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Cc1cc(N)cn2c(CF)nnc12
ir: 5 6 8 1 4 2 3 5 4 5 1 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 4 2 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 4 15 13 2 7 2 1 1 0 1 1 1 8 3 2 1 0 0 2 13 1 4 1 1 0 0 0 1 0 0 1 0 0 0 1 0 1 0 2 1 0 0 1 0 0 0 1 3 2 1 1 3 1 1 1 3 1 1 1 0 0 0 1 2 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 8 20 7 4 1 0 0 1 72 17 2 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 3 3 1 1 1 7 7 5 3 1 1 1 0 1 1 0 0 1 1 0 0 1 7 5 0 0 1 0 0 1 1 0 0 2 100 25 2 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 13 | 71 71 p 1H J 13 | 58 58 s 1H | 57 57 s 1H | 49 49 s 2H | 24 24 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C=O)Cc1cccc(OC)c1
ir: 15 10 17 28 31 16 17 13 13 18 9 9 13 6 4 10 13 6 9 11 14 7 6 10 10 5 7 23 21 5 9 21 12 3 4 8 10 3 5 9 7 4 9 18 11 11 32 43 41 24 16 13 8 4 11 13 11 2 8 13 10 13 8 17 10 11 49 29 23 8 10 10 20 22 10 17 9 5 13 15 8 4 10 8 3 3 8 8 3 10 36 10 5 8 8 8 6 9 18 11 4 6 9 31 26 8 16 13 9 14 45 18 22 25 22 25 13 28 17 7 6 8 15 14 3 9 15 9 8 11 10 8 11 16 11 4 3 7 9 9 36 15 16 39 100 46 12 19 56 42 24 8 9 16 12 45 23 9 7 1 8 12 6 1 4 9 5 0 5 9 5 0 5 9 5 0 5 9 5 1 5 8 4 1 6 8 3 1 6 8 3 2 6 7 3 2 7 7 3 2 7 7 2 3 7 6 2 3 7 6 2 3 8 6 2 4 8 5 1 4 8 5 1 4 8 5 1 5 9 4 1 5 8 4 1 5 8 4 1 5 8 4 2 6 7 3 2 6 7 3 2 6 7 3 3 6 7 3 3 7 7 3 3 7 7 3 4 8 8 4 10 8 8 4 10 16 11 8 7 14 13 21 10 33 24 24 11 82 57 3 7 10 7 1 6 10 5 2 6 8 4 2 6 8 3 2 6 7 3 2 6 7 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 6 2 4 7 5 2 4 8 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2; 1HNMR: 99 98 dt 1H J 9 88 | 72 72 dd 1H J 75 81 | 70 69 ddq 1H J 10 20 81 | 68 67 ddd 1H J 12 21 73 | 67 67 tt 1H J 8 20 | 42 41 q 2H J 64 | 39 38 m 1H | 38 38 s 2H | 33 32 ddq 1H J 8 83 133 | 30 30 ddq 1H J 9 82 134 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
ir: 3 3 4 1 1 1 1 1 1 2 2 4 0 1 1 2 2 3 7 4 5 5 4 16 4 10 40 6 23 6 3 3 3 6 7 12 67 39 7 11 3 6 4 14 10 4 5 12 5 1 2 7 3 2 1 2 3 1 2 4 2 2 2 3 2 0 2 2 1 5 4 2 6 7 5 14 6 8 3 16 9 6 3 2 1 2 2 2 3 4 6 3 4 8 6 3 8 9 4 5 6 4 8 5 7 5 2 3 11 9 9 9 8 3 3 3 4 3 1 14 15 14 10 14 17 13 8 12 7 4 5 10 6 5 2 12 13 33 100 48 10 4 6 1 3 2 2 12 59 23 16 22 36 9 17 32 3 2 2 3 2 9 7 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 1 2 6 5 2 5 8 3 2 4 8 9 18 28 7 5 2 2 2 1 1 1 1 1 1 1 2 2 1 2 3 7 35 28 5 5 5 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 2H | 80 80 d 1H J 68 | 77 76 dd 1H J 16 52 | 72 72 dd 1H J 17 63 | 72 71 d 1H J 102 | 71 70 d 1H J 67 | 69 68 dd 1H J 52 63 | 53 52 m 1H | 51 51 dq 1H J 13 27 | 45 44 ddddd 1H J 8 17 25 42 101 | 39 38 m 1H | 37 36 m 2H | 36 35 dddd 1H J 18 49 68 119 | 22 22 m 3H | 21 21 m 1H | 19 18 ddt 1H J 48 72 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2COc3c(C)c(C)cc(C)c32)nc1
ir: 2 3 7 6 56 5 2 3 3 3 4 2 4 6 11 14 6 4 4 3 3 9 4 6 13 5 4 7 5 4 6 10 4 6 41 100 10 4 5 10 8 4 3 4 3 4 23 8 5 6 31 45 84 49 48 14 6 5 5 5 5 6 10 11 9 15 17 6 10 34 41 22 63 6 9 4 6 4 5 5 4 3 3 4 3 2 4 4 5 11 7 9 11 13 7 14 11 5 5 5 8 26 31 8 5 11 16 20 17 9 4 4 3 5 6 6 5 7 7 11 18 16 15 33 10 8 18 7 6 5 9 4 3 15 10 9 63 4 0 7 15 4 3 4 3 4 3 4 17 51 11 12 28 3 5 4 4 2 4 64 9 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 2 2 2 3 3 3 2 3 3 3 4 3 3 3 3 3 3 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 3 2 3 2 3 2 2 3 2 2 2 3 2 2 2 3 2 3 3 3 2 3 3 3 2 3 3 2 3 2 3 3 2 2 2 3 2 2 3 3 3 3 4 3 4 7 6 4 4 5 9 9 6 7 16 14 19 16 36 57 18 13 95 36 30 19 6 5 5 5 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2; 1HNMR: 83 83 m 1H | 76 75 m 1H | 73 72 m 1H | 67 67 d 1H J 9 | 46 46 dd 1H J 39 122 | 44 44 m 1H | 44 43 dd 1H J 38 122 | 23 23 s 3H | 23 23 d 3H J 10 | 22 22 d 6H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1Cc2c(ccc(C)c2C)C=N1
ir: 5 3 0 2 4 4 3 15 7 2 1 3 3 4 2 3 4 14 24 22 43 4 2 2 3 11 3 3 2 1 1 3 3 1 1 2 8 1 1 4 12 3 2 3 2 1 3 3 2 13 4 5 16 100 24 6 13 5 4 4 3 0 8 26 4 0 4 22 63 12 21 5 5 6 13 6 8 22 14 3 2 2 2 3 2 2 10 3 2 2 2 2 1 5 2 1 37 8 6 9 17 6 7 30 53 41 17 14 10 4 4 3 0 5 6 6 22 15 4 4 3 4 7 18 13 5 4 3 3 4 3 3 6 7 5 4 7 8 6 8 27 51 14 7 3 3 4 18 6 5 3 1 2 3 4 31 4 2 2 2 2 14 16 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 2 9 6 4 3 4 7 5 3 4 6 11 8 9 45 31 12 9 31 29 3 7 3 4 3 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 82 82 d 1H J 17 | 74 74 d 1H J 82 | 71 70 dq 1H J 10 84 | 35 34 tddt 1H J 16 49 66 82 | 30 29 dd 1H J 81 145 | 27 26 dd 1H J 81 145 | 23 22 d 3H J 11 | 22 21 s 2H | 18 16 dp 1H J 68 117 | 15 14 dp 1H J 68 116 | 9 9 td 3H J 15 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccccc1CCO
ir: 4 3 4 3 5 3 2 5 5 4 5 4 3 2 2 2 10 4 1 3 4 2 9 8 3 2 1 6 3 1 2 3 3 2 5 6 3 3 3 6 7 4 42 67 49 4 5 7 5 1 2 4 3 1 2 4 5 1 3 5 6 3 3 5 2 0 6 4 4 5 20 9 3 1 4 9 4 1 3 4 2 1 6 5 1 3 6 13 23 47 10 30 24 10 13 9 5 4 4 5 1 2 21 2 1 2 3 2 0 2 3 3 2 4 4 2 3 6 15 2 0 3 8 3 2 4 4 2 1 3 5 1 1 3 3 1 3 6 8 10 2 4 4 1 1 16 75 7 51 19 5 2 55 10 3 20 18 3 2 1 12 4 2 1 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 2 2 0 2 3 1 0 2 3 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 3 6 3 2 2 2 4 2 3 2 5 4 3 4 10 5 6 9 62 21 6 5 12 8 14 17 100 13 9 8 10 3 2 3 4 2 2 4 5 2 2 4 60 27 14 6 5 3 2 3 4 2 1 3 3 1 1 3 2 1 1 3 2 1 1 2 1 0 1 3 1 0 1 3 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 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 84 84 s 1H | 72 71 m 3H | 71 70 m 1H | 38 38 q 2H J 57 | 29 29 td 2H J 8 57 | 26 25 t 1H J 59 | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3c(c2)CNCCS3)ncc1Cl
ir: 7 4 11 10 7 3 8 5 17 3 2 3 3 4 2 2 2 5 4 4 4 4 2 5 5 5 4 4 2 2 1 3 5 1 2 7 11 8 13 15 11 15 16 36 20 22 14 8 10 3 3 4 5 4 12 0 5 13 13 9 4 4 8 8 12 2 10 6 5 0 16 18 0 100 15 16 7 7 4 4 2 2 3 2 2 5 7 7 48 4 4 2 4 5 4 5 2 2 1 3 2 3 3 11 11 6 4 25 38 37 12 9 24 7 36 11 13 6 6 4 3 3 3 5 3 3 5 5 3 3 3 2 2 10 12 3 2 3 12 8 3 3 3 7 2 2 3 3 13 12 36 40 8 5 4 9 12 6 2 2 2 2 2 11 15 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 4 3 2 2 2 2 3 3 3 3 2 2 2 5 10 17 3 8 7 7 3 3 2 2 2 2 2 2 1 2 2 2 2 2 3 2 6 23 41 15 12 32 14 47 9 15 6 15 2 4 3 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 88 87 s 1H | 85 85 s 1H | 73 73 dt 1H J 9 19 | 72 72 d 1H J 81 | 71 71 dd 1H J 21 81 | 69 68 d 1H J 79 | 47 46 d 1H J 103 | 39 39 dd 2H J 9 49 | 36 35 m 1H | 32 31 dddd 1H J 35 62 73 104 | 31 29 m 6H | 26 25 tt 1H J 40 50 | 20 19 m 2H | 18 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC/C=C/c1ccc(I)cc1
ir: 6 4 6 3 5 5 5 5 10 6 12 6 6 10 8 4 4 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 2 4 2 2 2 2 3 2 2 3 4 4 4 6 5 12 5 13 31 11 20 21 10 6 7 10 5 7 3 3 5 3 3 6 11 12 4 7 11 9 12 16 26 11 9 11 6 8 8 17 19 47 39 55 57 18 47 20 20 16 33 8 3 4 7 5 0 47 4 3 3 4 3 3 2 2 4 2 1 2 3 3 2 4 3 5 2 5 13 10 7 6 3 2 3 7 12 14 5 3 4 2 3 3 2 2 3 9 3 6 13 41 16 3 3 4 7 5 2 4 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 3 3 2 2 4 4 3 5 6 3 3 6 8 5 4 9 13 42 19 100 25 25 30 12 8 23 16 27 31 34 14 17 6 6 4 4 4 3 3 3 4 4 3 3 3 3 2 3 3 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 77 76 m 2H | 73 73 m 2H | 67 66 m 1H | 63 62 dt 1H J 41 156 | 43 43 ddd 2H J 13 40 55 | 34 34 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2C(F)(F)F
ir: 1 1 1 1 1 0 2 6 9 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 2 2 4 5 3 0 1 3 2 5 15 25 21 6 8 0 1 13 28 4 1 2 1 0 1 1 1 0 1 1 0 0 0 1 2 0 3 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 2 1 0 1 6 2 2 1 1 1 2 6 3 10 2 2 5 2 1 1 2 3 8 6 4 13 5 3 4 7 7 2 2 4 3 1 3 1 1 1 1 1 2 1 4 1 1 1 1 0 1 5 4 2 6 5 1 2 7 1 2 2 4 2 100 18 4 0 0 1 3 0 3 3 17 16 5 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 0 1 1 1 1 3 4 8 21 12 6 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 2 4 10 17 27 13 24 14 8 4 2 1 1 1 1 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 85 85 s 1H | 77 76 dd 1H J 14 78 | 76 75 m 1H | 74 74 dd 1H J 15 89 | 74 73 m 1H | 73 72 m 2H | 65 65 d 1H J 78 | 49 48 m 1H | 44 43 ddd 1H J 34 60 115 | 42 41 ddd 1H J 33 60 115 | 24 23 dddd 1H J 34 49 60 144 | 22 21 dddd 1H J 34 50 61 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1Oc2c(C(C)(C)C)cc(Cl)cc2C1(C)C
ir: 2 5 5 3 2 6 6 5 4 4 4 6 4 8 14 10 9 26 13 10 5 8 5 2 1 4 4 2 1 4 6 5 2 4 6 5 5 8 42 31 10 8 4 1 2 5 5 2 3 5 3 1 4 10 4 2 3 5 6 15 8 12 36 15 16 1 100 83 14 24 21 18 7 30 8 4 4 5 2 2 6 7 5 3 3 4 3 7 5 8 15 6 5 5 7 8 7 8 7 14 8 9 3 3 4 4 2 3 4 6 3 4 4 8 21 17 17 17 18 24 30 33 16 15 12 7 24 29 19 29 17 22 10 4 7 7 7 0 30 31 16 5 46 47 10 4 3 7 22 13 2 4 3 2 2 3 3 2 2 3 7 8 3 5 3 2 2 4 2 1 3 4 2 1 3 4 3 1 4 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 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 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 3 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 3 3 8 15 9 5 3 3 3 4 5 7 6 11 16 43 57 68 51 42 62 71 22 11 6 5 7 3 2 3 4 2 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 72 72 d 1H J 22 | 72 71 d 1H J 22 | 51 51 dq 1H J 16 29 | 22 22 d 3H J 14 | 16 15 d 3H J 14 | 15 15 d 3H J 14 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Cl)ccc(-c2nc(C=O)cc(N)c2F)c1F
ir: 2 14 90 45 39 9 4 5 6 3 3 4 3 5 4 2 2 4 3 2 7 3 3 2 1 2 2 2 2 1 2 2 4 2 2 1 2 3 2 7 11 18 2 2 3 3 2 2 2 2 2 2 2 3 32 14 3 3 2 4 7 3 2 1 4 2 1 3 21 3 3 3 2 2 3 2 2 1 4 15 8 2 1 1 9 2 1 1 2 1 1 1 7 7 1 2 5 1 1 3 1 4 5 7 7 3 1 1 1 1 1 1 1 1 1 1 1 13 1 1 2 2 3 2 2 2 2 2 3 2 23 4 2 2 2 1 1 1 2 6 3 2 3 5 1 1 1 2 8 1 2 2 2 5 3 8 56 10 5 6 4 55 13 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 1 2 6 2 4 3 17 11 5 2 2 2 1 2 2 1 1 2 2 1 0 2 3 0 16 100 0 2 2 1 1 2 2 1 1 1 12 20 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 76 76 ddd 1H J 20 51 86 | 73 73 d 1H J 87 | 71 71 d 1H J 33 | 45 44 d 2H J 46 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)C(=O)OC(=O)CCl
