14 19 9 10 12 38 31 19 10 12 14 12 8 16 18 9 7 6 10 17 14 20 11 11 31 100 36 10 7 5 9 4 5 3 4 3 2 2 5 5 3 4 3 2 2 2 6 3 11 5 5 2 1 3 4 5 4 9 11 10 5 4 6 9 10 9 7 6 25 48 14 8 13 13 3 14 8 10 8 4 4 4 6 2 3 4 2 2 4 3 5 6 5 5 6 9 17 31 21 39 46 21 17 6 9 8 9 15 13 28 20 14 32 31 32 19 23 28 18 25 28 60 53 34 43 23 22 20 11 12 11 14 5 11 12 20 10 7 3 4 5 12 5 76 78 3 10 7 0 65 42 1 4 4 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 4 4 5 9 8 11 4 6 4 11 7 7 6 11 11 25 18 37 41 23 15 9 8 7 3 5 6 4 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; 1HNMR: 62 61 d 1H J 49 | 51 51 ddq 1H J 16 46 66 | 38 37 m 1H | 37 37 s 3H | 35 34 m 1H | 21 21 s 3H | 21 20 m 2H | 21 20 s 3H | 18 17 m 1H | 10 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(C)CCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2cc1OC
ir: 15 13 8 19 2 3 6 13 6 4 16 12 3 16 15 3 7 5 5 8 6 4 41 2 4 6 9 14 12 5 4 3 5 16 12 9 3 1 3 2 6 7 3 3 3 2 4 9 7 23 89 13 8 6 26 5 5 4 3 4 5 4 9 6 11 8 45 26 24 20 13 4 4 4 9 7 6 2 2 10 3 8 3 12 8 2 3 2 4 2 1 7 15 5 6 6 10 33 28 89 15 6 7 12 2 3 2 6 5 9 1 2 3 9 1 2 4 3 1 2 5 11 11 9 8 5 4 10 6 22 3 1 1 1 1 1 1 0 1 1 7 19 60 23 58 4 2 1 1 1 1 20 2 2 2 38 49 20 13 1 1 1 2 2 2 4 14 12 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 3 1 2 2 2 3 2 2 5 4 6 9 13 100 43 39 14 2 3 2 2 1 1 2 2 1 1 1 0 0 1 1 1 1 2 2 3 10 10 12 21 33 4 2 0 0 1 1 0 0 1 1 1 0 1 1 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 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 s 1H | 76 76 s 1H | 76 76 s 1H | 74 73 m 2H | 73 72 s 1H | 72 71 d 1H J 71 | 62 61 m 1H | 42 42 t 2H J 63 | 39 38 s 3H | 35 34 t 2H J 63 | 33 33 s 3H | 29 28 t 2H J 62 | 27 27 t 2H J 63 | 24 24 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)N2CCc3nnc(NN)cc3C2)cc1
ir: 3 5 11 4 4 5 3 6 6 1 5 4 6 10 3 6 7 7 5 6 14 6 5 5 26 28 12 23 26 61 16 17 12 13 8 10 9 13 7 4 2 7 5 1 2 4 3 1 2 3 7 4 6 4 16 20 6 2 2 3 3 1 4 3 6 10 38 36 4 19 3 1 1 1 1 0 1 1 1 3 3 5 1 1 2 2 3 10 4 12 7 5 4 4 4 2 3 2 4 1 2 2 9 4 1 1 1 1 0 1 2 1 0 2 7 9 3 3 6 8 8 3 4 12 8 9 7 2 5 3 7 8 3 2 1 3 6 6 12 50 41 28 5 10 16 70 100 25 11 7 8 10 18 7 2 1 2 0 1 5 10 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 3 1 1 2 1 5 3 11 7 9 27 36 24 4 4 4 1 1 1 2 1 0 1 2 3 15 24 3 2 1 5 2 2 4 14 31 66 78 22 8 4 4 2 1 2 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 77 77 m 2H | 72 71 m 3H | 66 66 d 1H J 10 | 50 50 d 2H J 42 | 47 46 d 2H J 10 | 39 39 m 2H | 29 29 m 2H | 23 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)N1CCN(CCCc2ccccc2)CC1
ir: 2 1 0 1 2 2 1 3 6 6 1 2 2 1 0 1 1 1 2 5 4 6 4 5 2 1 1 1 8 6 11 10 11 1 1 4 4 1 5 37 14 14 50 100 12 7 5 3 2 1 3 1 2 0 1 2 2 4 3 3 1 1 1 2 2 2 3 9 6 5 3 2 1 0 3 3 0 0 13 7 17 5 4 9 9 2 2 3 6 2 2 3 4 2 2 1 1 3 4 3 0 3 7 4 6 9 4 2 1 1 1 3 1 2 2 2 0 2 2 1 0 2 3 2 1 1 2 1 1 2 6 1 1 3 8 10 6 2 2 1 1 2 15 19 3 4 4 15 12 6 4 5 73 13 6 2 3 1 1 1 3 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 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 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 2 2 3 9 9 6 93 27 5 5 4 2 1 1 2 2 1 1 1 1 1 1 2 1 1 2 4 4 6 4 12 39 10 9 3 1 1 1 1 1 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 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 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 s 1H | 74 74 m 2H | 73 72 m 7H | 70 70 tt 1H J 11 68 | 34 33 m 4H | 27 26 m 6H | 26 25 t 2H J 63 | 19 18 tt 2H J 62 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)c2cc3c(cc2n1)OCO3
ir: 3 3 2 4 1 3 3 3 2 3 3 2 3 3 3 3 8 3 3 4 4 4 3 2 5 3 3 2 2 3 4 3 3 3 6 2 2 3 3 2 2 3 3 2 2 3 3 7 9 10 5 3 3 3 3 1 11 0 3 3 3 3 3 3 13 14 4 27 33 14 30 5 13 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 4 4 3 3 2 7 8 3 3 3 3 3 2 3 20 3 3 3 3 4 4 4 4 4 3 3 3 3 3 3 3 5 3 3 3 3 3 3 3 3 2 3 3 2 2 7 26 8 3 2 3 3 2 17 4 2 2 4 53 25 3 50 85 3 3 3 2 3 3 1 12 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 3 3 2 3 2 2 2 2 2 3 3 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 7 11 10 10 50 100 7 5 5 3 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 75 s 1H | 74 74 s 1H | 70 70 d 1H J 9 | 61 60 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.
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCOCCOCCOCC(=O)O)[C@H]3[C@@H]1CC[C@@H]2O
ir: 1 1 1 1 0 2 2 1 1 3 2 2 4 6 5 4 5 5 5 3 6 19 3 4 3 1 2 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 3 0 1 1 3 1 1 1 1 2 1 2 3 1 1 2 2 3 2 2 1 4 3 2 2 1 2 11 6 6 16 16 21 1 2 4 4 3 4 6 1 1 1 1 3 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 2 1 1 1 1 2 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 2 4 5 2 0 1 0 0 1 2 0 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 2 2 1 1 2 2 1 1 1 1 1 3 3 2 5 3 1 1 0 1 3 2 100 16 19 5 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 7 90 | 67 66 dd 1H J 21 89 | 65 65 dt 1H J 8 20 | 64 64 s 1H | 41 41 s 2H | 40 40 t 2H J 49 | 37 36 m 7H | 35 34 t 2H J 59 | 28 28 ddd 1H J 9 50 143 | 28 27 m 2H | 25 24 m 1H | 21 20 dddd 1H J 42 66 91 133 | 20 19 m 1H | 18 16 m 5H | 16 15 m 2H | 15 15 m 2H | 15 13 m 8H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(S(=O)(=O)c2ccccc2)c1
ir: 3 2 2 8 10 5 4 9 17 11 6 14 2 7 10 8 2 5 4 6 8 3 5 5 1 3 4 2 1 5 21 2 24 17 8 3 4 6 2 4 38 5 3 1 3 2 2 1 2 2 2 3 3 4 3 1 1 2 2 2 1 4 6 4 33 3 7 8 6 5 3 5 3 2 3 2 4 7 11 9 4 2 2 1 19 11 8 3 1 2 10 4 0 1 2 1 2 3 8 19 22 16 4 6 6 2 3 2 1 3 2 2 7 16 14 6 2 4 3 2 15 9 21 27 15 8 14 5 4 2 1 2 2 1 3 36 5 2 1 2 2 3 4 23 100 16 5 0 0 2 2 2 1 1 1 1 3 5 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 3 5 4 5 3 3 3 7 8 13 11 4 7 13 9 2 4 2 2 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 1 0 0 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 t 1H J 16 | 82 82 t 1H J 16 | 80 79 m 2H | 79 78 ddt 1H J 13 72 88 | 77 77 m 3H | 54 54 dd 1H J 27 62 | 54 54 m 1H | 53 52 ddt 1H J 26 53 69 | 52 51 ddd 1H J 27 68 81 | 34 33 dd 1H J 27 137 | 31 30 dd 1H J 55 139 | 21 20 d 6H J 42 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(OC)C(C#N)=NO
ir: 13 12 15 15 19 50 88 62 44 13 27 26 9 6 5 9 7 11 4 2 3 2 3 4 4 2 2 3 4 3 2 3 5 2 3 2 3 1 4 3 3 3 4 5 4 2 3 3 3 4 5 6 6 2 6 6 6 4 3 2 2 2 2 2 3 3 3 2 3 2 7 13 29 22 19 14 20 11 100 43 41 7 7 3 3 3 6 3 4 30 31 21 9 4 14 9 8 10 10 6 6 25 17 10 8 3 11 3 3 2 2 3 0 3 5 3 5 6 3 6 5 3 2 2 1 2 3 2 2 2 2 1 1 2 2 1 1 2 4 8 8 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 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 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 1 1 2 2 2 2 3 2 1 2 3 2 2 2 12 12 3 3 2 1 1 1 2 1 1 1 8 4 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 50 50 q 1H J 16 | 37 37 dt 1H J 66 114 | 36 35 dt 1H J 67 114 | 34 34 d 3H J 15 | 16 15 m 2H | 14 13 m 2H | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2nc(OC)n(CCCN3CCN(C)CC3)c2n1
ir: 5 2 2 3 4 3 4 4 6 5 4 4 4 4 6 4 4 3 5 5 3 3 9 7 3 2 7 7 6 4 2 3 3 1 3 3 4 6 16 26 18 6 3 6 3 3 4 2 2 4 2 2 4 3 2 2 2 4 4 2 2 2 2 5 12 4 2 4 3 3 2 7 2 3 3 1 1 3 11 6 7 5 6 8 9 6 4 1 1 1 5 9 3 1 1 1 2 5 2 4 6 2 3 1 2 1 3 4 1 1 3 3 1 2 2 3 5 3 2 2 4 3 2 2 3 7 8 2 4 4 1 2 2 2 1 2 1 1 1 2 1 2 2 15 5 3 4 4 6 8 36 23 10 7 20 4 3 0 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 2 2 1 1 1 1 1 1 3 3 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 5 12 3 2 2 1 1 1 1 0 1 2 2 100 7 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H | 43 43 t 2H J 81 | 43 42 t 2H J 81 | 40 39 s 3H | 26 26 t 2H J 59 | 26 25 s 7H | 24 23 s 3H | 20 19 tt 2H J 59 81 | 19 18 tt 2H J 69 83 | 15 14 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)COS(=O)(=O)c1cccc(-c2ccc(F)c([C@@]3(C)NC(=O)COC(C)(C)C3(F)F)c2)c1
ir: 1 13 16 11 17 20 20 15 6 14 20 24 7 13 10 6 3 8 10 4 2 5 7 6 4 6 7 4 6 43 25 24 31 20 35 19 26 39 28 24 6 7 11 8 22 45 19 17 18 20 8 8 12 8 18 21 6 10 6 1 6 10 11 6 12 25 38 20 17 29 21 5 9 13 7 3 8 15 14 14 8 20 11 8 9 72 84 41 23 9 18 4 11 8 2 5 8 6 3 7 12 7 3 6 10 8 11 11 8 5 1 4 7 5 1 5 9 8 8 16 21 17 3 15 11 9 13 7 15 13 6 13 15 14 25 18 8 4 3 18 20 6 9 12 7 2 2 7 11 6 6 20 100 55 10 11 7 3 4 7 5 1 3 7 5 1 4 8 4 0 4 8 4 0 4 7 3 0 4 7 3 1 4 7 3 1 5 6 3 1 5 6 2 1 5 6 2 2 5 5 2 2 6 5 2 2 6 5 1 2 6 5 1 3 6 4 1 3 6 4 1 3 7 4 0 3 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 2 3 7 6 3 4 8 5 1 6 7 5 2 4 7 7 19 22 19 24 11 28 18 10 6 6 7 4 2 5 7 4 2 5 7 3 3 6 6 3 3 7 9 18 20 22 13 21 16 9 6 3 4 5 5 2 3 5 5 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 4 6; 1HNMR: 81 81 t 1H J 21 | 79 78 dt 1H J 21 73 | 78 77 dd 1H J 22 33 | 77 76 m 2H | 75 74 m 2H | 73 72 dd 1H J 75 102 | 43 43 d 1H J 148 | 42 41 d 1H J 150 | 37 37 s 2H | 17 17 t 3H J 33 | 14 13 t 3H J 33 | 13 13 t 3H J 33 | 11 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CSCCO)NCCCOc1cc(CN2CCCCC2)ccn1
ir: 18 3 9 4 8 5 8 6 6 7 6 3 4 12 11 4 6 6 5 3 5 5 6 13 12 6 15 11 12 22 15 21 10 31 21 10 8 8 5 5 5 7 9 10 10 9 4 8 6 7 4 3 4 3 9 7 5 4 6 4 7 2 2 11 11 5 10 16 7 12 11 9 7 8 9 7 3 4 4 18 41 12 6 5 15 15 49 19 9 19 8 40 18 11 11 5 6 13 8 9 8 7 5 4 3 4 5 7 9 9 14 17 11 8 10 6 3 8 9 10 8 10 12 7 3 6 5 4 5 5 4 6 6 4 6 4 7 15 12 3 5 7 8 10 40 94 100 12 15 4 6 4 3 3 2 3 3 3 3 25 34 9 3 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 2 2 2 2 2 1 2 2 1 3 2 2 2 3 3 5 7 5 6 3 8 3 5 4 6 10 19 8 8 11 29 17 6 12 7 5 47 36 44 8 6 1 2 3 2 2 3 3 3 6 7 11 21 66 58 29 10 4 3 2 2 2 2 2 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 46 | 71 70 m 2H | 66 65 dt 1H J 9 20 | 43 42 t 2H J 68 | 38 37 dt 2H J 45 57 | 37 36 t 2H J 8 | 33 32 td 2H J 46 59 | 32 32 s 2H | 28 28 t 2H J 45 | 28 27 t 1H J 57 | 24 23 m 4H | 21 20 tt 2H J 59 68 | 16 15 dtd 4H J 32 48 60 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(F)F)[nH]c1=O