ir: 4 9 10 7 11 13 5 4 3 7 18 8 5 6 3 6 3 4 2 4 3 3 1 2 2 1 1 2 1 1 2 3 10 2 1 2 2 1 2 1 1 3 3 3 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 0 1 2 1 1 1 1 4 1 2 2 1 1 1 2 5 1 2 2 1 1 1 2 2 6 14 5 19 80 16 13 6 5 4 2 1 1 1 6 5 3 1 1 0 2 2 2 2 1 4 5 5 2 2 1 1 3 3 5 5 4 4 1 2 6 4 4 1 2 2 1 1 1 1 1 1 1 1 1 0 1 3 7 3 27 92 5 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 0 1 1 1 2 1 1 1 2 3 2 2 1 1 3 3 1 2 3 5 8 3 15 10 3 2 1 1 1 1 1 3 6 42 100 12 4 2 2 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 43 42 qd 1H J 58 71 | 43 42 s 2H | 32 31 d 1H J 59 | 14 14 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccccc2CCCC1N1C(=O)c2ccccc2C1=O
ir: 4 1 2 2 1 1 2 1 1 1 6 1 3 3 1 2 1 2 2 11 3 2 4 1 1 2 1 1 3 2 1 1 2 3 9 16 5 5 48 50 19 9 14 35 5 0 2 3 3 1 1 3 1 1 1 1 2 1 1 2 1 0 1 2 1 1 2 1 2 1 2 1 1 2 3 2 1 1 1 1 2 1 1 3 1 1 1 2 1 12 1 2 1 2 1 7 2 1 1 1 2 5 3 2 1 1 1 1 2 1 2 5 11 5 2 3 3 1 2 1 12 10 4 3 1 4 3 12 4 4 2 6 41 7 5 2 2 12 21 3 1 2 4 1 1 1 1 2 4 1 3 13 26 8 100 16 16 2 1 9 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 2 2 1 3 3 5 1 10 30 16 5 2 2 3 2 1 1 1 2 1 1 1 1 1 1 1 1 3 3 4 1 2 12 11 6 2 2 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H | 79 79 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 72 71 m 2H | 70 70 m 1H | 70 69 m 1H | 53 52 t 1H J 43 | 29 27 m 2H | 22 21 dtd 1H J 43 74 134 | 20 18 m 2H | 18 17 dp 1H J 76 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccccc1[C@@H](C)OC[C@H]1CO1
ir: 4 11 5 15 62 15 14 5 5 4 4 11 6 15 6 6 3 3 2 4 3 2 1 4 2 0 1 1 1 1 1 4 7 2 3 8 7 4 6 3 3 13 14 84 4 2 3 3 2 1 1 2 2 1 1 1 2 2 2 2 5 2 2 5 10 13 5 3 3 2 5 7 3 6 8 26 11 33 11 16 18 52 17 17 7 2 3 2 2 2 8 21 17 14 12 3 2 3 2 8 5 1 5 3 5 5 8 3 3 1 2 2 2 1 2 3 2 3 3 5 2 2 4 3 4 4 11 24 16 29 14 9 5 4 4 2 10 44 5 2 2 5 5 41 11 24 12 8 12 14 4 2 1 2 1 1 1 4 2 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 2 2 2 2 3 2 4 7 7 11 14 15 66 35 100 29 4 8 5 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 1H | 75 73 m 4H | 64 63 d 1H J 163 | 49 49 qd 1H J 6 52 | 38 37 dd 1H J 40 114 | 38 37 s 3H | 36 35 dd 1H J 41 113 | 33 32 qd 1H J 26 39 | 28 27 dd 1H J 26 77 | 25 25 dd 1H J 37 77 | 15 14 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(c2cncn2C)C[C@H]1C(=O)OC(C)(C)C
ir: 1 3 2 2 3 4 27 9 9 7 4 3 2 3 3 2 1 3 3 2 0 2 3 1 3 8 9 1 2 4 11 4 3 3 5 4 8 23 26 21 7 4 4 8 13 6 3 1 4 4 16 15 6 3 2 1 4 8 10 5 7 25 11 15 7 2 5 5 5 2 4 2 8 3 2 1 2 3 2 2 4 6 9 4 21 5 3 3 7 7 5 5 19 9 6 8 10 14 23 10 4 8 20 8 2 9 1 4 4 3 4 11 14 9 11 8 29 43 31 14 22 25 7 11 16 21 7 13 19 12 43 13 7 3 3 3 3 2 1 2 2 1 2 3 4 9 3 9 4 1 1 2 2 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 1 2 3 2 3 12 9 15 6 9 11 10 5 3 11 8 21 19 25 50 86 47 25 21 11 100 26 3 4 5 2 0 2 2 2 1 2 2 1 0 1 2 1 0 2 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 dd 1H J 9 16 | 71 71 d 1H J 16 | 47 46 ddt 1H J 14 29 41 | 43 42 m 2H | 37 37 s 3H | 30 30 d 3H J 16 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2c1cc(Cl)cc2C(F)(F)F
ir: 2 2 2 6 9 34 13 4 3 2 2 2 1 2 3 10 4 2 2 2 9 2 2 3 9 3 2 1 1 1 1 1 1 2 4 22 4 7 2 1 1 2 2 2 1 2 3 3 3 10 19 16 5 1 5 1 2 1 1 1 1 1 4 33 14 5 20 42 9 2 2 1 2 2 1 1 1 9 2 1 1 2 2 3 4 43 9 4 3 2 1 1 3 7 67 12 3 3 53 66 8 3 9 42 7 2 1 2 2 1 2 2 3 2 7 26 28 23 9 10 11 2 7 2 3 5 3 2 1 2 3 2 0 8 100 9 5 1 1 2 3 1 2 2 24 29 5 2 5 8 18 4 2 1 2 1 6 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 3 7 6 6 5 3 2 1 3 9 24 8 11 25 11 8 2 0 2 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 20 | 77 76 dq 1H J 10 20 | 33 32 dd 2H J 57 67 | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CC(OCC2CC2)CCN1
ir: 5 5 6 6 7 6 8 7 7 7 6 6 7 17 11 8 8 6 6 17 34 32 16 8 6 6 6 5 5 5 6 6 6 5 6 8 16 7 6 10 15 8 19 22 77 100 21 6 7 8 6 5 7 9 18 16 11 14 11 10 9 8 11 6 7 9 11 8 7 7 8 6 10 38 22 9 11 9 7 5 6 7 7 7 9 21 10 15 6 7 7 6 8 6 9 11 7 6 5 6 7 6 6 6 6 6 7 7 6 10 9 7 9 15 26 51 70 29 0 8 10 6 3 7 9 9 12 34 63 25 12 7 18 11 8 10 8 6 5 7 7 5 6 7 6 8 8 8 8 6 8 9 7 7 6 7 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 7 11 7 8 7 8 7 5 7 9 10 6 20 16 8 17 12 9 8 10 10 8 6 5 7 8 7 7 9 8 6 6 7 15 36 100 57 9 12 9 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6; 1HNMR: 43 43 p 1H J 39 | 37 37 p 1H J 46 | 32 31 d 2H J 48 | 31 30 dddd 2H J 32 40 58 132 | 29 28 dddd 2H J 31 38 59 134 | 19 18 dddd 2H J 31 46 59 136 | 17 16 dddd 2H J 31 46 59 138 | 12 11 pt 1H J 46 62 | 5 5 m 2H | 3 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Cc2cc(C)cc(COC)c2OC1C(F)(F)F
ir: 15 7 16 9 4 3 2 4 6 4 2 1 2 5 3 2 2 14 19 8 8 18 13 10 10 21 12 5 5 2 2 1 1 2 2 3 11 2 2 5 4 1 4 59 78 30 5 8 6 5 2 0 1 2 3 4 3 3 21 1 3 3 13 19 4 4 9 15 19 5 30 46 24 7 10 13 7 7 2 1 2 3 10 5 3 2 8 4 2 2 2 3 9 7 5 7 3 4 5 42 59 69 100 5 8 13 28 33 9 3 4 3 3 8 12 22 17 22 28 8 10 7 17 17 10 11 29 12 7 10 2 2 2 2 1 1 2 3 11 1 1 1 1 1 2 1 2 30 15 53 4 3 4 3 0 2 1 2 3 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 3 1 2 2 5 3 8 4 3 2 3 5 14 20 17 18 38 50 11 10 4 3 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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; 1HNMR: 79 78 d 1H J 17 | 73 72 m 1H | 72 71 dd 1H J 12 21 | 56 55 qd 1H J 17 114 | 43 42 m 4H | 37 37 s 3H | 23 23 s 3H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(C(=C(CCCl)c2ccc(-c3ccoc3)cc2)c2ccc(O)cc2)cc1
ir: 1 1 1 2 2 1 2 2 2 3 3 1 3 3 2 2 2 1 1 2 1 2 7 2 1 1 1 2 2 1 2 1 1 1 2 3 2 1 2 1 2 1 1 3 2 2 2 2 2 2 4 2 2 6 12 18 9 5 25 16 4 4 9 2 2 1 2 4 5 12 2 1 1 2 4 1 1 2 3 1 13 14 6 3 3 1 6 13 15 5 2 5 2 2 1 1 1 1 2 1 3 4 3 1 2 3 1 2 2 2 3 4 6 4 2 3 3 4 2 3 8 3 3 3 2 2 12 2 4 3 5 5 4 3 7 2 2 1 1 1 1 1 1 1 1 3 2 1 1 4 9 13 11 4 4 2 2 2 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 2 2 2 2 3 3 6 9 10 9 48 17 15 6 1 3 5 2 100 10 0 2 2 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 dd 1H J 9 16 | 76 76 m 2H | 75 75 t 1H J 16 | 74 74 m 2H | 74 73 m 4H | 69 68 m 6H | 68 67 dd 1H J 9 16 | 38 37 t 2H J 33 | 32 32 t 2H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NCc1ccc(I)c(O)c1)c1cccc2ccccc12
ir: 2 2 1 2 2 2 2 1 2 2 2 3 1 1 1 1 2 3 3 2 2 1 1 1 1 1 1 1 2 2 6 3 1 3 2 2 2 5 5 2 9 5 5 4 8 63 8 5 2 4 2 3 4 11 4 4 4 2 3 3 2 1 1 1 1 2 3 5 3 2 3 2 3 3 2 11 3 1 3 5 2 12 13 7 3 3 2 6 19 5 2 1 2 7 16 7 4 3 1 1 2 4 3 3 5 3 5 3 3 3 2 2 5 10 3 4 9 4 3 2 3 2 2 2 3 3 4 3 4 2 2 4 5 6 9 4 2 10 3 3 7 2 1 1 1 1 2 5 8 2 2 2 6 3 1 1 1 1 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 4 10 36 22 11 3 3 2 2 6 51 3 0 1 2 1 0 2 2 3 1 22 100 6 3 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; 1HNMR: 81 80 m 1H | 79 79 dt 1H J 13 84 | 79 78 m 1H | 77 77 d 1H J 77 | 76 75 m 2H | 75 74 m 2H | 70 69 ddt 1H J 9 17 77 | 68 67 dt 1H J 8 17 | 62 61 s 1H | 40 39 m 2H | 39 38 ddt 1H J 9 58 137 | 29 29 dt 1H J 58 70 | 16 15 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)CCCCCC(=O)CCCCCC1(C(=O)OC(C)(C)C)CC1
ir: 5 6 7 4 1 3 7 9 17 15 19 15 5 13 7 16 5 5 2 2 2 1 2 1 2 5 3 5 3 5 3 2 1 3 2 3 15 8 6 10 8 5 8 3 3 6 8 5 11 3 4 5 2 3 9 2 5 2 5 7 3 5 6 2 4 4 4 2 3 2 1 1 4 6 3 7 3 2 1 1 1 1 2 3 37 12 6 3 8 5 2 4 14 3 1 6 5 8 2 2 2 2 2 3 16 23 14 13 14 8 11 12 17 21 4 7 33 12 20 14 15 23 8 4 8 20 15 27 10 36 15 16 7 4 5 6 5 5 4 7 18 19 6 18 40 100 12 4 3 3 4 2 5 3 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 2 2 5 5 3 7 9 16 11 2 4 3 8 8 19 70 74 15 7 2 4 6 8 5 5 2 2 1 1 2 1 0 1 1 1 1 1 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 42 41 q 2H J 61 | 24 24 t 4H J 83 | 18 17 t 2H J 69 | 17 16 m 2H | 16 15 tt 4H J 69 83 | 15 13 m 10H | 15 14 s 10H | 13 12 t 3H J 61 | 12 12 s 5H | 11 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(F)cc2c1[nH]c1nc(Cc3cnc(C)nc3)nc(O)c12
ir: 32 6 7 8 9 10 5 13 54 16 9 3 7 13 5 12 11 17 10 3 5 5 6 6 3 3 3 6 2 1 1 6 7 16 17 20 7 25 11 9 11 9 8 11 4 1 2 3 3 2 2 2 2 1 1 1 2 4 4 12 4 2 1 2 3 2 19 18 9 10 3 2 2 2 5 10 22 35 9 1 2 2 7 1 0 1 1 4 1 1 1 1 1 1 2 1 1 2 1 1 3 5 1 3 20 2 1 1 0 0 1 2 3 10 7 9 7 5 4 3 5 7 0 2 16 4 4 3 2 2 3 22 10 2 1 3 4 4 47 23 5 7 16 6 12 8 2 1 2 37 6 18 3 3 2 1 4 100 5 29 17 12 3 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 2 1 5 6 1 5 6 6 5 1 1 0 1 1 1 2 19 1 1 1 1 2 2 1 1 2 6 6 2 4 17 18 29 19 8 2 1 2 2 2 6 3 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 2H J 9 | 76 75 dd 1H J 22 121 | 66 66 dd 1H J 20 121 | 63 62 q 1H J 49 | 47 47 d 2H J 9 | 32 32 d 4H J 48 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCN1c2ccccc2CCc2ccccc21
ir: 0 0 1 2 3 7 6 2 5 4 6 6 16 10 8 5 5 8 3 10 19 58 31 4 5 4 6 3 1 1 2 0 0 3 1 1 1 1 6 2 4 9 38 52 44 2 2 1 2 2 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 2 3 17 18 5 4 3 17 10 72 96 9 5 3 7 5 3 12 5 9 19 4 2 1 1 1 1 3 4 2 2 2 2 0 1 1 4 7 2 1 1 1 3 3 4 3 3 2 2 2 5 3 2 1 3 3 4 3 2 2 1 1 3 3 2 2 3 6 5 21 2 3 11 7 35 15 14 11 1 15 21 16 1 1 1 1 3 1 1 1 2 2 5 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 1 2 2 2 4 2 11 4 18 100 40 8 4 2 1 1 0 1 6 16 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 4H | 70 69 m 4H | 41 40 t 2H J 63 | 31 31 s 4H | 27 27 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCOCC1(c2ccccc2)NN=C(c2cc(F)ccc2F)S1
ir: 5 5 4 7 8 18 5 11 32 35 22 17 8 7 4 3 2 5 4 6 7 15 2 2 3 3 6 6 4 13 15 8 9 11 14 21 7 7 8 5 7 49 8 12 3 1 1 2 2 0 2 5 16 13 55 28 13 12 4 0 2 5 2 0 5 7 5 22 13 6 4 11 37 2 3 2 1 1 1 2 1 1 1 2 1 1 2 1 2 4 3 2 3 2 3 2 7 34 28 14 14 55 6 2 3 2 2 3 2 1 2 5 10 2 1 1 2 4 5 2 2 3 1 7 5 3 2 2 3 3 1 1 2 5 9 15 4 2 1 3 4 4 13 32 32 59 59 11 3 12 4 5 2 6 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 3 1 2 2 1 2 3 3 1 10 13 19 90 73 4 9 4 3 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 6 100 62 4 3 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; 1HNMR: 76 75 m 2H | 75 74 ddd 1H J 25 36 122 | 74 72 m 5H | 60 59 s 1H | 48 47 d 1H J 110 | 45 45 d 1H J 110 | 44 43 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H]1CCCN(c2nnc3ccc(F)cn23)C1
ir: 5 3 1 2 8 7 6 7 4 3 4 5 4 1 2 1 1 1 3 4 3 1 1 1 0 1 1 3 2 1 1 1 1 0 0 1 0 1 1 1 1 2 3 1 1 1 1 2 3 0 2 1 1 1 1 1 2 3 12 13 9 8 12 64 19 8 7 7 3 1 3 6 2 6 3 2 1 2 2 4 3 5 5 3 12 40 20 29 75 28 20 15 9 11 18 5 5 3 8 5 1 2 2 3 6 10 6 3 3 3 1 2 4 5 3 1 1 3 3 2 2 4 6 5 22 14 9 6 5 1 1 0 1 2 3 3 14 12 0 0 0 1 1 0 1 1 6 100 38 12 1 2 2 2 1 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 2 3 3 3 4 1 1 2 3 3 3 4 7 23 8 8 21 61 41 13 7 1 4 34 9 5 2 2 2 0 2 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 dd 1H J 13 77 | 80 79 dd 1H J 42 91 | 75 74 ddd 1H J 13 91 231 | 41 40 tddd 1H J 27 40 54 67 | 40 39 dd 1H J 27 127 | 38 37 m 2H | 38 37 ddd 1H J 36 60 129 | 35 35 d 1H J 62 | 20 18 m 3H | 17 16 ddt 1H J 67 95 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O
ir: 5 3 4 4 3 4 4 3 2 12 7 3 13 6 5 5 6 12 13 11 50 64 44 20 16 9 5 3 1 5 5 2 8 2 1 2 1 1 3 2 15 4 4 7 19 19 12 4 5 3 17 13 10 6 8 20 6 1 1 1 2 1 1 1 3 4 1 0 4 2 3 16 2 2 2 1 7 4 17 10 7 3 4 2 3 3 3 4 2 6 6 2 2 2 1 2 3 2 4 3 6 2 1 1 1 0 1 1 0 2 0 0 0 0 1 1 6 3 12 20 3 3 2 2 1 2 5 8 8 16 9 2 3 5 2 5 9 2 2 1 5 27 12 23 15 6 30 9 100 17 4 8 31 5 1 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 2 8 8 10 33 7 19 27 6 4 3 2 4 16 17 6 3 1 1 1 0 0 0 0 1 0 4 2 11 15 12 3 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; 1HNMR: 99 99 s 1H | 77 76 dq 1H J 10 73 | 75 74 m 1H | 75 74 s 1H | 74 73 m 6H | 65 65 m 1H | 52 51 s 2H | 47 46 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)nc(=O)n1-c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl
ir: 1 7 4 3 2 11 2 4 2 1 14 2 5 11 3 12 2 9 0 2 1 6 3 8 15 5 0 1 0 0 1 0 2 6 1 3 1 0 1 3 13 7 6 2 1 3 1 2 0 0 0 1 4 8 3 2 1 1 1 0 1 6 4 22 12 9 11 10 5 19 12 11 10 2 2 3 0 0 1 11 6 16 8 4 100 12 11 17 6 6 1 2 3 5 11 11 2 7 12 3 1 1 1 1 1 0 2 7 18 7 1 3 3 1 9 3 0 2 3 7 1 2 11 6 3 1 1 3 2 2 1 6 2 0 1 1 5 7 9 1 1 9 2 4 5 1 2 4 6 11 1 1 1 1 1 2 0 2 31 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 3 1 2 1 1 1 2 6 6 20 19 55 27 13 3 2 1 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 18 | 76 75 m 2H | 73 72 td 1H J 18 75 | 71 71 ddt 1H J 9 18 82 | 70 69 dd 1H J 14 74 | 69 68 m 1H | 66 66 hept 1H J 14 | 39 39 t 2H J 67 | 28 27 td 2H J 8 88 | 25 25 d 3H J 13 | 19 18 p 2H J 69 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2(C(C)C)CC2)cc1
ir: 1 4 4 2 6 7 1 1 1 1 2 3 8 7 27 41 9 2 7 8 2 0 1 1 1 1 1 9 3 1 1 1 1 1 6 2 2 8 6 5 4 5 9 10 3 7 4 5 2 2 4 6 61 49 73 100 26 5 3 3 2 3 10 8 12 9 13 20 22 43 18 3 5 3 12 9 3 3 4 12 11 5 0 1 6 36 36 6 16 16 13 8 8 20 46 15 4 4 43 28 1 2 3 2 2 4 1 6 4 4 8 3 2 2 2 2 4 5 6 6 4 5 15 51 45 24 20 4 4 4 7 4 2 4 3 2 1 2 2 2 1 2 2 4 5 4 6 21 51 44 18 6 36 24 16 7 4 3 1 3 5 4 5 8 1 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 2 2 4 4 9 7 2 2 3 5 3 5 8 4 9 36 18 51 21 73 89 88 89 50 24 50 30 17 7 8 9 1 4 2 2 1 1 1 1 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 71 70 m 2H | 23 23 d 3H J 10 | 20 19 hept 1H J 54 | 13 12 m 2H | 10 10 m 2H | 8 8 d 6H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1cccc(Cl)c1)c1ncnc(Cl)n1
ir: 1 1 4 3 2 1 1 1 2 2 2 2 3 3 2 1 1 1 1 1 2 2 3 5 5 4 1 1 1 1 1 3 4 6 7 2 1 2 2 2 1 2 2 1 1 1 3 14 16 2 2 2 3 16 11 20 5 1 3 4 2 11 2 2 1 1 1 3 2 2 2 2 2 3 3 5 4 9 3 7 3 1 1 1 1 1 2 1 2 2 2 2 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 2 4 9 3 3 2 1 1 1 3 2 2 1 2 1 2 3 5 4 3 3 3 1 3 16 38 46 62 9 11 53 50 21 2 2 1 2 3 9 13 100 13 3 2 0 2 10 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 10 11 12 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 74 73 t 1H J 21 | 73 72 dd 1H J 73 81 | 71 71 dddd 2H J 12 21 73 95 | 36 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3ccccc3)CC2)cc1
ir: 5 4 4 3 19 12 4 2 15 8 7 6 7 7 8 6 2 2 2 2 5 5 5 5 2 2 2 3 2 3 7 3 10 9 24 11 10 11 6 10 71 42 6 6 8 4 4 5 3 3 8 7 2 3 6 17 12 6 3 1 2 2 4 6 6 34 4 6 5 7 3 3 3 2 1 2 5 3 3 4 8 7 4 35 70 19 6 2 16 14 3 2 3 2 6 2 3 8 8 29 19 7 14 4 7 24 20 8 2 3 6 3 3 2 3 2 2 2 4 11 2 5 12 7 9 9 6 3 4 3 3 26 3 2 6 48 26 21 3 2 2 2 18 47 6 4 14 12 6 6 6 32 9 14 70 32 5 21 80 7 2 24 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 2 4 1 3 2 2 3 4 7 7 7 17 16 35 100 24 6 5 5 2 2 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; 1HNMR: 82 82 d 2H J 88 | 78 78 m 2H | 73 72 m 5H | 73 73 s 3H | 47 46 p 1H J 37 | 35 35 d 2H J 8 | 33 32 s 2H | 29 28 ddd 2H J 49 76 115 | 27 26 ddd 2H J 49 76 115 | 23 22 dddd 2H J 38 49 77 134 | 20 19 dddd 2H J 38 49 77 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cnc(NC(=O)c3cccc(OC)c3)c(Cc3ccccc3)n2)cc1
ir: 1 1 2 2 3 2 3 2 2 4 3 18 13 2 3 2 1 4 4 15 9 6 3 2 2 2 2 1 4 3 5 9 3 10 6 2 2 21 12 15 21 25 4 4 1 1 1 2 4 2 1 1 3 25 15 0 1 3 3 2 3 2 3 5 3 4 3 9 12 11 1 0 2 1 1 1 3 2 8 1 1 3 4 1 1 1 2 2 3 10 23 9 2 8 9 3 4 4 4 1 1 1 0 0 1 1 1 4 2 1 0 1 1 1 0 3 2 5 3 2 11 2 3 2 2 5 7 2 1 1 1 1 5 2 1 13 2 2 2 18 11 67 9 55 5 2 70 41 18 36 15 15 3 11 3 1 2 27 2 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 2 1 1 1 1 2 3 5 9 21 9 100 34 6 6 2 2 2 1 0 1 2 1 1 1 1 1 1 1 1 2 2 6 4 6 27 84 8 3 2 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 80 79 m 2H | 77 76 ddd 1H J 9 22 81 | 74 74 t 1H J 81 | 73 73 t 1H J 19 | 72 71 m 5H | 70 70 ddd 1H J 10 17 79 | 69 69 m 2H | 43 42 d 2H J 7 | 38 38 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCN(C(=O)C3CC3)C4)c2)C1=O
ir: 4 4 6 3 3 5 1 3 6 4 1 3 9 11 15 18 6 4 5 9 6 5 12 18 35 32 26 43 8 13 11 7 4 6 3 5 8 25 12 9 9 5 8 10 7 11 18 6 10 7 11 11 4 3 3 2 3 4 2 2 5 3 2 4 3 3 3 4 11 12 6 4 5 3 12 19 24 18 5 8 4 5 3 5 3 4 3 8 12 17 8 5 12 14 33 17 2 4 7 11 7 9 8 3 2 4 4 2 3 3 4 6 5 11 11 7 8 5 2 11 8 5 7 9 5 11 9 4 8 6 6 4 7 6 5 8 7 19 19 7 5 15 5 3 3 10 11 25 59 74 10 7 10 9 7 4 3 4 42 12 4 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 2 2 1 2 2 2 2 2 2 6 4 2 3 3 6 5 6 12 9 19 29 18 3 8 5 3 1 5 48 35 7 2 2 1 1 2 2 2 25 14 1 1 1 2 2 1 1 2 3 0 6 100 84 4 4 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 77 t 1H J 21 | 76 75 m 2H | 74 74 ddd 1H J 15 22 60 | 69 69 s 2H | 47 47 s 2H | 45 44 s 1H | 38 37 m 2H | 34 33 ddd 1H J 33 51 117 | 33 32 ddd 1H J 31 49 115 | 30 29 m 5H | 25 24 ddd 1H J 31 49 121 | 22 22 ddd 1H J 33 50 123 | 20 20 p 1H J 64 | 11 10 m 2H | 9 8 dddd 2H J 9 63 76 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CNc2c(cccc2NC(=O)CCl)C1
ir: 26 13 24 5 7 5 3 8 6 4 6 12 19 17 17 13 13 5 7 3 5 4 5 4 5 3 3 2 3 3 4 24 15 20 12 11 5 7 7 10 6 4 10 10 13 14 30 29 13 9 11 9 5 5 2 2 2 1 1 2 1 2 2 10 5 5 4 11 3 1 2 6 2 1 2 1 2 4 7 3 2 2 2 2 3 3 7 20 7 3 2 3 5 3 3 17 21 5 4 6 8 12 6 3 2 2 4 2 2 4 16 8 7 3 4 3 3 2 2 4 17 6 5 2 1 5 3 2 2 9 8 3 4 3 4 9 2 3 4 2 17 35 38 8 52 43 41 9 6 0 1 5 7 12 3 3 2 2 2 15 10 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 2 2 3 3 3 3 2 1 3 3 7 11 17 3 9 18 27 3 2 2 1 1 2 2 2 2 3 2 2 2 2 5 2 2 3 5 10 10 19 100 50 24 12 10 7 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; 1HNMR: 91 90 s 1H | 75 74 dd 1H J 12 83 | 71 70 t 1H J 82 | 69 69 dq 1H J 9 83 | 42 42 s 2H | 42 41 t 1H J 45 | 37 36 dt 1H J 47 114 | 34 33 dt 1H J 47 115 | 32 31 m 1H | 31 30 ddd 1H J 8 71 141 | 28 27 ddd 1H J 9 71 143 | 23 23 d 6H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cl)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ir: 3 12 22 26 0 2 2 1 0 1 2 1 0 2 10 6 5 7 23 28 4 1 1 1 1 2 1 1 1 1 1 3 27 73 5 1 1 2 1 1 1 3 4 3 4 4 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 3 7 18 39 78 95 11 3 0 3 2 3 1 2 2 1 1 4 4 2 1 5 79 10 5 2 7 4 9 14 100 2 1 5 4 21 47 6 2 4 3 1 2 3 19 26 20 46 42 1 3 6 2 2 2 10 1 1 1 1 2 2 3 3 7 11 22 51 7 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 6 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9 19 2 1 1 2 2 3 13 31 7 9 73 34 7 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 t 1H J 23 | 77 77 dt 2H J 9 19 | 48 48 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@H](C(=O)Nc1ccccc1)CC2
ir: 3 9 4 6 2 2 2 2 4 5 4 6 5 3 3 2 7 5 8 7 4 6 4 7 2 2 2 10 6 9 3 7 3 2 2 5 3 3 6 11 52 16 3 8 14 24 27 17 26 8 9 8 2 3 6 3 1 1 2 2 2 3 2 2 6 4 2 3 10 4 8 28 11 16 3 3 1 2 5 2 6 1 3 1 1 0 2 3 4 11 3 3 2 1 2 2 4 2 4 4 2 1 2 5 6 12 2 1 1 2 2 4 4 12 9 6 5 3 5 4 2 2 2 3 2 5 6 2 1 6 10 13 8 4 4 39 2 3 2 3 2 2 24 37 5 3 3 13 100 8 16 7 34 4 5 1 1 2 2 0 6 16 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 4 3 4 1 2 4 5 3 4 11 12 11 13 28 14 8 8 8 5 5 1 2 1 1 1 2 0 1 1 1 1 0 1 2 1 2 5 4 0 92 5 5 2 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 92 92 s 1H | 75 74 m 4H | 74 73 m 5H | 72 72 s 1H | 72 71 m 1H | 59 58 m 1H | 53 53 ddd 1H J 18 32 51 | 53 52 ddt 1H J 13 24 170 | 52 51 s 2H | 51 51 m 1H | 44 44 dt 2H J 14 61 | 31 30 ddd 1H J 45 64 132 | 30 29 dddd 1H J 18 46 63 131 | 21 20 dddd 1H J 32 45 64 126 | 19 18 ddt 1H J 47 64 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC1(OC(C)=O)CCN(C(=O)OC(C)(C)C)CC1
ir: 2 6 14 10 11 48 9 13 22 22 41 68 10 10 5 8 18 3 2 6 6 5 5 7 7 12 67 60 17 6 3 8 4 1 3 2 3 2 6 3 2 3 1 2 2 0 3 2 2 1 1 1 1 1 1 9 4 2 6 9 4 2 9 4 5 4 11 4 6 19 9 15 10 8 5 4 2 2 2 2 2 1 1 2 1 2 3 2 0 5 7 7 4 2 3 2 4 4 2 3 5 10 6 15 3 4 5 3 4 6 1 7 5 25 25 31 25 19 28 50 26 50 25 47 45 14 27 22 9 20 21 27 14 13 11 15 22 60 8 7 8 8 6 1 2 87 1 4 2 3 12 90 4 2 3 4 1 0 2 0 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 2 4 3 6 7 7 6 2 18 9 15 7 13 20 39 12 13 30 100 24 20 13 11 12 9 5 5 2 3 9 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 58 57 m 1H | 51 51 ddt 1H J 13 24 159 | 50 49 m 1H | 37 37 ddd 2H J 40 68 126 | 34 34 ddd 2H J 40 68 124 | 22 20 m 5H | 21 20 s 2H | 19 19 ddd 2H J 40 68 137 | 17 16 td 2H J 9 78 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(Br)cc1F
ir: 4 3 4 4 3 3 4 1 1 3 2 4 4 7 1 1 1 3 1 1 2 1 0 1 1 2 7 6 4 3 7 6 13 11 16 12 8 8 26 15 11 12 11 3 4 7 2 1 1 1 1 0 2 7 4 4 4 0 1 0 1 1 1 1 1 3 5 5 8 6 2 1 1 1 1 1 1 3 2 1 1 1 0 1 2 3 4 2 1 1 1 1 1 2 9 15 14 8 4 1 9 10 7 3 3 2 4 2 1 2 1 2 5 7 5 2 4 9 7 16 10 5 15 21 12 5 2 5 3 11 6 4 3 8 22 11 4 3 1 2 1 5 4 16 6 14 25 34 14 4 6 20 7 5 1 1 1 1 1 0 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 2 1 4 3 1 1 2 3 4 7 12 18 48 100 31 12 6 6 2 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 51 87 | 76 76 m 2H | 75 74 m 5H | 43 42 dqd 1H J 29 55 114 | 39 39 dd 1H J 30 107 | 38 36 m 4H | 35 34 dd 1H J 57 108 | 14 13 d 2H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(O)CC(O)C=Cc1c(-c2ccc(F)cc2)c2cccnc2n1C
ir: 2 2 7 2 2 2 3 2 3 2 3 2 3 2 4 3 2 1 1 1 1 0 0 0 0 0 0 1 1 2 2 2 1 0 2 1 1 3 6 2 1 1 1 2 0 1 1 2 1 1 1 1 0 2 11 5 1 0 1 1 0 0 2 1 1 0 0 0 2 1 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 2 11 11 13 29 9 6 3 1 0 1 1 1 1 1 1 2 3 2 1 0 0 1 0 1 1 1 1 1 1 2 1 1 0 1 2 2 1 2 1 1 2 1 1 2 8 1 1 1 0 0 0 1 1 1 1 3 1 2 12 7 4 1 6 2 3 1 1 0 1 9 1 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 2 1 2 4 5 8 20 7 2 1 1 1 9 11 100 5 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; 1HNMR: 86 85 dd 1H J 20 35 | 84 84 dd 1H J 21 69 | 75 74 m 2H | 73 72 m 3H | 68 67 dd 1H J 10 166 | 62 61 ddt 1H J 9 60 165 | 46 45 tddd 1H J 10 53 63 80 | 43 42 m 2H | 42 41 q 2H J 66 | 38 38 s 2H | 37 36 d 1H J 53 | 26 25 m 1H | 24 23 m 1H | 20 19 dtd 1H J 9 81 137 | 17 16 m 1H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(OCc3ccccc3)cc(C)cc2[nH]1