ir: 16 14 12 19 15 14 13 15 18 13 13 14 15 15 24 21 16 14 14 16 18 17 14 15 14 13 13 14 14 15 14 14 14 14 13 13 14 15 21 19 13 16 14 11 13 18 15 7 13 39 100 79 62 0 14 27 15 8 14 20 15 12 20 19 13 10 15 18 14 12 15 16 15 13 23 22 13 12 16 15 12 12 15 15 12 12 15 15 12 12 15 15 16 17 18 15 11 13 16 14 11 13 16 14 11 13 16 14 12 15 18 14 12 15 17 19 12 16 18 15 13 14 16 13 11 22 23 15 13 16 16 13 13 15 17 14 13 14 14 27 34 16 16 13 34 28 17 12 13 16 15 12 16 24 21 22 26 15 15 13 14 16 14 17 18 17 14 11 13 15 13 11 13 15 13 11 14 15 13 12 14 15 13 12 14 15 13 12 14 15 13 12 14 15 13 12 14 14 12 12 14 14 12 12 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 13 11 13 15 13 11 13 15 13 12 14 15 13 12 14 15 13 12 14 15 13 12 14 15 13 12 14 14 13 12 14 14 12 12 14 14 12 13 14 14 12 13 15 14 12 13 15 14 12 13 15 14 12 14 15 14 12 14 17 14 12 14 16 16 20 16 15 14 12 14 15 13 12 14 15 13 12 14 15 13 13 14 15 14 16 20 22 32 20 19 17 15 13 15 14 12 13 14 14 13 13 15 14 12 13 15 14 12 13 15 13 12 13 15 13 12 13 15 13 12 13 15 13 12 14 15 13 12 14 14 13 12 14 14 13 12 14 14 13 12 14 14 13 13 14 14 13 13 14 14 13 13 14 14 12 13 14 14 12 13 14 14 12 13 14 14 12 13 15 13 12 13 15 13 12; 1HNMR: 80 79 d 1H J 102 | 74 73 dtd 2H J 10 29 103 | 66 66 d 1H J 11 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC#N)c1ccc(Cl)cc1Cl
ir: 1 2 1 5 5 3 3 4 2 2 3 6 6 6 3 9 22 4 1 1 1 0 1 2 5 1 1 1 1 0 1 1 2 1 1 1 1 2 2 3 2 13 4 2 2 2 1 0 2 3 3 3 20 78 28 8 16 1 4 6 11 1 2 4 2 4 53 10 10 1 4 3 1 0 2 2 1 0 1 2 1 1 8 9 3 1 5 4 1 0 3 5 9 10 8 3 2 4 9 5 6 4 2 1 2 3 6 8 6 9 17 7 7 7 3 3 6 5 11 17 3 9 6 2 3 2 2 1 1 2 3 4 1 2 3 1 1 3 2 2 14 5 3 1 1 2 2 2 39 16 3 7 22 2 1 1 1 1 2 1 9 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 62 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 3 4 7 5 7 9 6 3 5 7 3 6 16 18 22 41 100 37 8 4 7 3 3 1 2 1 1 2 2 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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; 1HNMR: 74 74 d 1H J 18 | 73 72 m 2H | 32 31 pd 1H J 7 61 | 29 29 dd 1H J 58 105 | 27 26 dd 1H J 57 104 | 19 18 dtd 1H J 72 85 130 | 16 15 dtd 1H J 71 86 128 | 14 12 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCCCCCCCCCCC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ir: 6 3 7 14 34 32 15 21 19 8 6 2 1 1 2 2 3 2 3 1 1 1 1 1 1 2 1 0 1 2 3 1 1 1 0 1 1 1 2 1 2 1 3 1 2 5 1 1 3 1 3 3 2 6 3 1 1 5 1 1 0 2 3 2 1 2 3 1 1 3 9 9 4 8 5 1 2 2 1 2 2 14 6 11 8 11 34 18 35 24 10 6 3 4 2 2 1 2 1 2 2 2 0 0 2 1 0 2 1 1 2 2 1 1 1 2 1 1 2 2 2 3 2 1 1 1 1 2 1 4 3 5 7 7 6 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 2 2 1 1 3 3 2 1 1 1 0 1 1 0 2 7 68 22 4 1 1 1 4 8 7 1 2 1 2 5 100 71 8 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 50 49 d 1H J 59 | 47 46 m 2H | 46 45 d 1H J 61 | 39 38 m 2H | 38 37 dt 1H J 50 77 | 37 36 m 3H | 35 34 tdd 1H J 17 59 89 | 27 26 tt 2H J 53 65 | 19 18 tt 2H J 52 74 | 18 16 dtd 1H J 51 94 137 | 16 15 m 2H | 15 14 m 3H | 14 14 m 1H | 14 12 m 7H | 13 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(CCCc2ccccc2)cc1
ir: 1 4 3 1 2 7 1 1 1 3 3 2 4 50 14 1 2 2 2 1 3 9 3 9 2 2 2 1 3 7 9 7 7 13 3 2 1 12 7 8 42 6 4 5 7 5 4 8 10 3 3 2 5 10 13 5 2 2 1 2 1 0 1 2 1 1 2 4 3 46 2 0 2 2 1 2 2 9 9 2 2 1 1 1 2 2 1 3 3 5 9 2 1 1 3 3 43 6 7 2 4 7 2 3 32 21 1 1 2 3 5 4 2 1 1 1 3 5 2 4 4 4 2 3 10 17 3 2 1 1 1 1 2 2 8 7 3 2 2 2 2 3 6 55 100 12 5 2 2 4 3 24 13 5 3 1 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 1 2 4 2 2 3 3 1 3 4 3 5 12 18 42 50 45 30 7 7 2 1 2 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 99 s 1H | 79 78 m 2H | 73 72 m 5H | 72 71 m 2H | 27 26 tdt 4H J 9 35 78 | 19 18 p 2H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)OC)CCCC2
ir: 11 10 7 13 23 17 16 23 16 7 7 10 13 8 36 28 17 10 26 8 8 3 1 7 11 6 3 11 9 3 2 7 7 9 8 10 14 8 6 11 9 13 57 36 31 13 12 17 28 7 46 18 9 1 39 28 14 2 44 17 9 4 11 13 11 29 17 11 15 5 8 7 5 2 6 17 6 4 7 11 4 4 11 12 13 36 47 19 5 7 6 7 3 5 10 7 5 5 9 9 6 13 21 100 36 10 8 41 14 40 34 11 3 7 15 22 15 92 25 27 20 6 15 13 6 5 7 8 3 8 7 3 3 6 12 26 12 17 10 34 16 9 6 3 5 9 47 36 4 24 40 2 4 9 12 7 5 8 7 11 21 11 4 1 3 7 4 0 4 7 4 0 4 7 4 0 4 7 3 1 4 7 3 1 5 7 3 1 5 6 3 1 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 2 6 5 2 3 6 5 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 5 3 2 6 5 2 3 6 5 3 3 6 5 2 4 6 5 4 7 9 8 3 4 7 5 5 6 18 13 11 22 66 78 9 8 11 4 1 5 8 4 2 5 7 4 2 6 7 3 2 5 7 3 3 6 8 6 14 57 82 4 5 8 7 2 3 7 5 1 3 6 5 1 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1; 1HNMR: 81 80 m 2H | 78 77 ddd 1H J 16 75 88 | 76 75 td 1H J 13 77 | 70 70 d 1H J 79 | 70 69 dt 1H J 9 80 | 39 38 s 6H | 32 31 m 2H | 27 27 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(n1)N(c1cnc3c(c1)OCC(N)C3)C(=O)CN2
ir: 7 21 0 2 2 1 2 2 4 8 2 3 2 1 0 1 1 2 3 4 5 1 1 2 2 2 1 1 6 3 2 2 1 2 2 4 1 2 1 19 2 4 2 1 1 2 2 3 1 2 5 3 9 9 3 3 4 5 26 14 3 2 5 14 2 1 5 6 3 3 2 1 2 5 2 7 46 3 1 1 1 2 11 1 1 1 1 2 6 4 4 2 3 1 3 1 2 1 1 1 1 1 1 2 4 7 3 2 5 1 23 1 1 1 1 1 2 2 2 2 6 10 4 7 2 4 5 3 3 3 16 8 12 21 1 3 2 6 21 3 27 15 4 2 2 2 2 3 10 11 3 1 3 5 7 6 1 1 1 1 5 6 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 1 3 2 4 2 3 8 14 4 2 2 1 2 1 1 1 1 1 2 4 3 43 7 4 3 7 4 3 64 41 18 100 6 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 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; 1HNMR: 92 91 d 1H J 18 | 82 81 d 1H J 18 | 74 74 d 1H J 88 | 66 66 d 1H J 88 | 64 63 t 1H J 47 | 44 43 dd 1H J 38 123 | 42 41 d 2H J 48 | 41 40 dd 1H J 38 123 | 40 39 s 2H | 35 34 m 1H | 31 31 dd 1H J 54 169 | 29 28 dd 1H J 55 170 | 21 21 d 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(OCCCCCI)cc1
ir: 2 5 9 5 1 4 7 5 2 5 8 5 1 8 9 5 4 7 9 3 3 6 8 5 9 7 10 26 5 13 11 10 10 23 36 15 48 64 13 17 6 10 12 6 6 10 6 3 5 8 5 5 8 15 8 36 73 34 11 2 6 15 6 9 6 6 6 26 17 48 13 4 8 7 4 2 6 11 4 3 5 6 3 3 6 6 4 6 21 7 3 3 7 8 10 13 31 8 4 8 11 7 3 4 7 5 3 7 9 8 11 10 18 25 12 13 17 22 6 17 13 9 12 12 11 8 8 14 9 6 7 7 6 5 3 5 6 4 3 6 6 4 6 8 11 16 82 95 13 9 10 9 24 2 3 7 7 2 3 7 12 2 4 7 5 2 4 7 4 1 4 7 4 1 4 6 4 3 4 5 4 6 44 13 3 0 5 8 3 2 5 7 3 2 5 6 3 2 6 6 3 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 4 6 4 2 4 7 4 1 4 7 4 1 4 7 4 2 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 6 5 3 3 6 5 3 3 6 5 3 4 6 7 7 7 9 9 11 18 12 6 5 7 9 19 26 100 25 33 75 37 23 9 10 8 13 7 3 5 8 3 2 5 6 3 2 5 6 3 2 5 6 4 3 5 5 2 3 6 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 1 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 76 76 m 2H | 71 70 m 2H | 40 39 t 2H J 62 | 32 32 t 2H J 56 | 19 18 tt 2H J 55 69 | 18 17 m 2H | 15 15 p 2H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2C(c2ccc(Cl)c(Cl)c2)C1
ir: 16 2 2 3 5 6 0 2 3 3 10 11 1 1 1 7 2 3 4 3 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 3 3 2 1 1 2 6 2 1 1 1 1 0 1 1 0 1 3 8 20 31 12 3 5 0 1 4 3 2 7 33 4 7 5 4 1 1 1 1 3 3 1 1 2 6 6 2 4 5 100 6 5 5 17 5 16 2 6 5 2 1 6 3 9 5 6 5 3 33 30 13 3 3 2 1 1 1 1 1 1 1 2 3 6 8 15 21 14 5 2 3 4 3 3 1 0 1 1 1 4 1 1 2 1 1 1 2 9 3 1 2 19 7 12 5 2 4 9 18 2 2 1 1 1 3 3 0 0 1 2 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 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 2 1 1 1 0 1 1 1 2 4 5 10 10 8 18 42 38 21 8 4 2 2 4 3 1 1 1 1 1 1 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 0 0 0 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 m 2H | 78 77 m 2H | 76 75 dd 1H J 22 82 | 75 75 m 3H | 73 72 dd 1H J 22 82 | 72 71 dd 1H J 6 83 | 43 43 m 1H | 40 39 dd 1H J 7 132 | 38 37 dd 1H J 7 132 | 33 32 s 3H | 32 32 m 1H | 30 29 dd 1H J 46 117 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn2c1CN1CCCC1
ir: 6 2 2 2 2 2 2 3 1 4 3 1 1 3 1 9 2 2 2 1 1 2 2 1 0 2 4 3 24 17 7 9 8 5 4 5 2 5 10 9 22 3 4 0 4 3 16 28 31 2 5 4 1 1 4 3 1 1 1 1 1 2 2 1 4 11 2 2 5 3 1 1 2 2 6 4 2 8 15 12 11 12 2 5 1 2 1 1 10 5 5 2 3 6 2 12 4 2 6 37 4 3 1 1 1 2 2 11 1 6 2 3 4 7 4 2 2 1 3 5 4 5 10 6 10 3 3 1 2 2 6 20 3 3 3 2 1 1 1 3 100 4 1 5 12 3 11 2 1 2 2 7 2 6 28 3 1 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 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 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 2 1 0 1 1 1 4 5 6 4 15 11 12 19 14 3 2 1 1 1 1 1 0 1 1 1 1 1 1 2 1 3 5 3 17 17 3 4 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 13 | 84 84 t 1H J 50 | 83 82 p 1H J 13 | 75 74 dd 1H J 17 52 | 74 73 m 1H | 74 73 m 1H | 71 70 m 4H | 47 46 dd 2H J 8 50 | 41 41 s 2H | 29 28 m 4H | 19 18 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc2c(Oc3cnc(C(=O)N4CCCC4)cn3)cc(C(=O)OC)cc2n1
ir: 28 10 2 8 12 11 2 37 20 8 9 16 33 19 17 19 14 9 4 10 10 7 4 8 14 8 8 11 11 4 6 14 10 9 8 14 9 3 4 9 16 21 19 14 8 1 7 9 10 1 5 8 8 0 5 9 6 0 4 8 7 1 6 12 19 1 12 41 8 13 12 46 23 6 5 8 5 3 6 5 3 2 6 6 4 3 6 6 2 3 7 10 9 7 7 23 12 7 12 15 3 17 81 8 2 6 12 10 12 18 11 6 3 12 24 16 31 14 17 7 4 13 10 6 6 29 12 15 25 55 15 7 3 7 7 22 12 8 17 6 4 6 6 11 27 9 100 12 5 8 7 4 18 7 6 2 3 7 11 3 6 7 5 6 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 2 6 5 2 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 3 6 5 2 3 6 5 2 3 7 5 4 5 6 6 2 5 8 7 2 7 9 6 3 7 17 19 10 8 41 24 16 33 17 5 2 5 6 4 3 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 87 86 s 1H | 81 81 s 1H | 79 79 d 1H J 23 | 79 78 m 1H | 77 76 d 1H J 22 | 40 39 qd 2H J 8 49 | 39 39 s 2H | 37 36 td 4H J 18 36 | 20 19 p 4H J 20 | 15 14 t 3H J 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC(CNc2cc(Nc3cnc(C#N)cn3)ncc2N)C1
ir: 6 5 4 8 8 19 17 4 18 18 12 21 24 21 7 11 12 9 4 4 12 10 7 3 3 7 6 5 6 33 15 10 5 3 2 0 4 7 13 4 5 3 2 1 2 2 2 2 2 4 3 2 2 1 2 2 2 1 1 1 2 3 1 5 8 26 11 7 4 3 3 23 6 1 3 2 2 5 4 19 5 1 1 1 1 2 0 1 3 1 1 1 3 2 3 12 2 2 20 1 2 2 1 2 4 2 1 5 8 3 5 3 5 3 1 1 1 1 2 11 7 4 19 6 6 3 8 6 5 3 3 5 7 2 4 5 9 11 2 1 2 2 1 2 1 2 2 4 33 14 74 30 5 3 2 3 2 7 76 10 8 3 2 1 13 18 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 3 1 1 0 1 1 1 0 1 1 0 1 1 1 0 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 1 1 1 2 1 2 3 4 8 9 5 6 2 3 1 1 1 2 1 2 1 1 1 0 1 4 2 1 2 2 16 9 2 2 7 14 67 97 13 6 2 27 100 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 94 s 1H | 85 85 s 1H | 84 84 s 1H | 83 83 s 1H | 63 62 t 1H J 64 | 60 60 s 1H | 44 43 s 2H | 37 36 dd 1H J 45 122 | 36 35 ddd 1H J 37 65 123 | 35 33 m 3H | 32 32 ddd 1H J 49 64 128 | 21 20 m 1H | 19 17 m 2H | 17 15 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)c1ccc(F)c(F)c1
ir: 1 1 2 2 3 3 2 1 1 1 1 1 1 1 1 2 1 2 1 2 7 6 7 0 0 1 1 0 0 1 1 0 0 2 2 1 1 3 2 0 1 1 2 1 2 1 1 0 1 2 1 0 2 9 6 4 1 1 1 0 1 2 1 1 1 2 3 6 4 4 2 2 3 2 1 1 2 1 1 0 2 3 3 4 5 5 4 10 10 15 13 2 1 3 4 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 11 6 1 1 2 1 3 4 3 2 1 0 1 2 1 0 1 1 0 0 1 1 2 0 1 1 0 1 1 1 4 2 1 3 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 4 1 2 1 2 4 2 2 2 1 2 2 3 1 3 5 6 2 18 38 36 9 4 1 3 16 100 76 77 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 2 3 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 m 3H | 47 46 m 1H | 30 30 d 1H J 57 | 20 18 m 1H | 17 16 dqd 1H J 55 75 132 | 10 9 td 3H J 15 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCOS(=O)(=O)c1ccccc1
ir: 11 15 20 5 6 2 1 3 3 9 13 25 24 19 2 1 1 2 2 1 0 1 2 1 1 2 4 5 24 46 100 14 11 18 12 5 6 10 9 17 21 20 5 2 2 3 5 3 2 2 3 0 1 2 1 1 1 2 1 1 2 3 4 6 9 21 7 11 13 22 4 2 4 13 4 4 3 10 6 0 1 2 1 2 15 21 20 22 2 2 1 1 1 1 1 1 3 9 8 5 4 2 0 1 1 1 0 1 3 5 8 9 17 4 1 4 6 4 3 15 11 9 12 4 6 3 4 4 9 5 7 7 2 4 17 18 1 1 2 2 3 6 21 32 29 24 23 20 17 63 35 3 3 1 1 1 1 5 3 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 2 1 2 3 3 2 2 1 2 2 2 1 2 4 12 19 10 28 52 33 17 7 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 0 1 3 6 5 14 15 30 9 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 78 77 m 1H | 77 76 m 2H | 51 50 t 1H J 49 | 41 40 t 2H J 65 | 33 32 td 2H J 49 59 | 19 18 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(C(O)C(C)C)c(C(N)=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ir: 5 12 12 17 8 6 8 6 6 3 5 2 5 4 4 7 4 7 5 4 2 4 3 4 4 4 4 4 3 4 3 4 2 2 4 3 2 4 6 3 5 6 19 26 5 2 5 3 3 3 3 2 3 5 4 8 12 8 4 3 5 3 3 6 3 2 3 2 3 3 3 3 3 2 7 3 9 6 4 4 3 3 4 3 4 3 5 20 18 12 7 3 5 5 4 2 5 3 3 3 3 4 2 5 5 3 3 4 5 9 6 8 5 9 7 4 3 5 3 14 8 5 6 5 5 4 4 3 2 3 3 4 3 2 3 3 16 13 6 3 2 3 4 0 76 19 2 6 6 3 9 4 7 5 7 17 5 5 2 3 2 2 2 3 2 1 3 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 3 6 4 4 6 3 4 7 4 9 8 14 12 25 44 33 7 6 2 4 3 2 6 4 2 2 2 2 2 2 2 2 10 2 2 3 3 2 4 9 22 5 7 11 100 51 6 3 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 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; 1HNMR: 79 78 dd 1H J 13 82 | 76 74 m 3H | 72 71 m 2H | 71 70 s 2H | 68 68 dq 2H J 9 70 | 55 54 d 2H J 8 | 48 47 dddd 1H J 15 29 60 71 | 45 45 d 1H J 55 | 26 26 t 2H J 62 | 21 20 dtd 1H J 67 74 147 | 17 16 qt 2H J 62 74 | 11 10 ddd 6H J 15 73 223 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[C@H]1COS(=O)N1Cc1ccccc1
ir: 9 9 10 10 15 13 10 9 9 21 12 10 10 9 9 9 9 11 16 9 9 9 9 9 9 9 13 11 9 9 25 10 12 10 23 11 10 9 9 12 20 17 10 34 75 22 14 11 10 9 9 9 9 10 12 11 13 12 12 10 10 10 15 15 15 0 57 5 34 100 11 28 15 9 10 12 10 19 43 6 13 12 9 8 12 21 19 14 11 13 15 10 10 11 15 14 10 18 9 12 13 10 9 9 10 9 9 9 9 9 9 9 9 9 9 9 10 9 12 13 17 13 11 11 11 10 9 14 22 12 15 11 10 11 14 49 10 9 9 11 10 11 18 43 15 16 11 10 9 9 9 11 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 10 9 9 10 9 9 9 10 11 12 10 19 27 25 20 88 22 14 10 8 9 11 9 9 10 10 9 8 9 9 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 73 72 m 5H | 42 42 m 2H | 41 41 m 2H | 26 25 dddq 1H J 15 29 44 60 | 9 9 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1(c2ccc(F)cc2)CCOCC1
ir: 2 2 1 1 2 2 3 4 3 3 5 4 3 5 7 12 8 3 3 4 7 75 98 10 6 2 3 4 4 6 5 3 2 4 5 2 3 3 2 2 2 1 2 6 3 3 2 2 2 2 2 5 2 8 28 8 11 11 4 3 2 2 2 4 3 2 3 2 3 10 2 2 2 5 4 4 10 13 6 9 12 2 4 3 2 5 6 5 3 6 4 2 2 2 2 2 2 3 4 2 2 2 3 2 1 2 2 2 2 2 2 2 3 5 4 6 7 10 10 2 2 2 2 2 4 3 3 4 4 7 2 8 4 3 2 1 2 3 2 3 2 2 2 4 21 4 2 3 10 9 5 2 2 3 4 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 2 2 1 1 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 2 1 2 2 2 3 3 3 2 2 2 2 2 2 3 3 7 10 12 30 17 9 4 2 2 3 2 0 10 100 51 5 1 1 2 2 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 73 72 m 2H | 71 70 m 2H | 39 38 ddd 2H J 37 64 115 | 38 37 ddd 2H J 37 63 115 | 25 24 ddd 2H J 37 64 145 | 22 22 ddd 2H J 37 62 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1n[nH]c2ccc3nc(N)sc3c12
ir: 1 1 3 4 2 3 3 2 3 7 18 25 20 13 6 4 4 4 8 13 7 5 5 2 4 7 20 12 4 6 4 2 62 35 2 3 2 0 10 5 2 1 1 1 2 2 2 2 1 1 1 1 2 3 7 5 4 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 2 4 13 11 2 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 5 9 2 1 1 1 1 6 3 6 16 2 1 1 1 2 5 2 1 1 3 2 1 1 1 1 1 3 13 7 1 1 1 8 6 2 1 1 2 1 1 1 1 2 1 3 2 2 0 1 7 10 9 12 68 33 7 6 11 33 8 4 0 4 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 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 1 1 1 1 1 2 3 3 9 9 1 2 1 1 1 1 2 1 2 2 1 1 1 2 2 3 27 19 5 1 1 1 3 1 6 6 10 11 30 100 30 9 3 0 0 2 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 78 d 1H J 88 | 76 76 d 1H J 86 | 70 70 s 2H | 56 56 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)C(c1ccccc1C)N1CCN(C(=O)OC(C)(C)C)CC1
ir: 15 11 17 14 8 15 11 8 5 25 17 16 15 30 13 6 4 5 4 3 7 7 3 4 2 2 3 3 5 5 4 15 8 12 6 40 3 5 6 12 8 21 52 40 17 9 8 3 4 7 3 19 7 2 1 3 4 3 3 2 4 8 10 6 6 6 4 4 7 5 4 4 3 8 3 6 4 1 4 14 7 38 14 18 12 19 34 12 11 7 8 10 12 15 12 6 6 11 26 15 6 7 4 11 15 6 4 4 15 10 11 14 5 14 6 12 23 28 22 21 11 15 23 36 12 9 9 13 9 20 6 17 7 5 12 19 17 59 28 8 5 3 5 5 9 26 41 100 34 27 6 70 1 6 3 0 1 3 2 6 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 6 6 3 3 2 4 7 4 4 10 4 9 7 28 74 24 38 51 37 20 10 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddd 1H J 14 69 84 | 74 73 m 1H | 72 71 m 2H | 41 41 d 1H J 7 | 35 32 m 13H | 23 23 d 3H J 6 | 15 14 s 7H | 11 11 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC(F)(F)F)cc1C=O
ir: 4 2 11 2 5 7 4 3 3 3 2 4 4 2 2 2 2 2 1 2 2 1 1 1 1 0 0 2 1 4 2 2 2 0 3 8 2 1 3 4 4 2 3 2 1 0 1 1 1 1 1 4 12 23 47 26 3 1 10 25 18 10 13 11 12 2 2 4 4 1 1 1 0 0 1 3 1 2 1 2 1 0 1 1 0 0 1 2 2 15 32 5 1 1 4 3 1 36 100 74 67 34 8 4 8 7 1 0 2 3 9 5 4 1 1 1 0 1 2 1 1 1 1 1 5 3 3 3 1 1 1 0 1 1 1 1 0 1 1 1 1 2 7 58 5 2 2 1 17 8 36 8 2 2 2 2 2 1 1 0 1 1 1 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 0 1 1 0 1 3 1 1 2 3 4 3 11 65 61 13 4 1 1 1 1 0 1 1 1 0 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 d 1H J 27 | 72 72 dd 1H J 27 73 | 70 70 d 1H J 73 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(OCc2ccccc2)c(C(Cc2ccccc2)C(=O)Cl)c1
ir: 1 2 0 1 1 1 1 2 1 4 5 4 5 2 2 1 1 1 1 0 1 2 5 1 2 1 1 2 1 5 8 4 6 3 5 2 3 1 9 15 73 8 2 2 1 3 1 0 0 1 1 0 1 2 4 10 3 1 1 0 0 1 3 3 1 1 2 2 5 10 1 1 1 1 0 0 1 2 4 2 1 0 0 0 1 1 3 1 3 10 4 2 1 1 0 1 1 8 4 2 2 5 1 3 1 1 1 2 5 6 2 2 3 1 2 1 2 2 1 3 4 2 2 2 3 2 3 1 1 1 1 2 2 1 4 30 3 4 2 24 3 2 11 20 6 5 2 3 1 5 2 1 2 2 2 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 1 2 3 5 4 12 100 33 21 3 2 3 1 1 1 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; 1HNMR: 78 77 dd 1H J 7 22 | 76 75 dd 1H J 22 88 | 74 73 m 4H | 73 72 m 6H | 71 70 d 1H J 86 | 51 50 d 2H J 11 | 44 43 m 1H | 33 32 ddt 1H J 7 66 141 | 30 29 ddt 1H J 7 66 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cccc2ccccc12)N1CCSCC1CCCl