ir: 3 3 7 3 4 5 4 3 7 5 6 3 4 24 13 8 3 62 90 11 10 2 0 5 5 2 1 6 6 6 7 13 28 3 5 7 13 3 8 42 60 29 6 4 3 5 3 5 4 2 6 15 4 3 5 4 4 2 3 4 3 3 18 20 12 11 6 8 11 14 5 11 14 9 7 6 5 4 4 4 3 3 3 3 3 3 6 4 8 17 6 6 5 3 5 4 2 5 14 18 18 4 4 4 3 3 5 4 5 10 10 17 25 29 6 16 27 7 7 6 12 21 48 11 13 8 8 5 5 6 3 3 9 12 8 16 7 4 3 3 3 2 9 34 14 11 8 10 2 17 55 6 5 4 4 3 3 19 4 4 3 4 25 26 4 3 3 3 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 5 4 3 3 3 4 3 3 3 4 5 5 7 8 12 18 27 48 100 46 26 26 19 5 3 4 5 4 2 4 5 2 2 3 3 2 2 3 3 2 3 4 5 8 27 25 10 8 6 3 3 6 4 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 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; 1HNMR: 94 94 s 1H | 78 77 s 1H | 74 74 ddt 2H J 9 16 67 | 74 73 m 2H | 73 73 m 1H | 69 68 d 1H J 22 | 67 67 m 1H | 52 51 t 2H J 8 | 44 43 q 2H J 64 | 24 24 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1/C=C/c1ccccc1
ir: 1 1 4 7 9 5 2 2 1 2 4 2 2 2 4 3 2 2 1 1 2 3 2 1 1 4 3 5 5 4 4 3 5 6 4 16 10 12 32 48 21 19 15 3 4 5 3 2 1 2 1 2 3 9 16 17 8 5 3 4 2 3 3 3 3 5 3 4 9 6 7 6 10 3 5 23 18 3 7 3 2 3 4 8 5 1 1 1 2 7 13 3 2 4 4 3 2 4 6 4 2 4 13 6 3 2 3 2 3 1 3 5 5 6 4 7 8 7 10 12 10 6 8 6 7 3 3 4 3 7 4 11 16 7 9 19 10 9 8 0 19 16 28 13 8 5 15 14 5 10 6 22 7 13 16 2 3 3 9 4 2 3 3 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 3 4 4 19 29 26 100 47 7 6 2 2 2 2 1 1 2 1 1 1 1 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 dd 1H J 17 45 | 78 78 d 1H J 22 | 77 76 dd 1H J 21 89 | 75 75 m 3H | 74 73 m 3H | 73 72 m 1H | 72 71 dd 1H J 9 157 | 71 70 d 1H J 89 | 68 68 dd 1H J 14 70 | 67 66 ddd 1H J 14 45 73 | 39 38 s 2H | 37 36 m 4H | 36 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc2c(c1)CCCC2=O
ir: 20 13 30 14 9 8 22 5 2 15 12 6 2 2 10 4 3 8 9 5 5 16 36 30 11 3 23 43 18 10 4 1 0 3 4 4 0 5 3 2 3 5 2 1 2 3 2 0 5 8 38 20 24 7 3 12 9 34 4 1 2 5 4 4 6 17 10 6 11 14 15 3 3 8 4 4 2 2 1 1 2 8 20 8 2 2 3 3 3 3 3 4 3 4 26 46 9 3 0 4 40 10 1 2 3 2 0 1 5 2 12 11 13 15 10 11 22 73 15 18 28 50 44 25 14 14 1 4 7 6 4 2 2 3 3 8 25 19 2 2 3 2 0 5 7 75 68 40 14 14 16 9 15 12 2 8 4 1 2 2 2 1 2 3 4 1 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 1 0 0 1 2 0 0 2 2 1 1 2 2 1 1 6 4 3 2 4 5 4 8 4 5 5 2 7 7 20 39 36 50 100 66 18 9 4 4 3 2 1 1 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 d 1H J 88 | 80 79 dd 1H J 20 88 | 78 78 dt 1H J 9 19 | 44 43 q 2H J 64 | 29 29 m 2H | 27 27 m 2H | 22 21 m 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(CCn1cc(C#N)c(=O)[nH]c1=O)OCC
ir: 10 2 1 2 3 2 0 2 4 5 6 3 4 1 1 3 4 3 1 2 3 2 1 3 2 1 1 2 2 2 1 6 6 1 1 3 2 1 2 4 2 1 2 3 2 1 1 3 4 6 5 4 3 2 25 31 100 4 4 7 2 0 2 3 3 1 6 5 3 1 2 3 2 2 5 11 5 9 7 5 5 4 3 3 1 1 3 3 1 1 3 3 1 3 6 3 2 1 3 2 1 2 2 2 2 4 4 2 1 2 3 3 3 4 6 3 2 4 5 2 0 3 5 2 3 5 4 6 10 7 6 2 1 3 3 2 1 8 4 2 1 2 2 1 1 3 2 1 1 7 19 10 8 8 6 4 2 2 2 1 2 2 3 30 43 6 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 5 3 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 3 2 1 1 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 5 8 3 2 3 3 1 4 4 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 3 2 7 7 26 11 17 4 5 2 1 2 2 1 1 2 2 1 3 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 82 81 t 1H J 9 | 47 46 t 1H J 37 | 39 38 td 2H J 9 93 | 37 36 dq 2H J 63 112 | 36 35 dq 2H J 63 113 | 20 19 td 2H J 37 93 | 12 11 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(F)(F)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1
ir: 3 3 3 5 5 12 20 20 10 17 10 10 24 30 20 12 9 6 3 3 4 10 15 47 9 5 4 1 1 2 2 1 1 3 2 6 3 0 13 3 2 2 1 1 2 3 3 4 4 4 3 3 2 7 31 6 4 5 5 3 2 3 2 2 23 5 2 2 12 100 26 15 13 5 7 9 3 2 1 1 3 3 1 5 36 70 10 8 32 95 29 44 13 5 15 15 14 7 14 4 6 4 1 2 5 2 1 2 2 4 6 19 5 4 12 7 10 11 5 11 6 7 4 15 10 11 4 5 3 2 3 8 7 12 2 4 3 4 19 3 4 5 3 5 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 5 2 2 4 4 6 7 6 3 3 9 3 2 20 46 10 6 5 9 39 2 3 4 3 3 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 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; 1HNMR: 85 85 s 1H | 59 58 ddddd 1H J 28 52 77 105 182 | 53 53 dq 1H J 13 156 | 52 51 dq 1H J 14 102 | 35 34 q 4H J 67 | 30 29 tdt 2H J 15 77 141 | 12 12 t 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)NC1CCC(=O)c2ccccc21
ir: 0 0 0 0 1 1 0 0 1 1 0 0 0 0 3 1 2 1 1 1 2 3 5 6 7 3 2 1 1 1 1 1 1 4 1 1 6 1 7 36 12 17 18 7 2 1 1 3 0 1 1 1 1 0 0 1 1 1 4 1 1 1 2 1 0 0 1 0 0 0 0 0 1 2 2 1 1 1 1 1 0 0 1 1 3 1 0 1 1 2 3 1 2 1 0 0 0 1 3 2 1 0 4 1 1 1 3 1 1 0 3 2 3 4 8 2 2 4 4 4 6 5 6 1 4 2 2 1 1 1 1 0 1 0 1 3 1 2 3 1 2 2 1 2 2 1 3 7 6 21 100 6 2 1 1 1 1 1 1 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 0 1 1 1 1 3 5 5 6 7 16 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 1 2 1 3 2 9 9 17 11 2 2 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; 1HNMR: 82 81 dd 1H J 20 78 | 76 75 m 1H | 75 74 m 2H | 59 59 d 1H J 82 | 55 54 d 1H J 84 | 50 49 m 1H | 40 39 dp 1H J 55 82 | 30 29 ddd 1H J 63 90 154 | 29 28 ddd 1H J 63 90 156 | 23 22 dddd 1H J 49 63 90 139 | 20 19 dddd 1H J 49 62 90 139 | 12 12 dd 6H J 34 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(Cl)=N/Nc1ccc(OC)cc1
ir: 7 4 1 5 13 10 10 14 10 7 9 9 9 9 7 6 7 4 4 6 6 3 3 6 10 9 33 51 62 6 5 9 5 3 5 6 5 3 9 6 5 1 3 6 4 1 3 6 4 1 4 7 8 8 54 46 46 0 10 9 10 1 6 16 5 1 4 6 4 12 10 11 7 4 6 6 6 40 16 7 2 2 5 5 2 3 8 9 6 3 6 5 2 3 6 5 1 3 9 8 9 10 8 5 0 4 16 100 37 5 4 6 5 10 25 6 3 7 10 9 10 15 10 5 27 29 17 9 14 11 67 47 2 5 5 3 2 5 5 2 2 5 5 3 6 7 5 4 7 49 15 12 18 17 6 5 12 46 7 3 6 6 4 2 15 7 4 1 3 6 3 0 3 6 3 0 3 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 6 3 1 3 6 3 1 3 5 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 3 5 6 5 2 3 6 6 2 3 6 5 4 6 28 28 3 22 34 14 11 7 6 4 2 4 6 3 2 4 5 3 2 4 5 3 3 5 5 13 11 11 71 99 14 9 11 5 2 5 5 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 1; 1HNMR: 87 87 s 1H | 72 71 m 2H | 70 69 m 2H | 44 43 q 2H J 71 | 38 38 s 2H | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(-c3ccc(OC)c(F)c3)c(Cl)c(Br)c2c1
ir: 1 1 0 0 1 4 3 2 0 1 4 1 1 3 0 1 1 1 1 1 1 1 1 2 5 2 1 2 1 5 1 0 1 24 1 2 2 3 1 6 2 2 1 0 0 0 0 1 3 1 2 1 3 3 8 58 56 20 5 3 1 4 4 3 3 3 4 9 7 8 15 5 3 2 1 1 2 1 1 1 1 0 1 1 1 2 1 1 3 9 8 3 1 0 1 2 4 0 1 1 1 3 1 5 1 0 1 0 1 7 4 2 0 14 0 4 2 2 3 2 1 2 9 9 1 2 4 9 3 3 0 1 1 1 0 1 1 0 0 2 4 4 12 4 0 1 2 4 8 12 14 16 15 24 18 2 8 5 2 2 1 1 4 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 4 5 7 19 23 73 100 13 6 2 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 83 | 77 76 dd 1H J 22 99 | 76 75 dd 1H J 22 121 | 75 74 d 1H J 27 | 71 71 m 2H | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CC[C@H](O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
ir: 3 1 2 1 1 2 1 1 1 2 2 2 2 2 1 1 4 5 3 3 2 3 3 1 3 3 45 30 8 9 1 2 1 1 2 1 3 1 1 1 1 0 1 1 1 1 2 2 14 13 3 1 1 4 2 5 24 1 1 1 1 0 1 2 2 6 1 1 3 1 3 3 4 4 1 1 1 2 3 3 1 2 3 4 6 11 17 22 48 7 2 1 9 2 3 2 3 6 2 2 16 1 0 1 2 3 1 2 5 4 3 5 77 6 3 2 2 2 3 2 1 2 4 6 10 11 5 4 3 10 3 14 17 3 1 2 4 4 1 0 3 3 100 24 3 3 4 1 2 4 6 2 1 28 1 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 2 3 1 2 1 2 3 1 4 3 3 9 8 8 34 7 1 2 1 2 2 5 9 5 1 1 0 1 1 1 0 1 1 1 1 2 8 11 9 18 20 6 13 5 3 2 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 73 72 d 1H J 97 | 38 37 m 2H | 29 28 d 1H J 59 | 19 16 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(C)(C)SC
ir: 6 4 3 6 4 2 1 4 5 3 3 15 10 7 1 2 4 3 4 1 1 1 1 1 1 1 1 1 2 5 10 4 1 8 7 2 4 3 3 4 18 21 5 11 9 7 4 4 8 8 4 1 4 5 67 36 8 6 15 11 2 2 1 2 13 12 6 4 21 33 41 9 6 2 2 2 5 7 4 2 3 11 93 6 26 9 4 5 5 1 3 3 3 1 2 3 2 8 14 5 3 5 6 22 72 42 10 5 1 3 8 7 2 2 3 3 6 3 3 7 4 5 4 4 8 9 2 2 1 3 3 3 1 2 4 20 2 3 2 0 0 4 12 5 32 7 5 16 5 10 4 6 7 2 2 1 1 1 3 4 2 7 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 4 2 4 6 11 12 2 24 53 25 7 4 3 3 3 2 2 1 1 1 1 1 1 1 1 1 2 3 8 100 72 10 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; 1HNMR: 78 78 m 2H | 74 73 m 2H | 71 71 tt 1H J 14 75 | 71 70 m 4H | 58 58 d 1H J 108 | 43 42 dp 1H J 15 108 | 37 37 s 3H | 20 20 s 3H | 14 14 d 3H J 14 | 13 13 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(Br)ccn1NC(=O)[C@H](CCOCc1ccccc1)NC(=O)OC(C)(C)C
ir: 7 9 6 7 15 8 14 12 5 2 6 4 5 7 5 4 6 2 2 3 2 3 2 5 6 7 7 16 17 10 32 12 5 8 7 7 4 7 8 29 25 6 2 3 2 5 3 4 3 5 6 5 2 6 6 3 5 3 3 3 5 3 33 10 4 11 4 9 15 12 5 3 5 4 18 4 4 0 8 2 2 1 0 1 2 1 1 1 8 19 8 5 3 3 2 4 4 6 6 6 6 3 11 21 8 4 6 13 12 21 17 21 6 8 4 14 10 10 29 10 33 19 10 9 4 4 8 18 6 18 20 19 13 12 19 60 10 8 6 17 7 15 15 17 32 84 14 10 4 2 3 12 4 1 2 2 1 3 17 6 2 0 1 1 1 1 1 12 6 2 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 2 5 7 7 6 4 5 13 7 5 7 14 29 22 35 21 100 36 14 90 24 31 6 2 2 6 2 1 2 2 1 1 1 1 1 1 1 2 2 3 3 8 15 24 78 7 5 2 2 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 75 74 d 1H J 49 | 74 73 m 6H | 72 72 d 1H J 49 | 56 55 d 1H J 71 | 45 44 d 2H J 9 | 44 43 dt 1H J 55 71 | 39 39 s 3H | 38 37 m 1H | 36 36 dt 1H J 59 119 | 23 22 dq 1H J 56 150 | 20 19 dq 1H J 58 152 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Br)cc(S(C)(=O)=O)c1
ir: 15 2 2 1 1 1 2 1 1 7 22 6 2 4 2 1 2 1 0 1 1 2 2 1 2 2 4 6 7 13 3 24 4 3 1 4 6 2 17 11 6 6 13 45 5 2 2 4 1 1 2 2 3 2 5 2 6 9 2 2 2 1 5 3 3 17 54 13 9 6 4 1 0 1 4 3 1 1 1 0 1 1 2 4 5 100 14 3 4 7 11 20 20 11 7 2 2 2 6 1 1 1 5 4 11 26 25 4 2 2 1 1 0 1 1 4 3 6 5 12 8 26 14 16 11 14 10 14 8 10 6 4 2 1 1 1 2 20 3 1 7 6 20 9 11 18 9 6 30 12 4 2 1 0 0 2 1 2 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 4 1 1 2 1 1 2 3 5 2 1 2 4 17 7 19 31 50 48 24 21 9 3 4 1 2 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 75 75 tt 1H J 9 21 | 73 73 ddt 1H J 8 18 77 | 73 72 td 1H J 18 78 | 72 71 td 1H J 12 76 | 69 69 dd 1H J 13 79 | 51 51 t 2H J 9 | 36 36 d 2H J 9 | 32 32 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.