ir: 11 3 3 3 9 3 1 10 3 4 6 11 11 16 9 6 16 8 10 10 5 2 3 2 1 2 3 1 1 2 2 2 5 2 2 3 3 2 3 4 6 9 10 7 7 77 56 12 2 19 16 0 2 4 4 7 6 10 6 2 3 7 6 4 11 17 8 4 10 6 5 1 16 24 7 7 6 4 2 1 8 11 32 44 17 100 80 23 13 7 3 4 20 12 5 2 3 8 7 2 4 5 7 7 7 15 22 15 19 7 8 4 5 3 2 5 6 5 4 4 5 2 5 6 4 5 5 7 5 2 4 4 13 5 6 9 5 7 3 4 6 2 2 2 2 2 6 29 23 8 3 15 13 1 1 3 3 6 8 5 2 1 1 3 2 0 2 3 1 0 1 3 1 0 2 2 1 0 1 2 1 1 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 4 6 5 6 8 4 8 4 5 4 14 21 20 32 36 30 23 16 1 2 2 1 0 2 3 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 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; 1HNMR: 86 85 m 1H | 80 80 dt 1H J 14 77 | 80 79 m 2H | 78 77 dd 1H J 75 87 | 76 75 m 2H | 39 38 tt 1H J 59 73 | 38 37 m 1H | 37 37 m 1H | 36 36 m 2H | 29 28 m 2H | 28 27 ddd 1H J 49 75 121 | 26 26 dd 1H J 59 115 | 22 21 ddt 1H J 32 73 114 | 20 19 ddt 1H J 31 73 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=C=P(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 1 2 4 4 2 3 5 2 2 3 3 16 4 3 7 11 11 24 3 1 1 2 2 1 1 2 3 1 4 28 12 12 2 3 2 2 10 3 9 100 23 6 3 2 5 4 5 10 2 3 3 0 1 3 1 0 1 2 1 0 1 3 1 0 2 3 3 22 4 3 1 1 2 2 1 1 2 2 3 1 2 2 1 1 6 3 68 2 2 2 1 1 2 2 1 1 2 2 17 17 3 2 1 1 2 1 1 1 2 1 4 2 2 1 1 5 2 1 1 2 8 8 1 2 2 1 1 2 2 1 1 2 3 2 11 8 3 2 35 3 2 9 8 2 3 2 2 2 2 1 1 2 2 1 1 2 1 1 2 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 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 9 4 5 24 8 5 3 1 1 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 3H | 75 74 m 13H | 59 59 s 1H | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C12CC3CC(C1)C(=O)C(C3)C2
ir: 13 4 5 8 6 4 5 9 11 15 23 13 5 20 13 5 4 2 2 2 2 2 8 3 3 2 4 5 3 2 1 2 2 2 5 20 7 13 7 3 2 1 1 2 1 1 1 2 1 1 2 2 2 1 2 1 16 8 7 6 2 0 6 19 28 2 3 3 2 1 2 2 4 2 4 10 3 2 8 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 5 10 4 2 2 3 4 4 2 12 16 39 28 35 84 32 9 7 1 3 7 28 41 7 5 4 5 5 6 26 25 8 7 2 9 9 10 7 11 6 1 2 2 2 2 3 4 18 26 39 100 42 6 5 2 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 3 2 3 4 6 6 7 14 8 5 12 17 10 10 33 17 4 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 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 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 37 36 s 2H | 25 25 tt 2H J 50 57 | 23 23 dd 2H J 50 133 | 22 20 m 6H | 20 19 d 2H J 49 | 18 17 dt 2H J 58 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1)c1ncccc1-n1cccn1
ir: 4 3 6 5 9 3 4 3 11 12 3 2 2 2 2 4 3 2 4 6 4 4 5 5 10 9 6 4 7 7 17 6 10 11 14 66 79 69 54 35 15 12 9 7 11 6 11 7 5 4 5 11 9 25 15 13 10 1 3 4 2 11 9 4 2 2 10 4 2 1 4 8 5 5 2 2 1 4 5 3 3 3 3 1 2 6 10 3 3 5 4 7 7 2 6 3 4 7 24 61 15 5 5 3 4 10 9 9 3 5 4 3 29 6 9 2 1 2 4 4 6 3 6 13 19 26 43 22 9 7 8 7 5 2 4 4 5 10 10 11 11 20 26 24 100 89 23 21 26 17 32 28 8 8 9 5 2 4 4 2 8 16 3 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 2 2 1 0 2 2 1 0 2 2 1 0 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 2 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 2 2 2 3 2 3 4 2 2 4 7 7 4 15 43 23 17 24 41 5 0 2 2 2 2 3 3 2 1 5 4 2 4 6 9 3 17 43 49 37 56 13 13 5 9 4 3 3 3 2 2 1 1 1 1 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 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: 88 87 dd 1H J 22 38 | 85 84 m 2H | 80 80 m 1H | 79 79 dd 1H J 7 23 | 77 76 d 1H J 20 | 75 75 dd 1H J 38 75 | 75 74 d 1H J 82 | 68 68 d 1H J 73 | 65 64 m 1H | 61 60 d 1H J 70 | 44 43 m 1H | 41 40 m 1H | 21 19 m 2H | 19 18 m 1H | 18 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nnc(OC2CCN(C)CC2)cc1-c1ccc(OC2CCCCC2)cc1
ir: 4 1 2 4 4 5 2 6 3 5 3 3 3 5 4 2 0 2 3 5 8 5 8 5 6 4 3 2 3 1 2 3 3 3 2 3 4 3 4 1 2 2 2 4 1 2 3 2 1 3 2 2 4 12 22 41 62 18 3 4 3 4 2 1 3 3 0 38 7 5 3 10 4 4 8 44 11 4 8 11 100 5 3 2 1 2 3 12 9 14 3 2 4 2 3 4 6 9 8 3 1 4 2 3 9 6 8 6 7 19 24 11 9 13 10 5 8 8 5 4 7 5 3 7 7 8 5 12 6 2 5 8 10 13 13 22 11 3 2 1 1 1 2 11 33 4 6 24 81 5 5 5 13 1 1 2 3 5 0 0 0 1 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 2 2 6 9 3 6 6 4 3 3 3 8 6 44 15 30 95 27 9 3 1 1 2 2 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 72 71 s 1H | 70 69 m 2H | 49 48 p 1H J 49 | 45 44 p 1H J 47 | 30 29 t 2H J 90 | 29 28 ddd 2H J 60 86 119 | 27 26 ddd 2H J 59 86 119 | 23 23 s 2H | 22 21 dddd 2H J 49 59 86 128 | 20 19 m 4H | 18 14 m 13H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(=O)O)cnc1N
ir: 2 13 17 13 10 12 9 16 12 6 7 9 12 9 5 10 17 21 14 22 5 17 28 79 18 17 7 9 9 13 3 12 8 3 3 7 10 9 13 13 16 10 16 9 7 6 3 4 4 1 4 3 3 2 5 6 6 3 4 5 3 2 2 4 2 1 7 10 2 6 5 6 2 5 8 11 9 26 27 39 21 5 4 12 4 4 6 6 2 2 2 2 2 2 4 5 4 9 4 4 3 4 4 1 1 1 2 1 1 2 3 3 0 1 3 3 6 9 5 1 0 2 3 2 0 3 3 2 1 3 12 6 10 11 6 4 2 3 3 2 2 4 4 11 30 26 48 98 43 33 25 43 26 18 9 15 3 9 22 14 4 6 3 1 3 3 2 0 2 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 0 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 1 1 2 2 1 3 4 3 6 2 2 1 1 2 2 5 2 2 2 3 2 4 2 12 15 10 18 8 1 4 3 2 1 4 24 36 21 16 100 4 3 1 1 1 1 1 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 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 16 | 76 76 d 1H J 18 | 59 59 s 2H | 45 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc(CCO)c(C)s2)cc1
ir: 6 2 1 3 2 5 5 4 8 12 8 6 8 4 4 8 3 4 4 3 2 3 2 3 5 3 5 2 2 3 3 5 3 2 3 4 1 2 2 2 1 3 1 6 4 8 6 4 7 6 8 7 15 18 38 19 15 7 12 11 4 3 31 26 26 13 7 6 18 32 12 5 4 3 5 2 2 3 2 2 5 3 7 10 4 10 19 5 21 39 16 11 14 10 5 5 2 12 17 28 5 3 5 4 19 17 7 3 1 6 8 13 11 5 6 10 23 13 10 7 6 5 5 11 9 22 13 21 17 8 4 5 7 5 3 2 2 2 3 1 1 1 1 1 1 1 1 1 3 4 39 24 9 8 3 1 1 1 1 1 0 0 1 0 10 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 0 0 1 1 1 1 1 1 2 2 3 8 12 15 5 7 7 8 9 11 5 7 8 17 17 100 40 33 40 37 20 9 6 4 5 7 8 12 9 3 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 73 72 dq 2H J 8 81 | 39 39 dt 2H J 49 63 | 38 37 m 1H | 29 29 t 2H J 49 | 24 23 d 6H J 45
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
ir: 2 3 3 3 2 2 3 2 3 3 5 4 3 4 4 8 9 4 3 2 2 3 4 3 2 2 2 2 3 3 3 2 3 4 3 2 2 3 3 2 2 2 2 3 3 3 3 2 2 3 3 6 10 4 25 38 21 14 45 4 3 5 3 6 4 5 8 1 4 8 10 4 5 6 11 14 42 6 5 4 5 3 7 10 3 5 4 3 3 3 2 3 3 4 2 3 2 4 13 43 11 4 3 2 3 3 6 5 3 4 5 7 85 8 0 3 4 3 2 4 5 4 6 8 9 13 7 15 9 5 2 7 29 27 5 19 24 16 5 3 2 3 3 2 3 3 3 7 18 11 6 4 6 6 2 3 2 2 2 2 2 3 11 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 4 3 4 4 3 4 5 5 12 12 4 20 12 13 8 7 4 4 3 3 2 2 3 2 3 3 12 15 11 10 5 7 9 11 89 100 6 4 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 76 76 dq 2H J 14 77 | 71 70 m 2H | 44 43 p 1H J 49 | 31 30 ddq 1H J 46 54 99 | 21 21 d 2H J 53 | 20 19 dddd 2H J 49 60 86 137 | 18 17 dddd 2H J 44 59 86 145 | 17 16 dddd 2H J 49 60 88 137 | 15 14 dddd 2H J 46 60 86 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccn(OC(=O)N(C)c3ccccc3)n2)cc1
ir: 5 2 2 1 1 1 2 2 3 5 2 6 4 3 7 11 11 17 4 4 2 2 1 2 4 1 1 1 1 1 2 6 11 4 6 2 1 1 2 1 11 8 10 11 2 3 1 12 37 38 9 1 2 4 4 2 3 2 1 4 3 1 2 5 3 1 2 2 6 16 2 1 1 0 1 2 8 4 4 1 1 1 2 3 5 2 1 1 2 1 1 1 1 4 4 2 2 0 1 6 2 1 1 1 1 1 7 7 5 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 2 3 4 23 9 2 1 3 6 3 3 2 6 40 3 4 36 97 21 5 7 3 11 40 45 23 4 5 3 3 1 1 1 3 1 1 3 17 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 0 1 2 2 2 1 9 3 2 20 100 38 25 11 14 8 9 6 1 2 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 3H | 75 74 m 2H | 74 73 m 2H | 71 71 m 1H | 69 69 m 2H | 65 65 d 1H J 37 | 38 38 s 3H | 33 33 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)NC1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1
ir: 9 11 8 11 5 4 4 3 2 4 11 3 4 4 5 4 3 5 2 3 3 2 2 2 10 13 32 38 10 7 6 11 13 13 8 5 4 2 6 7 7 64 37 18 5 3 11 6 2 4 6 4 4 3 12 16 27 8 5 3 3 2 1 1 2 3 2 6 12 2 3 3 2 1 5 6 2 3 4 5 3 7 6 5 3 5 2 9 5 1 2 2 1 1 4 3 3 2 3 2 1 2 4 5 1 7 2 4 1 3 3 5 2 13 11 6 8 11 3 4 3 10 22 8 3 4 5 5 5 7 7 4 5 19 25 7 6 88 3 4 11 24 4 7 100 43 12 36 17 65 7 10 7 6 3 0 2 3 2 8 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 2 2 2 2 2 5 4 5 4 4 8 14 33 8 28 92 49 11 4 7 4 3 4 3 2 2 2 2 2 1 4 4 2 1 3 3 3 15 12 14 80 10 2 1 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 77 76 m 1H | 75 74 m 7H | 54 53 d 1H J 86 | 51 50 dt 1H J 53 86 | 50 49 hept 1H J 57 | 42 41 m 2H | 23 22 dtd 1H J 55 101 154 | 21 19 m 2H | 19 18 m 1H | 12 12 dd 6H J 9 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCC(=O)O)ccc1C
ir: 1 1 2 3 2 8 9 4 2 4 6 10 29 12 11 5 2 7 15 6 24 100 44 15 6 14 2 2 1 1 1 1 0 1 1 1 2 1 1 5 3 2 1 2 1 1 1 1 2 7 4 3 7 33 11 1 1 4 5 2 1 1 2 5 7 4 6 11 42 12 7 3 5 4 2 9 5 7 55 20 2 6 3 0 5 4 2 1 3 5 3 2 2 4 10 11 11 14 25 4 0 3 2 1 1 1 1 1 1 1 1 1 1 2 10 8 11 4 5 4 12 11 3 2 2 4 10 3 3 8 2 5 2 2 2 1 1 1 1 2 4 4 8 43 5 2 4 2 2 16 10 1 2 13 13 5 1 0 1 0 0 2 4 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 2 3 1 1 2 2 4 3 5 2 2 1 4 11 15 12 24 27 17 9 4 4 3 3 3 1 91 52 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dq 1H J 10 81 | 68 67 ddt 1H J 9 17 81 | 66 66 dt 1H J 8 17 | 38 38 s 2H | 29 28 tq 2H J 8 86 | 27 26 m 2H | 22 21 d 3H 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(\CCl)OC
ir: 15 9 19 15 25 21 17 19 0 24 34 52 23 37 20 11 5 9 10 6 4 8 12 9 6 8 8 3 3 9 8 14 12 18 12 7 5 10 11 5 8 12 10 3 12 12 10 10 10 11 6 5 11 11 7 2 5 11 6 0 6 11 9 5 24 24 17 12 11 18 7 3 34 32 50 100 52 25 15 12 8 10 4 3 7 7 4 3 7 7 4 5 19 10 3 4 9 7 4 18 23 13 8 18 14 13 10 8 19 14 8 15 19 19 14 14 10 11 12 17 14 16 4 14 12 11 10 12 24 16 8 11 8 13 8 9 8 5 3 7 8 4 2 11 11 50 96 86 8 10 6 6 6 6 5 8 7 41 44 98 14 2 11 11 6 1 6 9 5 0 4 9 5 1 5 8 4 1 5 8 4 1 5 7 4 2 6 7 4 2 6 7 4 3 6 7 3 3 6 6 3 3 6 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 3 6 6 3 3 6 6 3 3 6 6 3 4 6 6 3 4 6 7 3 5 12 12 6 7 9 15 9 10 13 11 6 10 8 11 71 56 48 54 23 9 13 5 2 6 8 4 3 6 8 4 2 6 7 3 2 6 6 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1 4 7 4 2 5 7 4 2 5 7 4 2 5 6 4 2 5 6 4 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 3 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 5 2 4 7; 1HNMR: 54 53 t 1H J 15 | 44 43 d 2H J 14 | 42 41 q 2H J 60 | 37 37 s 2H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(C(F)(F)F)c2-c2ccccc2)C1
ir: 7 6 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 3 6 3 1 1 1 2 1 1 4 7 2 2 1 1 2 2 2 100 3 2 5 7 3 3 11 2 1 2 20 1 1 2 2 1 1 1 4 3 0 1 2 2 1 1 3 1 1 3 3 1 0 2 6 2 2 1 2 3 8 3 2 1 1 1 1 1 1 4 7 3 1 3 2 1 1 2 5 27 10 13 4 8 3 8 2 1 1 2 2 7 2 3 11 7 12 7 3 4 3 3 4 5 4 3 9 6 3 7 2 4 4 6 3 2 9 3 1 3 13 2 3 4 13 6 4 3 2 2 8 1 3 7 1 1 1 1 1 1 1 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 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 1 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 5 6 6 3 4 2 2 3 3 2 8 37 11 17 38 11 5 2 1 2 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 75 73 m 6H | 45 45 s 2H | 44 43 m 2H | 38 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NN(C(=O)c1ccccc1)c1cc(Cl)ccc1Cl
ir: 1 1 0 1 1 1 0 2 2 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 3 3 2 1 1 8 14 18 15 2 12 7 1 3 3 1 1 1 1 0 1 2 11 5 26 4 9 7 11 10 18 19 6 4 1 1 3 3 5 4 2 2 1 1 1 2 1 2 2 2 1 2 1 2 2 1 3 2 1 1 1 3 6 1 1 1 2 1 1 1 0 1 1 1 0 5 2 1 0 1 1 1 0 1 3 7 2 1 2 3 1 3 2 1 0 1 2 1 8 3 2 1 1 9 10 100 22 29 2 4 8 5 2 3 5 2 4 5 5 4 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 14 12 22 1 2 3 1 1 1 1 1 1 1 5 6 22 23 7 2 1 1 2 1 10 8 17 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 2H | 75 75 m 4H | 74 74 d 1H J 73 | 71 71 dd 1H J 22 73 | 49 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2C(=O)Nc3ccccc3S2(=O)=O)cn1
ir: 3 2 4 3 7 7 4 7 2 7 14 9 10 8 12 8 5 2 2 2 1 3 3 1 1 8 7 5 2 2 4 1 1 5 7 6 35 32 3 4 6 14 26 46 100 16 2 4 2 0 3 4 4 4 16 4 3 2 3 3 4 2 7 6 12 1 1 2 2 6 8 2 2 2 2 6 6 9 4 7 7 10 8 19 26 37 14 3 4 2 4 1 2 2 3 12 2 2 2 3 4 2 3 2 1 1 1 4 2 4 12 4 1 1 2 1 1 1 2 1 2 2 6 22 7 3 3 2 1 2 3 1 1 11 17 8 3 39 80 9 6 1 24 3 3 1 1 2 9 36 40 7 7 7 13 2 3 1 4 4 61 27 11 3 2 0 1 3 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 1 1 1 1 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 3 17 33 18 14 6 3 3 3 2 2 3 2 1 1 1 2 2 1 1 3 2 5 8 3 11 60 26 15 8 8 5 3 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 20 | 80 80 dd 1H J 18 82 | 79 78 dd 1H J 13 89 | 76 75 td 1H J 13 79 | 75 74 dd 1H J 14 80 | 71 70 ddd 1H J 13 75 89 | 68 68 d 1H J 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCCC1=O
ir: 34 46 5 7 7 12 13 55 100 6 0 7 9 4 4 17 26 12 39 41 31 9 9 9 7 4 3 6 7 5 6 6 7 3 5 8 10 10 5 7 7 3 8 12 8 3 5 7 6 3 5 7 5 5 18 31 21 15 21 43 37 5 5 9 6 22 37 19 5 3 18 47 48 14 10 12 5 7 6 8 6 16 31 19 10 9 13 72 38 14 10 8 5 4 6 6 3 4 9 6 20 13 8 10 39 26 11 9 4 11 21 17 4 6 9 10 6 8 22 16 11 32 94 71 20 25 15 8 6 6 6 6 4 5 6 4 4 5 5 4 3 5 6 3 3 6 7 14 62 73 10 7 3 7 5 2 4 6 5 2 5 7 5 3 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 2 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 7 11 8 5 2 8 15 12 8 6 8 5 5 18 79 66 18 23 29 22 8 6 7 5 3 5 6 4 3 4 5 3 3 5 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2; 1HNMR: 39 38 t 2H J 50 | 29 28 s 2H | 25 25 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=Cc1ccc(OC)cc1
ir: 1 1 1 1 1 1 0 1 2 1 1 3 3 4 17 19 31 16 6 6 8 5 4 2 1 0 1 1 1 0 0 1 4 2 3 1 1 1 2 1 1 0 0 0 1 1 0 1 2 1 1 2 4 6 13 77 19 4 5 6 8 6 33 7 2 2 3 3 1 38 3 1 1 1 0 0 2 4 0 1 1 0 0 0 1 1 17 7 2 2 2 4 3 1 1 1 2 1 1 1 1 3 13 5 0 1 3 2 1 7 1 1 1 1 1 1 1 2 2 4 4 4 3 1 2 7 5 5 2 0 1 1 1 0 0 0 1 1 0 2 3 3 3 20 83 12 4 4 3 8 18 22 37 22 4 5 2 1 1 1 1 0 3 27 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 0 1 1 1 2 1 4 3 11 9 8 48 100 43 10 8 4 3 2 2 1 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 75 75 m 2H | 70 69 m 2H | 40 40 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](N(CCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1
ir: 10 6 9 2 3 5 3 8 3 3 2 8 8 9 8 9 6 7 5 3 4 1 2 2 7 27 19 23 13 14 20 5 6 5 5 2 4 5 4 5 28 6 4 6 4 4 3 4 4 7 22 19 8 17 7 6 8 2 2 7 7 18 12 7 17 6 9 4 6 3 2 3 3 4 7 3 25 15 5 4 1 1 3 4 6 24 9 8 7 9 5 25 39 16 8 8 3 12 17 9 4 5 6 10 11 32 14 7 26 11 7 9 3 9 6 9 12 28 32 3 42 39 29 21 9 12 2 7 8 7 3 3 2 3 6 6 3 6 7 13 5 4 26 60 18 7 5 5 3 2 2 2 2 1 1 1 1 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 0 1 0 1 1 1 1 1 0 0 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 4 7 25 18 18 12 12 4 9 8 31 21 36 45 56 15 64 23 100 85 17 2 2 8 8 3 1 1 2 1 0 1 2 0 0 1 2 2 5 4 67 23 5 3 2 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 98 s 1H | 98 97 s 1H | 80 79 s 1H | 73 73 m 2H | 73 72 td 3H J 13 72 | 37 36 tt 1H J 46 73 | 36 35 dt 1H J 63 136 | 35 34 dt 1H J 64 135 | 30 28 m 2H | 19 17 m 2H | 17 17 s 5H | 16 15 m 4H | 15 14 ddt 1H J 45 72 146 | 13 12 m 2H | 9 9 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc2cc(-c3ccnc(Cl)c3C#N)ccc2c1
ir: 5 2 1 3 5 3 1 3 5 4 4 10 10 8 2 3 8 5 2 4 10 21 7 4 4 2 3 4 5 5 2 5 6 3 2 4 3 1 2 4 3 1 3 8 4 2 7 12 5 6 4 5 3 9 14 7 6 1 3 6 6 2 3 5 3 2 16 29 15 11 5 7 5 19 22 7 4 6 9 28 6 4 4 4 2 2 4 6 5 4 10 7 5 8 10 6 1 3 4 3 1 3 12 9 4 19 5 4 2 3 4 4 1 4 7 12 8 32 7 6 2 4 7 8 3 3 5 2 2 3 4 2 2 3 4 5 1 3 3 2 2 3 5 9 19 8 9 12 5 6 4 3 3 6 18 19 13 33 15 2 3 5 3 0 3 5 2 1 3 16 2 0 2 4 2 0 2 4 2 1 2 4 7 0 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 7 9 5 26 100 50 8 9 7 4 3 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 86 86 d 1H J 37 | 83 83 t 1H J 21 | 78 78 dd 1H J 23 92 | 78 77 dd 1H J 22 77 | 77 76 dd 1H J 21 90 | 75 75 d 1H J 37 | 71 71 t 1H J 22 | 71 70 dd 1H J 22 77 | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ncn(Cc2ccc(Cl)cc2)c2cc(-c3ccc(OCc4ccccn4)c(Cl)c3)sc12
ir: 6 6 7 6 12 7 7 10 8 5 3 11 4 14 13 9 6 4 4 4 2 5 4 4 3 6 6 4 3 10 8 15 13 6 5 9 5 5 8 10 4 3 3 3 4 32 8 4 8 5 7 7 9 20 38 18 28 19 19 16 24 21 24 5 4 15 17 10 7 2 3 2 3 4 3 4 4 5 3 5 9 5 4 4 6 11 3 3 15 10 4 6 9 8 26 13 15 12 5 24 17 5 4 3 3 4 3 4 4 19 1 4 4 3 2 4 9 4 3 5 4 12 15 12 8 7 12 5 3 3 2 3 3 2 2 3 4 4 4 5 11 6 11 7 2 16 36 50 27 20 11 0 23 43 3 5 4 2 3 3 3 5 100 11 4 3 4 3 3 2 4 6 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 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 2 3 2 3 3 3 3 2 4 4 3 7 6 5 2 4 4 14 21 21 20 54 50 22 15 12 12 6 11 10 8 5 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 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; 1HNMR: 86 86 dd 1H J 17 42 | 83 83 t 1H J 9 | 79 78 td 1H J 16 74 | 77 77 dd 1H J 21 78 | 76 76 m 2H | 74 73 m 3H | 73 73 m 3H | 71 70 d 1H J 78 | 54 53 q 2H J 9 | 53 53 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C=C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1NC(=O)OCc1ccccc1
ir: 10 6 6 3 2 2 1 1 3 4 5 5 3 2 1 1 2 1 1 2 1 2 2 3 3 5 13 54 53 16 11 10 4 9 3 2 4 4 3 9 21 3 2 2 1 0 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 2 2 1 1 3 0 3 2 1 1 1 0 0 0 1 1 2 3 1 1 2 4 6 2 2 2 1 3 1 1 0 1 1 1 1 2 3 4 1 2 5 1 1 1 2 4 3 3 5 3 8 12 9 9 5 3 1 6 6 5 4 4 2 3 3 11 4 8 5 6 2 3 4 4 2 1 1 1 2 3 7 91 52 100 31 12 12 41 14 5 2 1 1 1 0 1 1 0 1 0 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 1 0 0 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 2 1 1 1 1 1 1 2 2 5 8 3 7 28 26 9 28 6 8 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 10 20 88 35 16 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6H | 68 67 dddt 1H J 9 18 93 170 | 58 57 dd 1H J 18 168 | 51 51 s 2H | 50 50 d 1H J 81 | 45 45 d 1H J 88 | 37 36 m 1H | 36 35 m 1H | 29 28 m 1H | 20 19 dtd 1H J 8 52 135 | 19 18 m 2H | 17 15 m 3H | 15 15 s 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c3c(c2c1)CN(C)CC3
ir: 3 2 12 8 7 8 13 10 4 3 5 3 2 2 2 4 3 3 3 4 1 10 5 4 3 2 17 21 1 3 3 1 1 3 8 7 4 3 2 2 2 12 4 2 2 2 4 2 2 2 2 2 32 40 5 3 2 2 2 3 2 3 7 7 4 6 9 21 5 7 8 2 3 4 2 2 2 6 7 0 6 72 5 3 1 2 17 13 3 3 2 4 3 3 10 4 5 10 7 6 10 2 1 3 10 39 11 8 11 4 3 2 2 2 3 2 2 3 3 3 2 3 7 2 3 2 2 2 2 3 3 2 2 2 2 4 4 2 2 2 2 3 2 2 2 2 3 15 2 2 2 2 3 15 16 100 9 3 1 2 2 1 3 11 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 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 2 1 2 2 2 1 2 2 2 2 2 2 2 2 3 3 3 3 10 8 6 29 55 8 5 3 2 3 2 1 2 2 2 2 2 2 2 2 2 4 3 2 3 3 2 5 12 73 39 29 8 4 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 93 93 s 1H | 71 70 d 1H J 72 | 70 70 dd 1H J 27 73 | 69 69 d 1H J 27 | 39 38 s 3H | 38 38 s 2H | 31 31 m 2H | 27 27 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(c2ccc(-c3nc4nc(-c5ccccc5)cn4cc3-c3ccccc3)cc2)CCC1
ir: 3 3 4 3 3 4 5 4 3 3 4 4 4 4 6 4 5 4 7 4 3 4 4 3 3 4 4 5 10 6 7 5 4 30 5 5 7 7 4 3 16 17 8 13 4 4 3 3 4 5 5 3 35 0 6 8 14 7 5 8 4 8 4 14 14 7 5 7 28 25 7 24 8 4 5 3 4 4 5 3 4 4 3 4 6 7 4 4 4 4 3 3 4 3 3 4 5 4 3 3 4 4 14 4 4 10 4 4 4 5 10 4 3 3 3 6 9 12 4 4 5 4 3 4 4 8 6 7 6 5 10 20 12 11 6 8 5 9 6 5 9 7 10 8 14 8 4 24 6 7 10 7 9 4 4 3 3 4 3 3 3 3 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 4 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 4 3 3 3 4 5 3 6 4 5 3 5 13 16 28 28 6 16 14 5 5 4 4 4 4 4 4 6 19 15 8 10 7 8 7 17 100 20 13 4 4 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 88 s 1H | 83 82 s 1H | 79 78 m 2H | 78 78 m 2H | 77 76 m 2H | 75 74 m 8H | 28 27 s 2H | 21 20 m 4H | 18 17 pd 2H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)c2cc(F)c(Cl)cc2c1