CC(NC(=O)OCc1ccccc1)n1nnnc1SC(c1ccccc1)c1ccccc1
ir: 2 2 3 4 5 2 4 3 5 2 2 2 1 1 2 1 1 1 1 2 2 2 1 1 3 2 9 5 16 60 14 14 15 22 11 2 5 7 19 27 36 19 10 4 0 3 1 1 1 1 1 0 1 2 3 2 3 1 1 0 1 1 1 1 2 3 3 4 5 12 3 1 2 8 1 1 2 3 3 2 3 1 1 1 1 1 2 6 13 4 5 3 3 2 0 1 4 4 3 2 2 1 1 1 1 2 3 2 18 3 3 10 4 2 2 1 2 1 1 3 2 8 1 3 6 10 1 5 2 4 1 2 4 3 14 37 2 4 3 2 22 3 7 36 14 27 18 14 7 100 3 7 7 2 2 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 8 14 16 15 41 30 15 9 4 4 2 2 1 1 2 2 0 1 1 1 0 1 1 1 1 1 3 6 11 17 18 2 2 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 84 d 1H J 70 | 74 72 m 15H | 58 57 dq 1H J 45 68 | 55 55 t 1H J 8 | 51 51 s 2H | 18 18 d 3H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2ccccc2c2cc(CN3CCCC(C#N)C3)ccc21
ir: 6 4 2 7 6 2 0 2 4 2 0 3 5 3 1 3 3 2 1 3 3 1 2 3 6 7 2 8 4 1 1 4 4 1 2 3 4 3 4 4 3 1 23 100 3 2 2 3 5 4 3 20 6 0 13 14 8 3 4 5 3 1 4 3 4 2 4 14 11 2 5 4 5 4 38 9 3 2 3 7 33 14 8 5 6 2 6 9 13 8 7 5 4 5 5 4 1 3 9 12 9 7 9 2 2 2 7 5 3 5 5 3 1 7 4 7 0 3 6 7 2 6 5 4 5 3 5 2 3 4 11 5 2 3 15 14 2 15 29 1 1 3 13 3 1 3 2 1 1 6 2 1 13 4 3 1 1 2 2 1 14 4 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 2 15 2 4 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 1 5 4 4 2 2 5 4 1 4 12 18 6 17 98 34 8 4 2 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 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 0; 1HNMR: 79 79 m 2H | 77 76 m 1H | 75 74 ddd 1H J 13 71 81 | 74 73 d 1H J 84 | 73 73 ddd 1H J 12 65 75 | 72 72 ddt 1H J 9 22 84 | 43 42 q 2H J 53 | 37 36 m 2H | 30 29 dd 1H J 38 108 | 29 28 tt 1H J 38 55 | 28 27 m 3H | 20 19 m 1H | 18 16 m 3H | 14 13 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1nc(OCc2ccccc2)cc1C=O
ir: 2 2 0 3 12 14 7 8 2 4 2 5 5 2 2 7 4 1 1 2 3 2 2 3 2 2 1 2 2 8 4 5 4 1 1 2 3 9 23 10 13 7 4 3 3 2 3 2 2 0 1 2 1 0 3 3 2 0 1 2 1 1 2 3 1 2 6 8 10 16 14 14 3 2 5 4 9 0 3 4 1 3 3 2 1 0 2 2 7 12 3 3 1 1 2 2 1 2 7 3 5 5 11 3 3 4 5 5 3 1 3 2 1 1 4 4 1 2 3 3 3 3 4 3 1 10 5 4 5 4 8 20 7 4 8 11 4 3 1 3 42 9 9 8 17 6 5 2 1 2 3 10 100 13 3 0 1 2 1 28 8 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 4 2 1 1 2 2 1 2 2 3 3 3 6 5 8 13 17 62 25 33 8 2 3 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 99 s 1H | 74 74 ddt 2H J 9 16 66 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 60 60 s 1H | 53 53 t 2H J 8 | 49 48 hept 1H J 42 | 15 14 d 6H J 41
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccccc2c1/C=C/NC=O
ir: 5 3 5 1 2 14 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 0 1 1 1 2 4 18 9 1 5 1 1 1 14 4 4 1 2 8 11 1 0 1 1 5 1 0 1 1 0 32 0 2 4 1 3 2 2 2 1 1 1 2 7 2 3 4 13 14 5 7 4 5 4 10 20 3 4 2 2 1 0 1 1 1 1 2 2 5 3 1 1 0 1 4 1 0 1 1 4 5 13 8 6 14 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 18 5 9 6 7 18 4 2 1 1 1 5 3 7 26 3 14 39 1 1 1 2 1 1 7 53 2 1 2 44 4 7 17 7 1 1 1 0 1 1 1 3 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 4 1 0 1 1 1 0 2 6 6 46 20 100 37 17 2 1 1 2 1 0 1 1 1 1 1 1 0 1 1 0 1 2 2 16 61 14 4 9 2 2 2 1 0 1 1 1 1 0 1 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 65 74 | 83 83 dd 1H J 14 65 | 81 81 m 1H | 79 78 dq 1H J 7 76 | 77 77 d 1H J 90 | 76 75 m 2H | 75 74 td 1H J 13 76 | 72 71 d 1H J 91 | 70 70 d 1H J 134 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc2oc(-c3cccc(N)c3)nc2c1
ir: 6 23 14 8 12 27 12 6 10 6 6 4 3 4 7 3 3 3 2 3 7 45 9 4 3 7 15 8 4 4 11 11 4 5 3 3 2 3 3 3 2 2 3 2 4 4 6 15 10 3 6 6 4 20 15 21 5 3 3 2 2 4 3 6 8 3 2 6 11 8 2 3 2 2 2 2 5 10 6 4 19 3 5 2 2 7 15 2 2 2 2 2 2 2 2 5 3 6 3 2 3 2 1 2 4 31 4 3 4 2 2 2 3 5 3 2 2 2 3 5 4 3 3 3 5 4 4 3 2 2 4 8 5 5 3 3 3 14 13 3 2 2 5 26 14 5 3 4 3 3 2 12 8 35 57 7 7 15 40 58 6 4 5 46 7 6 3 0 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 4 3 3 10 6 34 100 52 3 3 5 2 0 2 3 1 1 2 3 1 1 2 4 1 23 83 5 2 2 3 3 0 1 5 6 0 16 44 0 4 4 2 2 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 4 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 77 d 1H J 19 | 77 76 ddd 1H J 12 22 104 | 75 75 d 1H J 87 | 74 73 m 4H | 68 67 ddd 1H J 11 21 77 | 44 43 s 2H | 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)[C@H](Cc1ccc(O)c(Cl)c1)OCC
ir: 9 4 13 2 2 2 2 1 2 4 1 1 1 3 3 2 3 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 2 2 1 1 1 1 1 1 3 1 1 2 1 1 1 2 4 2 4 5 3 6 10 5 1 1 1 1 1 2 41 0 22 3 1 1 1 2 1 1 1 1 11 1 3 4 4 2 1 1 2 2 2 1 1 1 2 2 2 1 1 3 3 2 2 2 1 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 20 1 1 1 1 7 1 1 7 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 1 1 4 3 2 1 1 1 2 7 100 14 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 dt 1H J 8 19 | 70 69 ddt 1H J 9 20 84 | 68 68 d 1H J 84 | 67 66 s 1H | 42 41 m 3H | 38 37 dq 1H J 64 114 | 36 36 dq 1H J 64 114 | 32 31 ddt 1H J 9 68 139 | 30 29 ddt 1H J 9 68 139 | 12 12 t 3H J 64 | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(Br)s1)N1CCC1
ir: 6 5 3 5 15 10 3 5 4 3 4 5 5 6 27 29 31 3 1 4 4 1 1 4 6 11 2 2 3 2 1 2 5 1 1 3 2 0 1 3 2 1 2 3 6 2 2 6 4 2 2 4 2 0 2 3 3 3 23 21 24 8 20 10 9 2 3 4 2 0 2 3 1 1 3 6 26 48 13 5 3 0 4 100 7 35 8 44 33 21 21 10 11 8 4 5 3 7 11 12 2 4 5 2 1 2 6 16 23 4 3 2 0 37 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 6 3 1 1 2 3 1 1 2 2 1 1 3 10 3 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 3 3 4 2 1 2 3 4 7 6 7 4 86 42 5 2 2 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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; 1HNMR: 74 74 d 1H J 82 | 72 72 d 1H J 81 | 34 34 td 4H J 26 64 | 20 20 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]c2ccc3c(c2c1=O)CCS3(=O)=O
ir: 36 7 2 2 3 4 20 19 8 2 2 1 1 1 2 2 2 4 13 11 23 23 3 1 0 2 2 1 2 5 4 10 25 6 5 6 18 18 11 10 4 6 3 4 5 3 2 2 7 23 14 2 3 24 22 5 3 3 3 5 2 3 10 13 1 3 3 40 11 3 1 1 7 9 3 3 4 2 1 3 4 2 11 12 1 2 4 11 9 3 5 7 3 3 4 9 11 6 1 1 3 8 16 12 3 14 4 4 3 2 1 2 4 7 8 21 15 11 4 4 9 39 2 6 10 2 3 3 10 10 8 4 3 1 1 2 2 8 2 2 19 45 2 5 2 1 1 4 4 3 2 4 87 21 4 4 2 1 1 4 11 100 10 3 2 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 6 4 3 3 3 2 1 2 5 15 14 7 12 10 11 4 15 9 2 2 2 1 2 2 2 2 2 2 2 1 1 1 1 1 2 3 8 8 21 67 56 5 6 4 2 1 2 1 1 1 2 2 3 3 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 85 84 m 2H | 81 80 d 1H J 99 | 66 66 d 1H J 101 | 43 42 q 2H J 71 | 38 37 t 2H J 84 | 33 33 m 2H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCN(Cc2cccc(N)c2)CC1
ir: 8 5 3 4 4 2 0 6 3 2 2 4 4 3 4 5 5 2 2 3 6 4 5 6 7 2 2 7 3 2 4 5 3 3 2 3 3 2 2 3 2 1 2 4 7 6 4 7 6 4 3 3 2 2 2 3 2 1 3 3 3 2 2 2 3 2 11 13 9 4 4 3 2 2 3 3 4 3 5 28 23 9 7 6 5 4 5 4 1 2 12 12 3 3 3 2 1 2 4 5 5 5 5 2 2 2 3 5 7 3 4 3 2 3 4 2 2 2 4 2 4 5 3 3 4 6 5 3 3 3 3 3 3 6 5 6 7 5 4 3 3 7 4 2 2 3 4 11 4 3 3 2 4 8 15 1 11 29 11 2 2 9 31 14 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 2 2 3 3 2 4 6 10 8 9 15 10 9 4 3 2 1 2 3 1 1 2 2 1 1 2 3 5 41 28 4 1 1 3 3 0 0 4 5 8 100 74 2 5 3 1 1 3 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 72 71 m 1H | 70 69 ddq 1H J 10 21 84 | 67 67 tt 1H J 10 22 | 66 66 ddd 1H J 12 21 79 | 35 35 m 6H | 33 32 s 2H | 27 26 m 4H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1c(C(=O)OC)cc(Cc2ccc(-n3cccn3)cc2F)c(C)c1C
ir: 7 6 18 21 36 9 9 16 18 38 14 4 3 3 6 4 2 3 6 9 6 4 5 10 9 2 1 2 2 1 1 3 1 2 7 5 4 4 5 12 24 69 8 5 3 1 1 6 7 2 3 6 25 14 5 18 31 16 10 5 2 0 5 7 3 4 4 11 85 25 34 50 11 9 12 2 10 4 21 5 3 4 9 7 5 4 3 4 10 10 13 4 25 14 5 3 2 3 9 4 5 12 4 5 11 13 8 2 1 2 2 2 4 9 21 26 10 9 11 10 21 13 24 24 11 8 2 6 4 9 13 11 18 56 17 23 7 8 48 57 23 43 24 15 9 51 16 10 42 14 8 7 28 60 22 4 3 19 6 1 1 1 3 19 1 1 1 0 1 1 0 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 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 3 3 3 5 4 4 2 23 9 8 15 31 49 50 90 72 31 79 100 40 14 10 7 1 2 2 3 1 1 1 1 1 1 0 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 24 | 77 77 d 1H J 17 | 76 75 m 2H | 74 72 m 3H | 65 65 dd 1H J 17 25 | 57 56 dd 1H J 21 164 | 56 55 dd 1H J 22 110 | 40 39 dt 2H J 9 29 | 39 39 s 3H | 23 22 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCC(C)=CCCC(C)(C)Cl
ir: 2 1 3 2 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 3 3 3 3 3 4 2 4 2 2 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 2 1 2 5 6 2 2 1 1 1 1 1 2 3 2 5 4 3 4 5 2 5 3 8 10 11 5 5 2 3 3 3 2 1 1 1 1 1 1 1 1 2 1 0 2 4 100 4 3 0 0 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 2 2 2 2 2 3 3 5 13 10 6 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 52 52 ddq 1H J 12 47 69 | 35 34 t 2H J 66 | 23 22 tq 2H J 11 66 | 21 20 tdq 2H J 10 56 75 | 20 20 s 3H | 18 17 td 2H J 9 74 | 17 17 q 3H J 10 | 16 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1