ir: 11 5 0 6 11 6 2 7 11 5 2 12 12 5 3 7 10 15 6 8 12 4 2 7 8 3 3 8 8 4 4 8 8 2 3 9 7 2 4 9 7 2 4 9 7 1 4 9 7 3 5 10 6 0 5 10 5 0 6 11 5 4 10 10 9 8 16 12 7 12 9 13 13 23 19 9 4 3 8 9 4 27 53 13 4 5 14 8 3 3 9 8 4 8 45 9 5 6 9 6 2 4 9 11 27 5 10 6 1 5 11 8 1 6 10 7 5 10 11 5 1 6 9 5 2 21 18 5 2 7 9 4 2 7 8 4 6 7 8 3 6 7 8 3 3 8 8 4 7 10 7 15 4 8 7 2 8 20 8 26 6 10 6 1 5 10 6 0 12 10 5 1 5 10 5 1 6 9 5 2 6 9 4 2 6 9 4 2 7 8 4 2 7 8 3 3 7 8 3 3 7 7 3 3 8 7 3 4 8 7 2 4 8 6 2 4 8 6 2 5 9 6 2 5 9 5 1 5 9 5 1 5 9 5 2 6 9 5 2 6 8 4 2 6 8 4 3 7 8 4 3 7 8 4 3 7 7 3 3 7 7 3 4 8 7 4 7 9 7 3 7 10 6 2 5 9 6 2 5 9 7 3 6 11 7 4 64 100 18 8 7 9 8 4 75 54 8 3 7 8 4 3 6 8 4 4 6 7 4 3 7 7 4 4 7 7 3 4 8 7 3 4 8 9 3 4 8 6 3 4 8 6 2 5 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 3 6 8 5 3 6 7 4 3 6 7 4 3 6 7 4 4 7 7 4 4 7 7 3 4 7 6 3 4 7 6 3 4 7 6 3 5 8 6 3 5 8 5 2 5 8 5 2; 1HNMR: 80 80 s 1H | 79 78 d 1H J 122 | 77 76 dd 1H J 22 35 | 73 73 t 1H J 23 | 67 67 m 1H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNc1ccc2ncc(C(O)c3ccc4ncccc4c3)n2n1
ir: 7 4 8 6 6 20 21 17 20 19 5 10 7 13 11 20 31 21 10 7 5 3 3 2 12 23 28 9 3 11 5 4 6 5 3 6 4 4 3 3 9 2 5 1 2 1 3 9 3 2 1 0 2 2 4 5 32 33 27 33 17 7 5 2 1 2 2 2 5 7 16 9 5 5 3 4 2 1 1 1 1 3 1 2 7 5 13 16 24 15 23 16 16 26 8 7 9 23 5 8 2 2 3 7 6 6 8 3 2 2 6 2 1 4 10 4 3 5 5 9 11 24 29 7 5 3 7 12 5 2 2 2 3 3 1 1 2 15 6 10 3 3 8 12 7 3 17 39 94 72 23 50 42 12 17 49 100 11 2 1 5 17 3 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 2 4 3 2 2 3 3 7 5 16 30 56 35 24 37 34 81 37 8 2 2 1 0 1 1 0 1 2 2 3 4 6 8 7 49 30 47 23 27 3 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 dd 1H J 17 41 | 81 81 dt 1H J 21 85 | 80 80 d 1H J 85 | 79 79 dd 1H J 16 23 | 77 76 d 1H J 90 | 75 74 m 2H | 74 74 dd 1H J 41 83 | 71 71 d 1H J 90 | 65 65 t 1H J 51 | 61 61 m 1H | 45 45 d 1H J 49 | 34 33 dd 2H J 41 51 | 20 19 dtt 1H J 41 66 132 | 10 10 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccc(Cl)c(C=O)c1)C(=O)OC(C)(C)C
ir: 5 5 7 8 22 12 11 12 15 6 21 19 13 4 3 4 4 1 0 2 2 1 0 2 3 1 1 2 2 2 3 3 3 0 2 4 5 3 10 3 2 1 2 10 3 1 1 2 2 2 4 10 4 8 15 25 5 2 5 7 16 31 12 4 1 1 3 3 3 4 2 3 1 0 2 2 1 1 2 3 3 6 3 2 1 1 3 2 0 0 3 5 3 18 13 5 4 2 2 3 2 1 3 4 2 3 1 4 33 20 5 1 0 1 3 3 3 6 7 12 5 9 13 19 28 23 13 12 23 8 10 6 7 22 16 8 13 3 2 1 1 2 2 1 2 2 6 17 1 3 23 100 7 5 3 1 13 26 3 1 1 3 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 3 5 3 1 1 2 3 1 1 2 2 6 3 7 24 8 7 36 37 9 4 3 2 0 2 2 1 0 1 2 1 0 1 2 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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; 1HNMR: 78 78 m 1H | 75 75 d 1H J 84 | 74 74 ddt 1H J 9 20 84 | 45 45 d 2H J 9 | 30 30 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(C)O)s1
ir: 4 5 3 4 4 4 3 3 4 3 3 4 5 6 6 4 4 3 3 3 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 6 6 4 3 3 4 5 4 3 4 4 4 4 5 5 4 3 6 3 4 3 3 4 5 7 11 6 6 8 12 9 6 4 5 7 8 8 4 4 4 3 4 3 4 3 3 3 3 3 4 4 3 4 4 4 5 4 6 4 4 5 5 4 3 4 5 6 4 4 4 4 6 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 3 3 3 5 4 3 3 3 3 3 3 4 3 3 3 4 3 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 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 5 5 6 12 9 7 8 7 6 5 5 5 9 4 13 10 4 0 11 100 26 8 3 2 4 4 3 3 4 4 4 4 5 4 4 6 7 5 5 4 5 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 69 69 m 1H | 68 68 dq 1H J 8 60 | 53 53 m 1H | 32 32 d 1H J 46 | 24 24 d 3H J 7 | 17 16 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(C#N)CC1CC(C)C
ir: 8 7 12 5 6 14 14 29 16 13 41 53 22 8 7 26 9 14 7 6 6 5 4 10 26 18 6 5 4 4 3 9 5 4 4 5 5 4 5 6 4 4 5 14 6 10 18 13 17 19 4 8 7 6 9 6 5 4 13 9 7 10 12 4 4 6 11 4 4 4 4 4 4 4 5 27 6 4 5 6 6 4 4 4 4 11 16 34 6 4 5 7 7 4 6 5 3 3 7 20 100 17 4 5 4 5 4 5 9 17 11 6 9 7 4 5 6 8 27 23 14 19 17 25 33 28 23 9 27 35 6 7 4 5 5 3 4 4 5 6 11 5 6 6 55 81 11 7 6 8 9 7 7 4 4 4 4 5 6 15 5 4 4 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 4 3 0 19 1 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 5 8 6 5 4 5 7 7 4 6 10 12 4 49 11 53 15 21 12 10 12 20 15 7 7 5 5 4 3 4 4 4 3 4 6 4 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 38 37 s 2H | 24 23 tt 1H J 44 71 | 19 19 dd 1H J 44 71 | 17 16 m 2H | 16 15 dt 1H J 67 126 | 14 13 dt 1H J 69 128 | 10 9 d 3H J 64 | 9 8 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1
ir: 10 7 15 17 46 12 12 10 8 11 50 11 9 3 3 2 5 3 2 1 2 1 1 2 1 2 8 11 8 2 4 3 3 25 16 11 4 4 4 8 4 3 1 2 1 1 2 2 1 2 3 4 6 2 3 4 2 1 5 2 6 6 5 3 3 5 3 2 4 5 2 1 1 3 2 2 2 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 2 2 1 3 2 3 4 2 1 2 3 3 3 2 2 4 3 9 5 11 6 8 12 33 5 30 24 22 43 20 7 14 4 4 3 9 4 9 14 22 3 2 5 3 5 3 21 27 13 6 17 11 100 12 17 6 3 3 11 42 6 2 2 11 6 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 2 3 3 2 1 2 4 3 3 5 1 7 6 7 21 28 10 28 16 3 1 3 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 61 60 tp 1H J 9 75 | 59 59 dtd 1H J 18 35 86 | 42 41 ddt 1H J 10 35 141 | 41 40 ddd 1H J 9 51 110 | 40 39 ddt 1H J 10 35 139 | 38 37 ddd 1H J 9 51 110 | 37 37 s 3H | 36 35 ddddd 1H J 10 19 40 51 79 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(O)cc1
ir: 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 0 1 1 1 1 3 2 1 1 1 0 0 0 1 2 4 0 0 0 1 1 2 4 3 1 2 4 2 0 0 1 1 1 3 13 5 4 2 1 1 1 2 1 1 2 1 1 5 0 1 3 1 1 1 1 1 2 2 8 17 0 4 8 3 4 6 20 40 7 1 1 1 2 2 1 1 1 0 0 1 1 0 1 2 2 4 1 1 2 3 2 1 1 0 1 1 1 4 4 1 1 1 3 2 2 1 1 1 1 1 0 2 3 1 1 2 3 1 1 1 1 1 0 2 2 12 13 2 1 7 5 2 1 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 2 2 2 1 4 8 2 3 6 6 5 3 1 2 1 5 100 60 5 1 1 1 2 2 1 1 1 0 0 1 1 0 0 0 1 1 1 0 1 0 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 69 69 m 3H | 52 51 d 2H J 61 | 41 41 t 1H J 61 | 33 32 t 2H J 90 | 32 31 dp 2H J 68 137 | 18 17 m 2H | 14 13 m 17H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCSCC1Cc1ccccc1Br
ir: 4 1 2 2 5 6 15 7 15 18 7 9 6 4 3 5 12 4 2 3 2 5 7 1 1 2 3 1 3 2 3 7 14 12 7 15 2 5 11 2 7 52 100 97 15 9 6 7 5 5 2 3 1 0 3 4 3 11 6 4 2 0 2 1 4 2 3 4 8 6 1 2 1 5 6 3 4 0 1 4 1 1 2 2 7 5 4 5 6 11 20 12 5 2 2 2 2 3 6 10 7 7 12 8 10 7 4 3 9 5 8 7 6 5 7 14 8 9 12 18 8 8 10 18 25 7 9 5 2 5 7 6 8 4 6 16 22 69 10 4 11 38 25 22 24 20 7 32 22 9 2 2 2 2 1 0 1 6 3 1 1 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 1 1 0 0 0 0 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 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 2 1 1 2 3 3 5 6 12 6 12 12 9 10 15 9 11 26 22 62 81 54 21 4 3 3 2 1 1 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; 1HNMR: 75 75 dd 1H J 11 79 | 73 72 m 2H | 71 71 ddd 1H J 23 69 79 | 32 31 ddd 1H J 7 67 152 | 31 30 tt 1H J 50 68 | 30 29 m 1H | 30 28 m 3H | 28 27 m 2H | 26 25 ddd 1H J 42 62 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(OC)ccc1Nc1ccc(O)cc1
ir: 0 11 8 6 4 4 8 6 3 18 19 18 11 5 5 3 2 2 1 2 5 4 3 4 3 5 6 6 12 14 20 11 8 6 3 4 3 6 6 6 16 30 5 4 4 4 5 4 3 2 3 4 5 4 17 69 97 61 7 7 5 5 3 5 4 5 7 14 11 18 3 2 5 3 4 4 5 3 6 28 61 18 12 2 5 4 3 6 15 6 14 6 2 3 2 2 5 3 1 1 2 2 2 2 3 11 8 7 15 14 5 3 18 10 8 11 4 3 3 3 5 5 3 3 5 4 5 3 3 3 2 1 1 1 1 1 2 4 23 14 2 2 2 1 1 5 4 6 8 23 7 30 16 32 70 19 26 18 4 3 2 1 2 9 10 20 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 2 2 1 2 2 1 1 2 2 3 8 10 8 21 29 28 13 6 2 5 3 8 20 10 3 2 2 1 1 1 2 2 2 4 10 12 8 8 47 100 26 5 4 2 3 3 2 2 3 3 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; 1HNMR: 77 77 s 1H | 74 74 d 1H J 27 | 74 73 d 1H J 84 | 71 70 m 2H | 70 69 dd 1H J 26 84 | 69 68 m 2H | 61 61 s 1H | 43 43 q 2H J 64 | 38 38 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CCCN(CCON=C(Cc2ccccc2)Cc2ccccc2)C1
ir: 15 9 11 12 6 8 9 12 4 6 4 5 4 3 5 5 4 12 1 5 5 8 5 7 4 4 3 4 3 5 11 30 12 26 5 4 4 8 11 11 60 65 5 3 3 5 7 3 2 2 3 6 9 2 3 2 4 2 3 3 3 3 2 2 3 3 3 3 11 10 6 6 3 3 6 11 7 5 7 3 3 6 12 23 24 1 17 7 9 26 5 4 4 4 7 7 3 11 19 7 11 22 8 5 5 7 5 7 6 4 17 16 19 7 9 8 8 5 7 4 6 4 11 11 10 3 2 4 5 3 1 10 12 6 16 76 10 10 6 4 4 7 39 67 60 18 43 22 4 4 4 11 8 4 3 1 1 2 2 9 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 1 2 3 2 2 4 5 7 6 5 9 6 4 10 44 36 38 41 100 45 27 11 4 3 3 7 4 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: 73 73 m 4H | 73 72 m 6H | 42 41 m 4H | 36 36 m 4H | 30 30 dd 1H J 38 115 | 29 28 m 2H | 28 27 dd 1H J 65 115 | 27 26 m 3H | 19 18 dddd 1H J 54 63 91 130 | 18 17 ddtd 1H J 39 63 90 127 | 17 15 m 2H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H](C)C(=O)O
ir: 3 2 3 1 2 3 4 1 2 1 1 6 3 4 2 4 4 3 5 3 20 33 45 5 6 7 5 2 2 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 0 1 2 1 1 1 1 1 2 5 0 1 0 1 1 1 2 4 3 1 4 3 17 17 13 2 1 3 1 1 1 1 2 1 1 0 0 1 1 1 2 4 3 2 1 1 2 1 1 1 2 2 3 14 2 2 1 1 2 1 2 4 4 5 3 10 8 7 4 0 2 1 2 2 2 1 3 2 4 2 2 2 1 1 3 3 1 6 100 8 6 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 3 1 1 2 3 6 4 2 2 12 1 1 1 0 1 0 0 0 1 0 0 15 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 37 36 s 3H | 30 29 h 1H J 78 | 27 27 dd 1H J 81 164 | 25 24 dd 1H J 81 163 | 13 12 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(C#N)cc2)CC1