ir: 4 2 2 1 0 1 1 1 1 2 2 3 1 1 1 0 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 4 9 10 8 3 6 23 6 4 2 2 1 1 1 1 1 2 1 1 1 1 3 2 0 1 1 1 1 1 2 10 2 1 4 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 30 2 3 4 4 5 2 1 1 1 1 2 3 0 1 2 1 1 2 6 13 3 2 3 2 3 2 2 2 2 1 1 1 3 2 5 1 1 3 9 3 2 2 2 3 1 1 1 1 1 2 2 7 100 6 8 6 2 2 16 0 4 1 1 0 1 2 2 0 1 1 2 3 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 5 5 3 3 6 9 5 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 2 4 5 1 2 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H | 84 84 d 1H J 16 | 83 83 d 1H J 16 | 79 79 t 1H J 21 | 79 78 dt 1H J 21 77 | 77 76 m 1H | 76 76 dt 1H J 18 81 | 42 41 q 2H J 66 | 39 38 ddd 2H J 60 88 135 | 34 33 m 2H | 33 33 s 3H | 23 23 d 2H J 74 | 22 20 m 3H | 19 18 ddt 2H J 60 88 121 | 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(O)c1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1
ir: 1 2 2 2 1 2 1 2 1 2 1 2 2 2 1 5 10 3 4 2 4 19 23 10 3 2 2 2 3 2 9 3 3 2 1 3 4 2 1 1 1 5 11 3 3 3 8 13 7 3 3 6 4 12 9 3 7 9 4 1 2 1 1 1 2 1 1 4 5 11 5 2 2 3 4 7 6 12 17 27 8 4 3 6 3 2 2 4 2 2 2 1 4 4 2 3 2 3 3 1 2 1 1 2 4 3 1 2 2 1 1 1 1 1 2 10 13 5 2 3 2 2 0 3 8 4 2 2 3 3 2 1 1 1 3 9 8 13 3 2 3 2 2 3 3 15 12 7 27 8 3 4 2 4 3 6 23 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 8 4 1 20 51 35 26 13 3 2 1 2 5 60 100 9 2 2 2 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 79 | 80 80 dd 1H J 11 76 | 80 79 m 3H | 78 77 td 1H J 12 77 | 77 77 dt 1H J 10 73 | 76 75 td 1H J 15 78 | 74 73 m 2H | 72 71 dt 2H J 10 86 | 69 68 m 2H | 53 52 d 2H J 11 | 40 40 p 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC=CCC=CCC=CCCCCC(=O)O
ir: 0 1 1 2 2 2 2 3 3 4 3 1 1 2 4 2 1 3 4 8 32 34 71 33 18 3 1 2 2 1 1 1 1 0 0 1 1 1 2 2 7 4 2 3 3 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 8 32 12 3 13 6 3 2 1 0 1 1 2 4 3 2 1 2 1 2 1 2 2 2 4 2 1 1 1 1 1 3 2 8 1 2 1 1 3 3 1 2 1 4 6 8 4 16 12 9 3 3 4 3 7 14 4 3 2 2 1 1 2 2 4 3 1 5 5 18 2 3 2 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 2 1 4 2 2 2 1 2 2 3 4 3 10 9 29 37 5 3 2 2 1 2 0 4 13 100 42 7 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 55 54 m 1H | 54 53 dp 5H J 36 104 | 27 27 dddd 4H J 12 28 42 59 | 23 22 t 2H J 84 | 21 20 m 3H | 17 16 dddd 2H J 8 74 82 157 | 15 14 m 2H | 14 12 m 7H | 9 9 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(OC[C@H]2CCCN2)ccc1-c1ccccc1
ir: 1 2 2 4 4 2 2 3 28 6 3 7 9 40 5 6 5 5 15 8 2 2 2 2 2 3 4 4 4 3 4 10 3 5 6 32 11 29 55 38 27 0 50 4 4 11 4 4 4 2 2 4 5 26 100 10 3 9 13 15 10 5 3 3 3 4 7 9 4 8 16 3 2 4 4 4 6 5 4 4 2 2 2 4 26 3 2 2 2 3 4 2 2 2 2 2 3 2 2 2 3 2 4 4 3 6 4 19 75 7 16 32 5 4 8 10 5 30 18 9 3 5 11 14 9 5 4 4 6 6 7 26 5 18 58 8 50 4 3 3 4 4 2 13 45 5 2 3 3 38 12 19 9 2 2 16 22 5 2 1 2 19 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 2 2 2 2 3 4 2 3 2 2 2 3 10 16 16 22 54 31 6 4 4 3 3 2 1 2 2 2 1 2 3 2 2 5 12 25 19 2 3 3 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 84 | 76 75 m 2H | 75 74 m 2H | 74 73 m 1H | 69 69 d 1H J 82 | 43 42 dd 1H J 45 133 | 41 40 dd 1H J 47 134 | 35 34 dddd 1H J 18 30 37 77 | 33 33 dt 1H J 24 59 | 30 29 m 1H | 29 28 m 1H | 20 19 m 1H | 19 18 m 1H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCNC(=O)C1
ir: 22 13 5 20 32 18 10 14 20 10 6 13 18 9 3 13 20 7 4 15 18 8 7 15 17 11 17 25 42 41 69 29 57 56 9 17 15 5 7 19 14 5 9 17 14 15 13 19 22 8 26 49 19 0 13 25 13 2 14 29 15 5 15 27 20 3 14 27 16 4 14 17 9 12 14 18 8 5 14 16 6 4 14 15 6 6 15 15 5 6 15 14 6 7 15 13 4 7 16 12 3 8 17 12 9 10 20 15 4 13 26 17 7 13 20 15 13 17 32 17 6 18 26 12 6 13 17 14 18 36 34 32 56 33 31 8 6 16 16 5 5 15 15 5 6 15 16 6 9 20 25 25 100 84 67 14 11 17 12 4 9 16 12 4 10 17 11 2 9 18 10 2 10 18 10 2 11 17 9 3 11 16 8 4 12 16 8 4 12 15 7 5 13 15 7 5 13 14 6 6 14 14 6 7 14 13 5 7 15 12 5 8 15 12 4 8 16 11 4 9 16 11 3 9 17 10 3 10 17 10 3 10 17 9 3 11 16 9 4 11 16 8 5 12 15 8 5 12 14 7 6 13 14 7 6 13 14 7 7 14 13 6 7 14 13 6 8 15 12 6 9 15 12 5 13 18 15 8 12 22 17 10 21 33 24 17 11 18 10 4 11 16 9 4 12 16 9 5 11 15 9 5 13 15 8 8 15 18 17 21 40 50 28 43 36 24 8 8 14 12 6 8 14 12 6 8 14 12 5 9 15 11 5 9 15 11 4 9 15 10 4 10 16 10 4 10 15 9 4 11 15 9 5 11 14 8 5 11 14 8 6 12 13 8 6 12 13 7 7 13 13 7 7 13 12 6 8 13 12 6 8 14 11 6 8 14 11 6 9 14 11 5 9 15 10 5 10 15 10 5; 1HNMR: 55 55 t 1H J 39 | 34 33 dddd 1H J 30 39 58 135 | 33 32 dddd 1H J 31 40 57 134 | 25 24 dd 1H J 67 158 | 22 22 dd 1H J 67 159 | 20 19 m 1H J 65 | 18 17 dtd 1H J 30 60 135 | 15 14 dtd 1H J 31 59 136 | 10 9 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN1C(=O)C2(COCCOC2)N(C(=O)OC(C)(C)C)CC1c1ccc(F)cc1
ir: 7 5 16 14 4 13 7 7 8 6 9 19 52 29 27 20 2 9 19 17 19 10 2 6 17 18 5 3 2 3 4 6 11 7 2 11 16 15 6 1 3 6 4 1 2 3 10 16 3 2 5 10 9 16 24 14 12 3 7 5 5 4 9 5 4 8 5 3 9 16 9 5 12 33 9 6 3 20 19 1 2 1 1 3 4 3 8 9 7 3 5 3 9 6 3 25 10 9 10 7 1 12 16 11 11 3 4 4 4 3 4 6 2 3 5 4 5 12 22 45 24 12 19 100 33 18 6 18 24 12 6 12 5 3 2 4 5 2 1 5 4 3 2 24 44 12 16 95 60 21 10 35 13 3 2 0 1 2 1 1 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 3 4 4 7 8 5 4 2 8 6 8 21 42 26 36 38 18 5 2 2 7 3 2 1 1 2 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 73 72 m 2H | 72 71 m 2H | 48 47 td 1H J 9 48 | 43 42 m 2H | 42 41 d 1H J 143 | 41 40 dd 1H J 48 115 | 40 39 d 2H J 110 | 38 37 m 10H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@@H](C)[C@H](OC)c1ccccc1
ir: 2 2 2 4 3 4 4 2 2 2 2 3 1 2 2 1 1 3 5 8 2 2 1 2 1 6 2 2 4 7 19 9 9 5 5 7 8 15 36 11 48 100 14 12 4 0 8 4 2 0 2 3 4 2 3 3 3 1 11 27 5 5 4 3 4 3 5 35 15 6 4 9 12 2 18 18 4 6 5 3 7 3 5 3 2 1 2 2 3 9 4 3 1 1 2 3 3 3 4 2 0 1 3 2 2 3 5 3 19 12 2 6 5 3 6 27 72 21 13 28 7 10 10 6 4 8 5 2 1 4 9 4 12 27 16 12 4 2 1 2 3 6 18 28 10 5 6 4 2 2 2 5 8 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 2 1 2 2 2 1 2 2 2 1 3 3 2 2 4 4 16 11 7 28 47 34 2 2 5 3 3 2 3 3 2 4 3 2 3 2 6 24 63 79 36 14 7 4 2 2 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H | 45 44 dddt 1H J 9 15 23 55 | 40 40 dq 1H J 51 66 | 33 33 d 3H J 15 | 33 32 m 1H | 24 24 dd 3H J 15 51 | 12 11 dd 3H J 15 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOc1ccnc2ccc(C=O)cc12
ir: 5 3 3 5 7 3 1 3 5 3 6 7 5 5 5 5 7 3 2 6 6 2 2 7 6 1 2 3 4 2 1 3 3 1 1 4 3 1 12 9 4 1 2 8 6 2 3 5 9 2 7 11 11 0 4 31 45 6 4 6 3 1 9 9 5 2 6 7 3 4 12 23 19 21 10 5 2 5 7 6 10 5 5 6 2 3 20 20 8 6 7 13 10 3 5 8 17 7 8 9 7 4 4 4 14 7 5 5 2 2 4 3 1 4 9 6 0 3 7 3 2 5 5 4 6 5 4 2 1 3 5 3 2 6 7 4 1 4 3 2 1 3 3 3 2 4 4 5 24 12 5 1 2 5 6 2 6 5 9 59 16 4 3 2 3 5 20 12 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 2 4 4 3 2 3 4 3 1 2 4 3 2 3 7 4 6 16 100 22 6 4 4 3 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 91 91 d 1H J 49 | 89 89 d 1H J 20 | 81 80 m 2H | 69 69 d 1H J 51 | 43 42 t 2H J 65 | 31 30 t 2H J 66 | 25 25 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc(Br)c(S)c(Br)c1
ir: 2 3 1 2 1 3 5 3 1 1 1 1 0 1 1 3 1 0 1 0 1 1 1 1 1 6 1 0 1 1 1 1 0 1 2 5 5 3 3 5 4 3 4 12 5 6 4 2 3 8 4 2 3 7 2 0 1 2 0 0 1 2 1 12 4 13 4 8 4 1 2 1 1 1 0 0 1 1 0 0 2 1 0 0 1 1 0 1 2 7 2 17 3 2 1 0 1 7 4 1 1 1 10 20 4 1 0 1 1 1 0 1 1 1 1 1 1 1 1 6 13 3 2 4 6 8 7 1 7 100 0 1 1 0 1 1 1 1 2 1 1 1 3 5 74 5 1 1 1 0 1 1 1 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 2 2 0 1 0 1 8 2 1 1 1 1 2 4 6 8 99 49 10 7 2 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 2H J 9 | 49 49 s 1H | 37 37 t 2H J 8 | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(N2C[C@@H](C)Oc3ncnc(N)c3C2=O)cc1
ir: 2 2 3 1 2 2 8 8 4 4 2 3 4 2 3 2 1 1 2 2 4 4 3 4 4 3 2 3 3 2 4 4 6 8 9 5 4 4 2 2 2 9 2 2 6 19 19 13 7 9 4 4 2 1 4 3 6 5 2 2 2 1 1 1 2 1 2 2 2 2 2 3 3 2 2 10 4 3 3 2 1 1 1 1 2 1 1 2 7 1 1 2 3 2 1 2 2 2 9 10 2 4 5 1 2 2 1 2 1 1 1 1 1 1 2 1 1 2 4 4 3 3 2 2 3 3 2 1 3 3 3 2 2 3 2 1 1 1 1 1 1 33 19 5 6 4 10 46 14 3 4 51 9 100 6 0 10 29 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 5 3 11 23 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 29 18 2 1 1 1 1 1 1 2 2 2 51 16 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; 1HNMR: 82 82 s 1H | 75 75 s 2H | 73 72 dp 2H J 9 84 | 71 70 m 2H | 51 50 m 1H | 44 44 dd 1H J 48 125 | 42 41 dd 1H J 54 124 | 37 36 s 2H | 36 36 d 2H J 9 | 15 15 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1Cc2c(OC)ccc(OC)c2C2(C1)SCCS2
ir: 5 9 14 7 9 6 7 3 2 3 8 6 4 6 1 5 2 2 3 3 2 5 3 2 1 4 20 5 3 1 1 9 5 5 4 2 1 1 1 2 1 0 1 2 2 2 2 4 11 2 2 5 6 17 72 12 7 1 10 6 17 7 9 8 4 3 1 4 7 0 1 7 9 4 4 8 4 2 1 1 4 1 1 5 0 1 1 1 0 1 2 3 2 2 2 1 5 9 18 6 4 4 7 7 10 7 6 10 31 21 6 3 2 5 9 27 30 16 14 13 20 7 7 12 5 4 4 9 3 3 2 2 1 3 3 8 5 3 2 2 2 4 20 26 100 55 21 8 6 1 1 0 1 4 18 1 1 1 1 2 14 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 2 2 1 2 5 5 9 11 1 2 4 5 8 10 19 36 6 16 37 22 4 3 3 1 1 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 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 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: 68 67 d 2H J 20 | 39 38 d 6H J 33 | 36 36 s 2H | 35 33 m 7H | 32 31 dd 1H J 72 155 | 27 27 dd 1H J 51 119 | 25 24 dd 1H J 51 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(NCC2CCCCC2)C(=O)c2ccccc21