ir: 12 7 4 7 10 7 4 10 10 7 4 8 10 6 4 8 9 7 6 9 9 6 5 8 11 9 12 11 10 7 7 11 10 7 9 10 16 26 26 10 8 5 7 10 9 6 7 9 8 4 6 10 7 5 11 18 17 5 12 12 8 4 11 12 11 8 11 13 10 13 13 9 7 5 8 12 7 6 9 23 13 12 13 27 15 16 10 15 12 12 9 9 6 6 10 11 9 12 15 18 15 16 10 8 5 7 9 7 5 7 10 7 4 6 10 7 5 7 10 8 5 8 9 7 5 8 12 9 6 9 10 6 5 8 10 7 5 8 8 6 6 8 9 6 7 7 9 79 100 16 10 7 9 14 10 5 7 9 8 5 7 21 12 4 6 10 7 4 6 10 7 4 7 10 7 4 7 9 6 4 7 9 7 5 7 9 6 5 8 9 6 5 8 8 5 5 8 8 5 5 8 8 5 5 8 8 5 6 8 8 5 6 9 7 5 6 9 7 4 6 9 7 4 6 9 7 4 6 9 7 4 7 9 6 4 7 9 6 4 7 9 6 5 7 8 6 5 7 8 6 5 8 8 5 5 8 8 5 5 8 8 5 6 8 8 5 6 9 7 4 6 9 7 5 7 9 8 4 7 10 8 4 7 14 11 0 61 13 65 15 10 8 8 7 8 8 7 6 7 8 6 5 7 8 6 6 7 8 6 6 7 8 6 6 8 8 6 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 7 8 7 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 6 7 7 6 6 8 7 6 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5; 1HNMR: 75 75 m 2H | 69 69 m 2H | 33 32 m 4H | 32 32 dt 2H J 49 114 | 29 28 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-n2nc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1F
ir: 5 2 2 3 6 5 4 8 1 6 8 5 9 7 1 7 3 6 2 1 1 1 1 1 1 1 0 1 1 0 0 1 4 4 2 3 9 1 2 2 5 10 1 1 1 0 0 1 1 0 2 1 2 11 17 100 8 12 3 1 1 0 1 1 5 44 6 4 2 1 1 6 2 5 4 6 2 1 1 1 1 1 6 8 29 31 11 10 10 5 7 2 1 1 0 0 3 2 3 6 4 4 5 4 15 19 10 5 0 1 1 1 1 2 2 1 0 1 3 6 5 6 12 22 8 2 3 1 2 2 2 3 4 1 3 7 4 2 9 3 1 0 4 2 2 4 7 30 7 6 5 0 2 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 4 3 1 0 1 0 1 1 1 0 1 2 7 7 8 11 18 54 29 15 7 4 2 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 78 78 m 2H | 76 75 m 1H | 75 75 ddd 1H J 22 36 84 | 72 71 dd 1H J 84 102 | 70 70 s 1H | 33 32 s 3H | 23 23 d 3H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(Oc2ccc(C3(CN)CCOCC3)cc2)CC1
ir: 10 2 1 2 1 4 79 14 7 4 4 1 2 1 1 11 2 11 8 5 1 1 2 1 0 1 1 2 1 2 1 1 1 1 9 3 1 5 5 1 2 4 7 7 3 5 7 12 5 8 23 8 13 21 59 29 20 28 18 37 11 19 11 20 24 6 5 5 4 6 21 21 21 40 24 87 22 35 9 4 100 17 9 24 14 5 4 8 7 9 9 11 7 5 3 5 4 7 11 23 20 5 2 3 3 2 8 6 9 9 5 2 5 20 9 6 9 2 5 5 7 19 13 6 20 15 16 16 26 27 26 37 64 28 24 13 13 10 4 3 1 1 1 2 1 2 2 2 4 13 6 19 6 5 16 1 1 1 0 1 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 3 2 2 3 6 3 6 6 6 1 4 2 9 6 34 11 10 35 27 10 8 1 2 1 3 3 3 3 4 4 11 23 70 25 18 8 7 4 11 34 45 7 4 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; 1HNMR: 72 71 m 2H | 69 69 m 2H | 43 43 p 1H J 48 | 38 37 ddd 2H J 37 63 114 | 35 35 ddd 2H J 37 64 114 | 32 31 t 2H J 66 | 29 29 dd 1H J 47 74 | 29 28 m 2H | 26 25 ddd 2H J 51 79 119 | 22 21 m 4H | 20 19 ddd 2H J 37 64 148 | 19 18 ddt 2H J 49 79 128 | 14 14 t 2H J 66 | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl
ir: 5 2 6 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 2 8 4 6 4 2 1 0 2 2 2 1 2 3 1 1 1 1 1 1 1 2 2 1 2 2 3 1 1 0 1 1 2 0 3 2 1 1 0 0 0 1 0 0 0 0 1 4 1 1 1 0 0 1 0 1 5 1 0 0 0 0 0 1 6 2 1 1 1 2 5 1 2 5 2 1 1 1 1 5 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 1 1 1 1 2 2 2 1 0 1 0 0 0 1 0 0 1 0 0 0 1 1 2 0 4 7 11 8 13 9 4 1 3 4 1 1 1 10 17 13 2 1 1 13 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 2 2 1 1 1 2 1 2 1 3 3 1 0 1 0 0 0 0 0 0 0 0 1 1 15 17 3 5 6 4 1 3 3 2 3 3 23 100 4 2 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; 1HNMR: 79 79 t 1H J 54 | 72 72 d 1H J 79 | 70 70 ddt 1H J 9 20 80 | 68 68 dt 1H J 9 20 | 42 42 dt 2H J 9 53 | 42 41 s 2H | 20 19 m 2H | 17 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=C(c1ccc(O)cc1)c1ccc(CCCNC)nc1)c1ccccc1
ir: 1 3 4 5 9 5 8 4 1 3 1 3 3 2 1 2 2 1 1 1 1 1 1 2 1 1 4 5 2 3 11 9 8 5 7 12 14 9 8 3 41 14 29 40 20 11 14 2 7 1 5 5 14 17 23 28 43 16 9 3 4 5 6 2 2 2 4 4 13 25 5 1 2 3 5 0 6 8 22 29 100 28 4 4 3 2 3 7 25 13 8 6 2 2 1 2 4 1 0 1 2 2 1 1 2 2 4 7 4 13 52 24 27 11 21 4 10 7 8 10 11 9 8 7 7 3 10 3 5 6 5 13 12 17 28 22 4 10 6 5 3 5 17 9 3 8 11 6 11 24 29 10 3 4 4 2 1 2 1 4 3 3 5 0 0 1 1 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 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 4 2 2 3 3 2 1 2 2 1 3 3 4 3 5 9 35 25 80 64 17 12 6 5 0 9 100 28 6 3 1 2 3 1 2 7 10 25 48 21 11 19 3 1 3 2 1 1 1 1 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 20 | 77 76 dd 1H J 18 82 | 75 74 m 2H | 74 73 m 5H | 72 72 dt 1H J 10 82 | 69 69 m 3H | 29 28 td 2H J 9 73 | 28 27 td 2H J 44 59 | 25 24 m 4H | 24 24 d 1H J 72 | 19 18 tt 2H J 59 72 | 18 18 h 1H J 47 | 11 11 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(Cl)c(C(C)(C)O)c(OC)n1
ir: 1 4 3 3 2 1 2 1 2 1 1 1 1 1 1 2 1 2 3 2 4 6 6 2 2 1 1 1 1 2 1 1 1 1 1 1 2 3 2 5 9 68 6 2 2 1 2 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 2 1 1 1 1 3 1 1 6 8 2 2 2 4 2 4 8 6 24 15 6 2 2 2 3 1 2 1 1 1 1 1 3 3 4 4 3 2 4 2 3 1 2 2 1 3 1 1 1 1 1 1 0 1 2 1 1 3 3 3 3 7 10 3 2 2 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 45 0 1 1 2 36 100 4 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 3 6 6 5 1 1 1 1 1 2 1 1 17 31 7 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: 45 45 s 1H | 40 40 s 3H | 40 39 s 3H | 19 19 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)C1Cc2ccccc2N1C(=O)OCc1ccccc1
ir: 4 16 6 2 4 4 11 3 6 2 11 3 2 1 2 6 3 0 1 2 3 2 1 0 1 2 0 1 3 6 6 4 5 4 6 22 8 4 11 19 51 26 33 13 3 1 2 2 1 0 0 0 0 0 0 1 0 1 1 1 1 3 2 2 1 3 3 6 4 5 4 3 2 1 3 2 1 2 5 2 2 1 1 1 1 1 1 4 4 9 3 1 1 1 2 1 3 8 5 3 5 1 1 1 2 1 5 11 8 2 1 3 18 6 2 1 1 0 1 1 1 3 3 11 6 4 8 3 26 24 12 7 4 2 4 9 5 5 7 6 2 23 100 31 21 8 4 2 1 3 69 19 3 1 7 3 1 0 0 1 5 9 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 3 2 1 2 3 2 1 3 4 17 13 17 41 47 24 14 2 5 1 1 1 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dq 2H J 17 83 | 79 78 ddd 1H J 15 76 90 | 76 75 m 1H | 75 74 m 2H | 74 73 m 5H | 73 73 m 1H | 73 72 m 2H | 53 52 s 2H | 51 50 t 1H J 65 | 33 33 ddd 1H J 8 65 141 | 32 31 ddd 1H J 8 65 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc([C@H](C)C(=O)OCCNC(=O)OC(C)(C)C)ccc2c1
ir: 12 8 4 4 5 2 2 16 12 5 10 23 2 3 7 7 5 3 1 2 2 2 2 2 3 3 7 10 70 100 40 30 28 17 8 8 3 4 4 6 2 2 2 5 2 3 5 2 1 0 2 3 2 2 23 11 4 2 1 1 2 3 11 7 2 6 12 30 53 13 5 2 4 5 4 3 1 1 2 3 1 0 1 1 1 1 2 5 3 8 7 5 25 9 3 2 10 14 6 5 6 2 6 15 24 9 2 2 1 5 8 4 3 25 18 13 1 13 8 14 30 13 14 9 10 16 13 12 17 18 17 8 4 2 1 2 2 2 2 2 4 10 9 27 98 54 30 7 8 72 11 5 3 4 4 4 11 20 17 3 2 1 1 1 1 1 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 2 1 1 1 1 1 1 1 2 3 3 4 4 3 3 6 3 3 3 3 5 5 4 6 19 46 17 26 59 36 12 5 2 3 2 1 1 1 2 5 3 2 2 1 1 1 1 1 1 6 14 17 55 39 56 34 13 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 m 3H | 74 74 m 1H | 72 71 t 1H J 25 | 71 71 dd 1H J 24 89 | 53 53 t 1H J 52 | 44 43 m 2H | 39 38 m 4H | 35 35 dt 2H J 46 53 | 16 15 d 3H J 75 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1oc2ccc(OC)cc2c1C
ir: 4 5 12 17 11 6 28 12 8 7 7 4 3 1 3 2 1 2 3 2 2 4 3 1 1 2 2 1 8 7 2 1 1 1 2 9 1 1 2 1 1 1 1 1 1 1 1 3 2 1 1 1 2 5 58 17 3 1 2 2 1 1 2 4 5 4 11 25 3 9 2 3 3 4 5 27 10 2 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 10 18 6 2 1 1 1 1 1 1 1 1 2 2 3 9 5 1 2 3 6 5 3 4 6 7 23 6 3 2 3 4 2 6 4 6 2 2 1 2 4 2 1 1 1 1 1 1 1 7 2 1 1 1 5 11 16 34 100 7 0 3 3 2 0 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 1 2 3 2 2 4 6 24 8 13 34 21 6 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 d 1H J 85 | 73 72 d 1H J 27 | 70 69 dd 1H J 27 84 | 44 43 q 2H J 64 | 38 38 s 3H | 26 26 s 3H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(=O)[C@](C)(N)CO)CC4)no2)cc1C#N
ir: 0 5 6 3 2 4 6 5 12 5 7 19 4 16 17 30 63 18 26 18 26 15 14 13 5 8 11 5 8 10 6 5 2 10 5 1 4 3 4 2 19 7 2 2 3 7 3 1 2 5 4 0 3 4 22 17 12 8 4 2 2 3 2 4 4 3 7 8 21 8 4 17 14 13 26 19 6 7 3 6 9 11 7 8 36 26 42 33 51 22 17 12 11 16 15 7 11 6 4 4 15 3 4 9 13 4 2 2 2 2 3 2 3 7 5 3 4 16 4 7 5 5 4 5 6 11 9 14 47 19 12 12 11 13 4 10 6 6 20 72 36 4 2 7 4 2 7 12 3 3 4 14 13 2 3 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 3 2 2 4 3 0 8 10 18 12 26 67 17 14 4 3 5 11 100 99 17 10 3 1 8 8 14 8 15 19 10 8 10 14 7 2 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 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 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 d 1H J 22 | 79 79 dd 1H J 22 92 | 77 76 dd 1H J 22 90 | 75 75 dt 1H J 9 19 | 72 72 m 2H | 47 46 hept 1H J 57 | 40 40 dd 1H J 61 120 | 39 38 dt 1H J 58 124 | 38 37 dd 1H J 61 120 | 37 37 t 1H J 61 | 37 36 dt 1H J 58 125 | 35 35 dtd 2H J 31 58 124 | 34 34 s 2H | 30 29 dtd 4H J 8 58 69 | 14 14 s 2H | 14 13 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=Cc2cc(Br)ccc2N(c2ccccc2)CC1
ir: 4 9 9 7 3 4 4 3 3 3 3 3 5 3 4 4 5 3 5 3 3 4 11 3 3 4 3 4 4 4 5 8 4 3 3 3 3 3 3 4 5 15 12 4 3 4 3 2 3 3 3 2 3 4 16 8 4 5 3 3 4 3 3 3 3 4 3 3 6 4 8 7 4 3 5 4 5 3 5 6 3 6 3 3 3 4 8 3 3 3 4 3 3 4 3 3 3 3 3 5 4 4 3 3 3 3 3 3 5 4 4 6 3 4 3 4 4 4 4 4 7 8 7 4 4 3 4 4 3 5 7 6 4 4 4 7 4 4 3 3 3 4 7 5 5 6 8 4 100 0 12 4 8 4 3 3 3 3 4 4 3 6 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 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 4 11 7 15 50 14 4 6 3 3 3 3 3 3 3 3 3 3 3 3 3 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 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3; 1HNMR: 76 76 d 1H J 10 | 75 75 d 1H J 24 | 75 74 dd 1H J 26 82 | 73 72 m 2H | 71 70 m 1H | 70 69 m 2H | 70 69 d 1H J 83 | 41 40 t 2H J 65 | 37 37 s 2H | 26 26 td 2H J 9 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(Oc2cnc(-c3cccc(Cl)c3)nc2)CC1
ir: 2 1 0 1 3 1 1 1 2 3 5 3 3 1 1 2 2 0 1 0 0 0 0 1 1 1 2 6 13 4 1 2 2 1 1 1 3 39 28 7 1 1 1 1 4 2 2 7 4 1 2 5 5 6 1 0 3 2 1 0 0 0 0 1 1 1 0 2 3 5 1 1 0 2 3 2 1 1 1 3 2 1 1 0 0 0 1 4 3 4 0 2 1 0 1 1 0 2 3 3 3 3 1 1 1 1 1 2 2 2 5 1 2 1 1 2 2 3 3 5 7 6 2 7 6 5 6 21 13 11 2 6 6 1 1 1 1 1 1 12 1 2 5 6 100 81 9 2 0 1 2 2 4 2 1 1 0 1 1 20 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 3 3 1 1 1 1 1 2 5 6 8 15 40 9 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 2H | 79 78 m 1H | 78 77 t 1H J 21 | 74 73 dd 1H J 79 93 | 74 73 dt 1H J 16 78 | 48 47 p 1H J 50 | 26 25 ddd 2H J 59 85 147 | 25 24 m 2H | 23 21 dddd 2H J 49 59 86 136 | 20 19 dddd 2H J 49 59 86 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12
ir: 6 5 7 6 4 7 11 7 4 9 6 5 3 4 9 3 3 7 29 82 9 11 9 6 13 18 5 4 6 4 4 21 4 4 4 4 7 4 10 40 8 6 4 14 46 5 4 5 5 4 4 5 7 14 20 5 6 5 4 3 4 6 6 54 6 5 4 4 6 11 9 4 5 4 4 6 5 4 4 4 6 4 4 5 21 12 8 5 4 4 4 4 4 9 7 5 4 5 9 7 6 4 5 4 6 6 8 6 100 11 100 13 5 5 20 6 5 5 5 6 4 5 7 5 58 43 0 7 17 11 4 5 16 10 5 5 7 6 4 6 14 53 3 10 34 8 6 6 28 13 32 23 59 5 4 4 6 7 5 9 4 4 100 6 4 2 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 3 4 4 3 4 4 4 4 4 7 6 6 6 12 52 78 63 10 9 9 6 6 4 4 4 4 4 3 5 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4; 1HNMR: 87 87 dd 1H J 20 38 | 84 84 m 1H | 81 80 d 1H J 81 | 80 80 dd 1H J 21 82 | 80 80 m 1H | 76 76 dd 1H J 38 82 | 75 75 td 1H J 12 77 | 74 74 td 1H J 13 77 | 74 73 m 1H | 27 26 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1ccc(S(=O)(=O)N2C=CSC(C)(C)[C@@H]2C(=O)OC)cc1
ir: 1 1 13 3 18 18 4 5 3 9 11 13 11 13 35 24 4 8 2 2 1 2 3 25 4 2 3 3 2 9 13 3 2 2 3 6 1 1 1 3 14 29 7 10 4 2 6 2 3 3 2 2 2 4 23 59 4 2 1 2 3 5 12 6 17 10 22 9 6 6 1 6 4 2 4 4 4 15 4 3 6 25 33 16 100 4 4 3 4 3 3 4 4 28 2 2 5 14 17 2 3 4 3 2 4 6 17 13 2 4 1 2 1 1 1 1 2 2 4 8 16 17 8 2 11 13 1 6 3 2 2 2 3 1 3 6 17 3 1 2 2 0 0 3 4 4 26 46 9 25 4 2 10 3 2 1 1 2 2 2 2 9 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 3 5 5 13 20 9 43 86 20 13 5 5 3 2 2 2 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 m 2H | 70 70 m 2H | 67 66 dd 1H J 18 86 | 63 62 d 1H J 88 | 48 47 m 3H | 37 37 s 3H | 19 18 t 3H J 25 | 15 15 s 3H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nccc(NC2CCC(=NOCc3ccccc3)CC2)c1OC
ir: 13 7 6 5 6 5 8 13 9 18 8 8 12 22 22 6 4 25 30 12 10 19 20 7 5 3 8 5 5 17 7 9 5 7 7 15 5 13 21 9 40 9 6 3 7 9 9 60 8 5 5 7 5 6 2 3 7 4 10 2 1 2 3 21 5 4 9 4 8 4 5 4 6 7 6 4 4 4 7 2 6 8 2 1 2 2 1 1 3 9 2 1 4 5 2 5 6 6 16 11 15 6 1 3 1 4 8 8 48 13 3 2 7 6 4 6 6 4 15 15 7 9 23 9 5 15 8 9 12 10 11 6 16 4 15 27 33 46 1 3 4 4 16 38 14 4 9 50 22 21 12 10 100 38 5 1 1 3 9 86 50 5 4 3 1 1 1 1 1 0 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 2 3 3 6 5 3 1 7 7 8 12 24 9 30 71 25 28 14 3 2 1 2 2 2 1 1 1 2 2 2 2 3 3 6 6 8 6 29 53 76 64 55 8 14 3 5 3 2 3 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 82 81 d 1H J 44 | 74 73 m 4H | 73 73 m 1H | 66 66 d 1H J 42 | 62 61 d 1H J 75 | 51 50 t 2H J 8 | 46 46 s 2H | 39 38 s 2H | 36 35 dq 1H J 43 77 | 34 34 s 2H | 25 24 m 4H | 19 18 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(F)ccc2[nH]c(-c3cc(OCCCCC4CCN(C)CC4)ncc3Cl)nc12
ir: 7 12 8 6 5 6 8 6 5 5 5 6 6 5 7 10 6 15 7 7 6 8 10 6 4 14 32 47 55 46 9 7 11 6 12 7 7 13 10 7 7 6 5 5 6 9 10 5 5 6 5 4 6 8 18 10 10 8 7 6 7 6 4 5 7 9 15 33 18 15 9 9 6 6 5 15 16 6 54 9 100 7 5 5 5 4 9 8 10 54 7 6 6 7 15 9 8 19 16 10 9 6 5 6 7 10 16 42 17 10 12 11 11 9 5 6 6 6 6 7 12 9 6 9 5 6 11 7 7 9 14 12 16 8 8 58 13 19 96 34 11 10 7 11 32 49 8 7 8 13 70 45 35 11 6 0 15 5 5 8 20 20 13 8 5 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 6 6 8 7 8 6 7 6 8 7 11 10 16 13 26 87 23 9 8 5 7 8 5 3 5 6 5 4 5 5 4 4 6 6 5 9 6 7 9 13 21 59 51 35 13 7 7 5 5 5 6 5 4 4 5 4 4 4 5 5 4 4 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5; 1HNMR: 97 97 s 1H | 83 83 s 1H | 75 75 dd 1H J 47 78 | 74 74 s 1H | 72 71 dd 1H J 78 102 | 43 42 t 2H J 67 | 27 25 m 7H | 23 22 s 2H | 18 17 m 4H | 16 13 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2N=C3c4ccc(C(=O)O)cc4OCC3C2C(C)C)ccc1C#N
ir: 1 2 2 3 3 2 5 3 2 2 3 2 6 5 2 13 4 3 1 6 15 83 100 2 4 7 6 1 1 5 4 1 1 5 6 1 2 4 4 2 2 4 3 2 1 3 2 0 1 3 2 1 2 5 8 27 11 7 3 0 3 4 2 1 3 6 3 4 15 10 7 7 3 4 5 3 10 12 21 6 7 34 1 4 3 3 4 12 6 5 2 1 3 3 0 2 4 3 1 1 4 6 4 3 4 2 3 2 5 4 1 3 9 7 3 16 2 12 0 3 5 4 1 16 12 2 2 4 3 2 1 4 3 2 1 4 7 2 6 7 3 2 5 4 3 75 3 5 2 4 8 5 5 2 9 4 2 1 1 2 2 1 3 6 1 0 1 2 1 0 1 3 1 0 1 3 1 0 2 3 1 0 29 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 3 3 2 4 4 4 9 9 12 17 25 11 18 5 2 3 3 2 2 10 45 4 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 78 d 2H J 9 | 76 75 d 1H J 72 | 75 75 t 1H J 10 | 72 72 dd 1H J 21 72 | 72 71 m 1H | 45 44 dd 1H J 30 103 | 42 41 dd 1H J 29 103 | 39 38 m 2H | 24 24 s 3H | 20 20 dq 1H J 65 129 | 10 9 dd 3H J 14 65 | 9 9 dd 3H J 14 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C\c1ccc(OC)cc1
ir: 9 7 5 7 6 8 5 9 9 8 8 7 7 6 4 5 5 5 5 9 10 10 5 5 5 4 5 6 11 12 5 8 8 6 20 10 8 9 9 9 5 7 6 9 10 27 18 13 9 4 8 8 31 22 32 32 54 8 8 11 26 17 22 18 11 5 7 7 12 18 7 7 6 14 9 7 4 4 5 5 4 4 5 5 6 8 12 10 7 6 7 7 4 6 10 16 10 4 7 7 5 7 11 6 2 8 24 24 16 7 6 6 5 12 11 5 5 5 11 7 4 6 5 6 7 9 11 9 6 10 5 4 5 5 5 5 17 21 10 6 5 6 7 4 7 11 80 64 35 22 7 9 17 9 6 6 8 20 10 4 4 5 4 8 7 5 4 3 3 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 5 5 4 4 4 4 4 5 6 5 4 5 9 9 28 19 51 93 100 63 0 9 15 7 3 5 6 4 3 5 6 4 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3; 1HNMR: 76 75 m 2H | 70 69 m 3H | 61 60 d 1H J 128 | 42 41 q 2H J 62 | 38 38 s 2H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1ccc(-c2csnn2)cc1
ir: 1 2 5 8 2 2 2 2 2 2 2 2 2 2 3 2 1 2 2 1 1 4 7 38 8 4 2 2 3 3 2 2 2 2 6 2 2 3 3 0 4 11 51 6 16 11 2 3 2 2 5 4 3 1 2 2 2 2 2 2 13 12 5 3 10 33 6 6 4 6 44 2 1 2 5 3 2 1 2 3 1 1 2 3 3 4 6 4 2 2 2 3 2 3 3 2 1 10 26 1 4 2 1 2 2 2 2 2 2 2 2 2 2 2 4 5 2 2 2 2 9 3 2 2 1 2 3 8 2 41 41 5 4 1 1 18 6 2 1 4 36 30 3 2 3 3 2 4 7 3 2 2 2 4 2 4 2 3 5 2 2 2 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 4 6 10 15 100 33 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 95 95 s 1H | 80 80 m 2H | 79 79 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(NCCC2CC2)nc2c1ncn2C1CCCCO1
ir: 2 3 3 3 4 2 2 5 3 3 3 2 3 4 1 2 1 1 1 2 2 3 5 7 20 9 3 3 2 1 1 2 2 1 3 2 1 1 1 1 4 6 18 16 7 9 8 3 3 1 1 1 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 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 4 6 2 0 1 2 3 4 6 9 4 2 2 2 1 1 1 1 1 2 3 3 2 2 5 2 1 2 1 2 1 0 2 4 5 1 2 2 2 11 10 3 3 5 8 7 9 1 2 1 2 3 28 39 12 2 7 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 11 2 1 1 1 1 3 9 7 1 4 11 100 9 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 73 72 s 2H | 62 61 t 1H J 48 | 59 59 m 1H | 41 41 m 1H | 38 37 m 1H | 36 35 td 2H J 47 55 | 24 23 m 1H | 21 20 m 1H | 19 18 m 1H | 18 16 m 5H | 13 12 hept 1H J 56 | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(O)C(C)c1cccc(C(=O)c2ccccc2)c1
ir: 2 1 3 2 3 4 6 3 1 1 1 2 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 3 3 1 1 2 2 7 8 22 21 3 1 2 1 1 4 2 1 2 2 7 7 3 1 1 1 0 1 1 1 1 1 1 1 2 2 3 2 3 1 1 3 4 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 5 13 12 14 3 3 2 2 4 2 5 2 1 1 1 1 1 1 1 1 0 1 3 2 2 2 2 6 3 2 3 3 2 5 1 2 1 2 2 3 4 1 1 1 1 2 1 1 2 5 14 13 4 5 15 15 16 3 3 1 1 1 1 0 1 2 0 0 1 1 0 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 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 3 4 4 9 9 14 28 28 3 2 1 2 2 6 100 38 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 0 0 1 1 1 1 1 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; 1HNMR: 78 78 m 2H | 78 77 m 2H | 76 75 m 1H | 75 75 ddt 2H J 14 65 82 | 74 74 t 1H J 82 | 73 72 ddt 1H J 9 19 82 | 43 42 m 1H | 42 41 q 2H J 66 | 40 40 d 1H J 62 | 30 29 ddt 1H J 70 79 88 | 28 27 dd 1H J 79 167 | 26 25 dd 1H J 80 168 | 14 13 dd 3H J 15 70 | 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.
O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F
ir: 2 2 2 1 2 1 4 17 3 4 2 3 2 2 5 2 2 9 6 3 4 6 3 7 6 5 3 7 5 4 5 9 10 9 17 10 4 8 6 11 23 30 16 17 14 13 12 6 12 10 5 2 6 3 2 1 4 5 3 2 2 2 2 2 6 1 5 99 3 4 1 2 18 10 3 2 3 3 0 0 3 4 0 1 2 2 1 2 4 4 6 16 7 3 2 2 6 12 19 15 8 7 19 8 8 15 3 4 3 3 1 6 19 6 5 3 5 4 2 8 9 13 3 7 9 4 4 6 6 4 1 9 12 2 1 3 7 30 14 2 2 1 1 5 11 12 56 45 34 11 6 7 6 4 1 2 5 1 2 2 11 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 0 1 1 1 1 1 1 0 0 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 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 1 3 2 2 2 4 1 1 6 4 4 41 16 3 2 1 1 2 1 0 1 2 1 1 2 2 3 2 3 6 4 3 8 7 15 40 100 43 24 27 8 7 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 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 q 1H J 21 | 78 77 m 4H | 74 73 m 1H | 70 70 d 1H J 73 | 64 63 d 1H J 78 | 41 40 m 2H | 21 19 m 2H | 19 18 m 1H | 18 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)CN(C#N)CCOC(C)=O
ir: 4 3 5 3 1 4 8 6 18 6 9 5 3 5 4 4 3 8 5 4 7 6 6 2 3 3 3 2 2 2 4 4 3 4 2 1 1 2 2 1 2 4 7 2 2 4 2 2 3 3 4 1 2 2 2 1 1 3 4 0 2 2 6 7 5 5 9 14 3 2 3 20 6 4 2 6 2 4 9 3 4 3 25 23 8 7 1 1 3 3 1 2 8 6 1 2 4 7 4 3 7 10 2 3 8 8 7 6 17 13 5 7 3 9 2 5 3 10 23 4 10 27 28 17 17 14 4 4 4 2 2 4 4 4 5 3 4 3 2 2 3 5 8 12 100 6 3 6 3 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 23 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 3 1 3 6 5 5 2 3 5 5 8 6 11 6 27 8 3 2 2 3 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 44 43 m 2H | 37 36 s 3H | 36 35 m 3H | 33 33 dd 1H J 45 111 | 29 29 qt 1H J 44 68 | 21 21 s 3H | 12 12 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.