ir: 3 1 2 1 5 1 2 2 4 9 10 8 10 5 5 10 23 27 40 22 61 22 30 26 14 6 6 51 16 12 5 3 2 1 3 12 38 14 23 7 4 5 7 36 12 6 2 5 3 3 5 2 8 3 1 4 2 0 1 3 4 3 6 4 3 9 15 25 33 5 3 0 2 1 2 3 2 1 1 1 5 5 1 2 1 1 1 0 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 4 4 2 10 2 3 2 6 11 11 8 68 87 92 41 31 18 19 12 15 11 10 6 2 2 9 2 2 1 1 0 2 1 18 8 3 1 2 3 18 29 68 28 23 5 6 6 32 73 12 4 4 2 2 1 2 2 3 2 8 15 3 1 1 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 5 2 2 2 3 2 2 3 10 3 10 17 52 77 18 12 4 6 1 1 2 0 1 1 1 1 0 2 2 1 4 6 6 10 8 22 79 69 56 100 19 12 5 7 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H | 81 80 m 1H | 78 77 m 2H | 70 70 t 1H J 57 | 58 58 s 1H | 34 33 dd 2H J 44 57 | 17 16 tt 1H J 44 55 | 16 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccc2cc(C=Cn3ccnc3)ccc2[nH]1
ir: 1 4 2 3 10 4 4 6 6 3 5 3 2 3 2 2 3 4 2 4 2 2 3 2 2 2 2 1 4 5 28 21 18 10 4 2 4 6 3 5 12 6 9 8 2 3 1 1 3 5 9 6 27 16 30 0 5 11 17 70 27 19 12 23 10 2 6 8 13 13 9 6 2 2 4 5 5 8 11 11 25 32 28 13 9 4 3 3 4 13 27 10 39 6 6 8 7 5 11 14 10 37 76 13 28 18 10 9 10 13 16 16 7 7 19 6 24 20 25 6 5 2 1 3 4 2 4 14 4 11 6 5 5 3 11 4 5 2 2 2 1 8 3 13 7 12 6 2 1 5 6 4 14 61 19 15 15 5 3 4 3 7 2 4 4 1 1 2 2 5 22 6 3 2 3 7 70 18 2 2 1 0 2 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 3 2 3 2 1 3 2 2 2 3 2 1 1 2 2 1 1 3 2 1 2 4 2 2 3 6 6 7 19 23 55 60 100 22 61 16 5 3 2 5 2 2 4 4 3 2 4 2 1 3 5 4 13 15 24 13 12 19 23 25 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 t 1H J 16 | 79 78 d 1H J 97 | 77 77 d 1H J 21 | 75 75 m 1H | 75 74 dd 1H J 17 41 | 74 73 d 1H J 141 | 72 72 m 2H | 67 66 m 1H | 65 64 d 1H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(OC(C)=O)c2c1N(C)C(=O)CC2
ir: 2 5 7 19 15 8 2 6 5 6 5 8 6 6 8 4 5 4 3 9 9 21 12 28 23 20 42 14 14 15 20 14 13 9 13 7 3 6 6 12 7 6 3 2 2 2 3 6 8 6 4 2 17 35 20 23 25 4 3 4 9 12 16 12 12 10 20 29 35 24 24 21 10 10 17 4 4 1 5 6 5 2 6 7 6 2 7 3 1 4 10 16 3 5 4 4 2 13 10 4 1 3 6 8 2 4 8 7 7 10 5 4 5 13 31 23 32 26 9 9 13 18 11 43 48 81 63 8 9 3 6 11 5 5 6 5 18 17 13 14 10 13 57 71 40 28 12 18 39 85 100 17 9 2 8 14 17 3 2 3 4 4 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 3 2 3 8 11 6 8 5 7 9 9 25 25 20 49 44 45 58 52 17 16 10 12 5 5 4 2 2 2 2 1 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 69 68 d 2H J 26 | 60 59 ddt 1H J 55 112 168 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 47 46 dt 2H J 15 57 | 34 34 s 2H | 31 31 m 2H | 27 26 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N[C@@H]2CC[C@@H](N)CC2)nc2c(C(=O)C(F)(F)F)cnn2c1Nc1ccc(I)cc1
ir: 2 3 3 2 3 2 1 1 5 2 8 34 5 3 3 2 2 2 3 1 3 2 3 3 3 6 6 6 4 9 5 16 25 5 2 3 1 4 8 2 2 3 5 3 14 2 6 3 2 2 1 3 2 3 17 14 8 4 5 4 11 7 3 3 4 11 9 3 4 4 5 5 2 2 2 3 4 4 18 10 2 3 6 2 2 2 3 1 2 2 1 1 2 2 1 2 3 11 1 18 8 2 4 11 3 24 3 2 2 11 6 17 2 2 4 5 2 3 6 3 3 2 3 9 6 4 2 3 5 7 27 13 17 19 5 6 3 2 3 4 22 90 5 4 6 15 3 19 6 6 21 2 5 2 2 2 26 23 9 100 4 0 4 11 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 2 3 3 2 1 2 2 2 3 4 3 6 11 3 5 2 1 3 2 2 1 2 3 2 2 8 40 10 6 5 5 2 4 10 62 18 66 75 23 8 5 7 2 3 3 2 1 2 2 2 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 86 85 s 1H | 78 77 m 2H | 73 72 m 2H | 65 64 d 1H J 84 | 37 36 dtt 1H J 30 58 88 | 31 30 m 1H | 22 22 s 2H | 19 18 m 2H | 18 16 m 7H | 14 14 d 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(NC(=O)OC(C)(C)C)c1C
ir: 7 13 19 12 7 13 19 12 8 14 19 13 8 13 17 10 7 14 17 11 8 15 17 11 10 15 15 9 9 15 16 9 10 15 14 9 11 18 16 9 12 18 21 33 54 26 73 6 12 20 14 6 11 18 13 5 13 19 12 6 12 18 12 7 13 17 11 8 13 17 11 7 13 16 10 8 14 15 10 8 14 16 10 8 14 15 9 9 15 14 8 9 16 14 8 10 16 15 9 12 16 13 8 11 16 13 7 11 16 12 8 12 17 13 7 13 17 13 9 15 20 15 10 15 16 12 12 30 24 12 11 15 18 11 10 13 14 10 10 13 15 12 13 13 13 12 12 12 14 19 28 8 26 100 15 35 18 0 9 22 14 3 10 20 13 4 11 20 12 4 12 20 12 4 12 19 11 5 13 18 11 6 13 17 10 7 13 16 10 7 14 16 9 8 14 15 9 8 15 15 8 9 15 14 8 9 15 14 8 10 16 13 7 10 16 13 7 10 16 13 7 11 17 12 7 12 17 12 6 12 17 11 6 12 17 11 7 13 16 11 7 13 16 10 8 13 15 10 8 14 15 10 9 14 15 9 9 14 14 9 9 15 14 8 10 15 14 8 11 17 14 8 11 16 13 8 11 16 13 8 12 17 14 11 17 21 13 8 12 16 12 8 12 16 11 8 13 16 11 8 13 15 10 9 14 16 12 12 15 17 21 36 30 42 20 10 15 14 10 10 15 13 9 10 15 13 9 11 15 13 8 11 15 12 8 11 16 12 8 11 16 12 7 12 16 11 8 12 15 11 8 12 15 11 8 13 15 11 9 13 14 10 9 13 14 10 9 13 14 10 10 14 14 9 10 14 13 9 10 14 13 9 10 14 13 9 11 15 12 8 11 15 12 8 11 15 12 8 12 15; 1HNMR: 79 79 s 1H | 23 23 s 3H | 20 19 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.
COC(=O)CC=C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
ir: 2 4 1 1 3 3 2 2 4 2 2 2 2 3 3 2 4 4 8 7 6 3 3 3 1 2 1 2 2 5 1 2 2 1 1 2 3 1 1 2 2 2 11 11 18 23 12 34 9 18 9 6 9 4 11 40 19 5 4 10 5 12 10 13 7 17 10 11 7 17 6 1 2 1 1 2 2 2 1 2 1 1 1 1 0 1 1 5 8 1 1 2 3 2 1 2 1 3 1 3 2 3 3 5 9 5 7 3 1 1 1 2 1 4 3 3 2 4 6 9 8 8 18 13 17 17 17 9 2 18 7 20 5 2 1 2 1 2 1 1 3 4 12 15 24 5 7 9 23 18 14 43 16 3 3 1 1 2 2 1 1 0 5 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 7 6 1 1 2 2 1 2 5 14 1 28 100 30 19 5 2 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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; 1HNMR: 80 79 m 2H | 76 75 m 2H | 73 72 t 1H J 71 | 70 70 m 2H | 69 69 m 2H | 38 38 s 6H | 37 36 s 2H | 34 33 d 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(=S)N[C@@]1(c2ccc(F)cc2F)CO[C@@H](C2CC2)C[C@H]1[C@@H](O)CF)c1ccccc1
ir: 3 1 0 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 2 1 2 4 13 11 5 3 16 1 3 3 4 4 12 2 1 1 2 1 0 2 2 2 3 16 32 13 8 3 3 1 1 1 1 4 3 7 8 2 2 3 1 1 0 1 2 2 2 4 2 2 0 2 1 4 5 5 5 3 3 7 4 1 3 2 2 1 1 2 1 1 1 1 1 1 2 3 1 1 1 2 3 3 1 1 1 0 1 1 1 4 1 2 1 1 1 2 1 0 1 2 2 1 2 8 2 2 2 1 1 1 7 59 9 9 3 5 6 5 24 59 4 4 17 3 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 5 2 3 5 1 7 13 19 6 6 3 5 8 21 18 8 1 2 2 1 0 1 1 1 2 4 4 3 2 3 5 100 13 5 2 2 1 1 1 1 1 1 1 0 0 1 1 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 83 82 s 1H | 78 77 m 2H | 76 75 m 3H | 73 72 m 1H | 69 68 m 2H | 47 46 d 1H J 119 | 45 45 d 1H J 31 | 45 44 d 1H J 117 | 44 44 d 1H J 31 | 41 40 m 1H | 39 39 dd 1H J 37 57 | 37 37 tt 1H J 26 55 | 27 26 tddd 1H J 26 37 53 79 | 21 20 ddd 1H J 55 80 147 | 19 18 ddd 1H J 28 52 148 | 15 14 h 1H J 59 | 7 6 m 2H | 4 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)ccc1N1CCC(=O)CC1
ir: 15 6 5 5 6 6 12 9 5 6 8 52 10 6 4 6 5 5 5 7 9 5 4 6 9 10 7 5 5 5 5 5 6 8 4 5 6 13 5 5 5 5 7 6 5 4 5 6 5 3 5 8 6 0 33 4 11 8 5 9 5 5 5 7 9 25 12 6 10 51 12 11 7 6 5 5 5 5 5 5 5 5 5 7 7 7 7 11 18 32 9 5 6 16 8 15 15 8 8 6 5 5 6 20 5 11 8 7 9 6 7 14 13 7 10 7 6 7 7 9 7 9 11 16 100 28 9 11 5 9 8 5 4 5 5 4 4 5 6 6 4 7 7 9 73 58 6 7 8 65 9 5 13 7 11 10 6 4 5 5 5 5 4 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 7 7 7 11 9 8 7 8 6 7 7 7 10 18 7 11 78 11 8 6 6 7 6 5 6 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 69 69 ddd 1H J 22 84 103 | 68 68 m 1H | 67 67 dd 1H J 46 85 | 36 36 m 4H | 28 28 m 4H | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1
ir: 0 1 1 1 1 1 1 1 3 2 2 3 3 3 1 1 6 4 2 1 2 3 16 100 2 3 1 1 1 2 1 0 0 1 1 1 1 3 4 1 3 2 1 3 1 1 1 0 1 1 1 1 2 3 36 4 6 1 1 1 1 1 1 0 1 1 1 2 9 0 1 1 1 1 0 1 1 1 4 11 1 7 1 1 1 1 5 1 3 6 5 5 5 3 1 0 1 1 3 1 2 4 3 1 3 2 2 1 1 1 0 0 1 1 1 2 4 1 0 1 1 5 0 1 1 1 2 6 4 2 1 1 1 0 0 1 1 1 2 46 3 1 16 1 7 2 1 1 4 15 1 1 4 1 2 1 1 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 2 5 6 37 4 1 1 2 1 1 1 0 2 9 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 d 1H J 82 | 77 76 m 2H | 75 74 m 2H | 73 73 d 1H J 84 | 48 47 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1O)[C@@H]2C(=O)O
ir: 5 6 5 6 9 7 8 7 13 8 7 7 9 13 15 11 3 7 12 48 84 34 51 72 56 16 21 26 13 9 7 7 5 5 4 4 3 5 7 11 7 6 6 3 4 3 3 2 2 4 3 3 3 3 3 3 3 3 3 2 4 3 3 3 3 4 3 4 4 5 6 4 6 4 6 17 16 26 40 18 28 15 11 7 7 11 8 5 10 8 12 22 29 24 3 4 6 3 2 6 5 5 4 4 8 5 2 4 8 9 9 4 5 3 3 3 9 5 2 4 6 2 2 3 3 2 2 3 3 2 2 2 3 3 3 4 4 3 5 7 6 7 6 11 17 9 6 4 3 2 2 2 2 2 2 2 2 1 2 2 2 3 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 4 2 1 3 5 3 2 7 12 13 6 3 4 2 0 3 8 14 2 38 100 9 11 2 0 3 3 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 83 s 1H | 73 73 s 1H | 43 43 m 1H | 39 38 t 1H J 88 | 35 34 d 1H J 40 | 32 32 dd 1H J 66 88 | 27 26 dt 1H J 45 134 | 25 25 dtd 1H J 42 64 88 | 24 23 ddd 1H J 28 61 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1
ir: 0 0 0 1 1 1 0 1 1 2 2 2 5 1 3 1 1 0 1 0 1 0 0 1 0 1 0 1 1 0 1 2 2 1 1 1 1 3 2 1 1 10 12 5 2 1 1 0 1 1 1 1 5 20 14 8 7 18 10 8 2 2 1 1 2 2 1 0 3 9 4 2 1 1 1 1 1 1 1 3 0 0 1 1 1 0 2 4 4 2 1 1 2 1 0 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 0 1 1 2 6 0 0 0 0 1 3 2 11 21 9 3 4 13 4 2 10 8 2 1 1 0 0 1 4 7 1 7 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 1 2 2 2 5 6 30 100 9 3 3 3 3 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 75 m 2H | 73 72 m 2H | 72 72 dt 2H J 9 83 | 71 71 m 4H | 71 70 m 5H | 26 26 tt 2H J 9 64 | 24 23 d 3H J 7 | 17 16 qt 2H J 63 75 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl
ir: 5 4 6 4 4 10 11 17 5 6 4 4 4 4 6 4 3 9 6 4 3 3 4 4 3 3 3 3 3 3 4 3 4 4 4 7 15 100 23 8 7 0 14 45 1 8 4 1 3 6 7 2 3 8 7 5 3 5 4 2 3 5 6 3 11 7 14 5 11 22 8 4 6 6 11 8 5 5 4 10 4 5 6 3 4 4 3 8 8 15 2 3 4 4 3 5 8 5 6 22 15 6 4 4 12 12 5 6 16 7 2 6 14 16 10 4 5 5 6 5 7 6 3 4 5 3 2 5 6 3 3 4 6 24 10 5 6 8 3 5 5 5 8 8 5 6 15 30 24 7 5 4 12 4 6 5 4 3 4 17 5 6 81 7 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 5 3 3 4 4 3 3 4 4 3 4 4 4 8 10 13 10 42 25 10 5 2 4 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4; 1HNMR: 89 89 s 1H | 80 79 s 1H | 78 78 dd 1H J 11 77 | 76 76 m 1H | 76 75 m 1H | 75 74 ddd 1H J 21 59 79 | 43 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
ir: 2 6 9 7 10 7 6 22 26 13 5 6 4 3 4 3 1 5 2 1 3 1 1 2 2 1 2 2 1 2 2 2 1 1 1 0 0 2 1 1 1 1 2 0 1 1 1 0 1 1 2 1 1 1 1 0 1 4 1 4 1 1 1 10 2 3 1 8 2 11 5 14 6 2 2 7 62 4 2 1 6 3 2 3 7 13 8 42 17 4 9 17 2 2 5 5 1 4 18 6 3 4 3 2 5 2 1 3 2 2 3 3 1 1 4 4 7 3 2 3 4 3 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 0 0 1 1 17 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 7 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 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 1 3 2 2 3 4 2 2 2 2 9 15 7 5 1 2 2 2 0 2 2 6 100 17 3 1 1 1 0 1 1 0 0 0 0 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 58 58 p 1H J 9 | 37 36 tdt 1H J 16 35 55 | 31 30 dddd 1H J 9 55 82 136 | 29 28 d 1H J 53 | 24 23 dddd 1H J 9 55 82 137 | 23 22 dddd 1H J 9 51 77 137 | 22 21 dddd 1H J 9 53 79 142 | 21 20 m 1H | 19 18 ddd 1H J 55 82 117 | 18 17 m 2H | 16 14 m 5H | 14 12 m 3H | 11 9 m 3H | 11 11 s 3H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12
ir: 3 2 3 3 4 2 3 4 7 23 28 5 5 6 9 2 0 17 42 4 3 4 11 6 4 6 28 27 5 17 30 100 22 6 5 8 8 4 2 4 4 18 54 28 11 4 3 2 2 3 5 8 9 8 18 20 6 3 2 5 4 6 2 1 2 5 6 2 7 2 2 6 3 3 5 9 6 2 1 3 4 3 3 3 2 2 2 1 2 4 8 3 2 2 3 29 5 6 7 5 5 3 3 2 1 10 12 6 3 2 3 5 2 2 2 3 6 4 2 5 13 10 7 9 5 3 2 3 4 18 11 23 5 4 6 10 10 6 3 4 1 2 7 17 5 5 16 33 5 3 5 12 9 0 19 8 29 57 28 19 38 29 5 0 2 2 2 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 1 2 3 3 1 2 2 1 2 2 2 2 2 14 20 3 9 11 81 54 31 7 8 15 5 3 4 3 3 2 2 2 2 2 3 3 2 5 4 3 4 8 22 68 41 10 6 5 2 2 4 2 1 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 s 1H | 75 75 dd 1H J 16 68 | 74 74 m 2H | 74 73 m 2H | 72 71 m 2H | 68 68 m 1H | 25 24 d 1H J 121 | 23 22 d 1H J 121 | 15 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Br)cc2c1ccn2C1CC1
ir: 1 1 1 1 1 1 1 1 1 1 2 1 1 2 10 11 4 4 4 3 6 10 41 14 7 2 3 6 3 1 2 6 4 1 1 2 2 1 4 7 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 8 3 2 1 2 2 2 2 2 0 2 13 0 2 3 1 1 2 2 25 18 2 2 4 4 2 1 1 1 2 2 1 2 7 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 3 7 2 1 19 26 2 2 1 1 1 1 1 1 2 4 1 1 1 1 1 1 2 2 3 3 6 4 3 3 1 2 2 3 3 5 7 6 2 1 2 3 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 3 3 8 5 11 16 14 12 6 4 6 4 1 0 74 100 2 3 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 81 81 d 1H J 23 | 76 75 d 1H J 23 | 74 74 d 1H J 55 | 70 70 d 1H J 55 | 42 41 m 1H | 16 15 ddd 2H J 37 75 89 | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(=O)n(CCCN3C(=O)c4ccccc4C3=O)c(C)c(-c3ccccc3)c2c1
ir: 1 1 1 2 0 3 2 2 1 1 2 1 1 2 5 3 2 1 2 1 2 1 1 1 1 1 1 1 1 2 8 4 23 7 10 6 2 4 25 24 85 8 6 11 5 15 38 8 8 4 3 1 1 1 3 10 3 1 4 6 5 3 0 2 3 4 5 3 12 21 8 2 1 1 3 4 5 2 1 1 2 0 1 2 1 0 3 1 1 1 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 0 3 7 9 4 2 1 2 1 2 3 2 3 5 15 12 2 20 19 5 2 6 6 1 8 3 27 10 24 10 3 21 8 8 28 2 2 2 11 4 3 12 1 3 3 5 2 11 100 7 15 26 1 5 2 3 2 1 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 2 1 1 1 2 2 3 4 10 7 6 46 98 36 8 4 2 3 2 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 89 | 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 74 73 m 4H | 73 72 m 1H | 71 71 d 1H J 27 | 70 69 dd 1H J 27 89 | 40 39 m 4H | 38 38 s 2H | 24 23 s 2H | 21 21 p 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2ccn(-c3ccsc3)c2c1
ir: 2 2 1 2 18 17 3 2 3 1 3 3 2 1 0 1 2 1 0 1 2 13 6 1 3 1 3 2 1 1 3 2 3 1 1 10 6 11 3 1 1 1 2 2 3 10 26 6 1 1 1 2 7 3 15 24 12 8 1 1 2 2 1 0 1 1 4 2 2 4 4 1 1 1 1 1 2 1 1 0 1 2 1 1 2 14 4 1 1 1 2 4 5 5 2 5 1 1 1 1 1 1 5 15 10 2 0 1 3 1 1 1 4 4 100 13 5 2 5 1 0 4 1 1 3 1 12 2 3 3 5 3 3 3 11 6 2 3 5 11 3 1 3 8 4 56 14 7 15 18 3 2 1 4 3 7 9 3 4 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 8 17 24 23 15 17 32 10 3 3 2 1 1 1 1 0 0 1 1 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 20 | 79 79 m 1H | 78 78 dd 1H J 21 77 | 75 75 d 1H J 49 | 74 74 dd 1H J 17 50 | 73 73 t 1H J 16 | 71 71 dd 1H J 16 49 | 68 68 m 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN1CCC(c2ccccc2)CC1
ir: 18 7 4 3 4 6 7 11 1 15 12 5 22 16 16 5 30 24 13 12 10 7 8 11 22 6 31 7 22 19 59 38 40 19 12 8 5 30 9 23 97 21 2 10 3 5 4 2 3 3 7 2 2 1 4 6 1 1 6 2 1 5 2 2 1 2 2 4 8 11 8 1 6 7 3 4 3 5 21 5 4 7 18 17 5 5 20 7 5 23 19 20 12 9 4 32 16 41 14 13 2 5 9 13 9 6 3 2 5 2 12 4 7 12 8 11 7 5 8 25 10 9 4 5 7 2 3 6 4 12 4 5 5 9 35 38 8 9 4 2 2 10 7 47 44 44 7 7 4 20 13 7 7 2 2 0 1 1 2 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 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 1 1 1 0 1 1 1 0 0 2 1 1 1 1 0 1 0 1 0 0 1 1 0 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 3 2 3 0 4 4 3 3 1 7 8 4 8 8 33 21 25 98 33 50 14 58 16 16 21 5 2 5 3 2 2 1 1 1 1 1 1 2 3 1 8 15 100 14 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dq 2H J 11 69 | 73 72 m 9H | 55 55 d 1H J 81 | 39 38 tt 1H J 45 58 | 39 38 d 1H J 55 | 38 37 dq 1H J 66 80 | 30 29 m 3H | 28 26 m 3H | 25 24 m 3H | 21 20 m 2H | 18 17 ddt 2H J 52 79 132 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(-c2cccn2C(=O)OC(C)(C)C)cc1C=O
ir: 2 2 4 9 4 2 2 2 1 2 4 2 3 7 6 16 10 3 3 2 1 1 2 3 2 2 2 1 0 1 1 0 1 1 1 1 1 3 1 8 9 2 2 12 39 4 1 2 2 2 1 0 1 2 3 2 1 1 2 1 1 7 6 2 2 2 2 22 1 11 6 1 2 6 2 1 3 2 1 1 2 12 2 0 1 1 0 0 1 1 1 1 3 1 1 1 2 5 9 1 2 2 6 6 1 1 1 2 10 5 1 1 2 3 1 1 11 14 7 5 3 2 3 2 2 1 5 4 2 7 5 4 3 1 1 13 2 3 2 25 2 0 3 5 4 2 1 1 19 9 1 23 6 1 2 7 1 14 5 4 2 0 1 3 45 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 1 2 2 2 1 1 1 1 1 1 1 1 2 2 3 7 16 5 4 100 7 27 27 26 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 81 81 s 1H | 73 73 dd 1H J 16 48 | 66 66 s 1H | 64 64 dd 1H J 16 68 | 62 62 dd 1H J 48 68 | 39 39 d 7H J 40 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CC=C(C(C)(C)CCC(=O)O)CC1
ir: 2 2 2 2 3 2 5 5 3 6 9 6 4 5 6 3 5 1 3 7 32 86 37 9 6 3 3 2 1 3 3 1 2 3 2 1 2 2 3 2 4 3 3 1 2 2 2 2 3 4 2 4 3 2 2 2 2 3 3 3 2 2 4 2 4 6 6 4 2 5 4 2 2 2 2 2 8 13 19 21 7 4 2 2 3 5 2 9 3 3 4 2 3 3 2 2 3 4 5 4 3 2 2 2 2 2 3 2 3 2 1 2 3 3 5 6 6 9 8 8 12 6 7 3 5 4 3 4 3 3 4 2 4 4 3 3 3 3 3 4 6 4 12 33 18 7 3 2 2 2 2 2 2 2 5 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 2 4 3 3 4 2 2 3 8 6 7 9 6 7 5 4 4 2 2 2 3 2 0 100 35 12 2 2 2 2 2 2 1 2 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 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 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 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 59 58 m 2H | 24 24 t 2H J 80 | 23 22 dddd 2H J 9 19 43 64 | 22 21 m 2H | 18 17 m 5H | 11 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C#N)nn3-c3ccccc3)c2)n1
ir: 0 12 5 5 2 3 5 3 1 4 4 2 2 3 5 7 3 6 5 2 2 3 3 2 1 3 3 7 3 5 6 5 3 14 7 16 20 7 4 4 9 7 10 12 8 5 100 14 48 35 8 8 7 6 10 10 2 3 3 1 2 3 2 1 8 4 4 4 8 9 6 2 3 11 18 7 4 4 6 3 5 6 5 4 5 3 2 2 3 3 2 2 3 3 2 2 3 4 1 4 3 2 1 15 4 3 1 3 6 4 4 19 3 2 1 2 4 3 3 3 6 4 4 3 5 2 2 3 35 5 1 7 9 3 27 60 10 4 5 12 4 1 6 7 16 26 11 9 15 95 11 18 6 3 2 6 33 15 13 21 11 8 6 4 10 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 1 2 3 2 1 2 3 3 2 2 4 4 4 6 7 19 57 30 10 11 5 3 4 4 3 4 3 2 1 3 3 2 2 3 3 3 4 13 15 18 52 84 22 8 7 6 4 3 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 94 94 s 1H | 88 88 s 1H | 85 85 d 1H J 22 | 79 78 m 4H | 77 77 m 3H | 76 76 dd 1H J 12 78 | 76 75 dd 1H J 11 73 | 74 74 tt 1H J 13 71 | 68 68 s 1H | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cccc(OC(C)(C)C(=O)OC)c1)N2
ir: 2 3 3 2 6 15 3 1 8 9 4 2 1 1 2 2 6 2 4 2 1 1 2 1 1 1 1 2 2 3 1 0 2 2 1 1 5 1 2 0 1 2 5 1 1 1 2 5 2 1 1 0 1 1 10 8 1 6 1 0 1 2 1 1 1 2 6 3 12 2 2 1 1 1 1 1 2 1 1 1 2 4 3 29 9 10 3 9 2 2 4 3 2 3 1 2 3 2 3 1 3 2 3 1 1 1 0 1 2 2 5 3 2 1 2 6 4 15 6 5 2 4 1 1 1 6 1 3 3 1 1 1 3 0 0 1 1 1 3 35 15 19 2 1 2 18 9 5 1 1 1 1 11 7 3 7 6 2 1 1 1 1 1 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 3 3 8 5 10 21 14 8 4 4 1 2 7 100 16 2 2 1 1 1 1 1 1 1 2 7 6 2 4 9 10 11 2 3 3 1 0 1 1 1 1 4 2 1 0 0 1 1 1 0 1 0 0 1 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 6 20 | 79 78 dd 1H J 20 92 | 73 73 t 1H J 71 | 71 71 dq 1H J 10 74 | 70 70 d 1H J 92 | 69 69 q 1H J 9 | 69 68 dt 1H J 12 70 | 50 49 m 1H | 49 49 m 1H | 45 44 d 1H J 77 | 39 39 s 3H | 38 37 s 3H | 35 35 d 1H J 53 | 15 15 s 5H | 11 11 t 3H J 15 | 11 11 t 3H J 15
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](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(Cl)nc(-c4cc(Cl)cnc4F)c32)CC1
ir: 3 3 2 2 2 4 3 3 2 2 3 5 3 2 2 3 2 3 5 3 2 5 3 3 2 2 6 3 2 2 2 4 3 7 3 4 5 6 8 11 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 10 7 4 3 2 2 2 2 3 2 3 2 2 2 2 5 3 2 2 2 3 2 3 2 2 2 2 2 5 2 3 4 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 3 3 3 2 2 3 2 4 3 10 3 3 4 2 3 26 6 4 3 4 3 2 2 3 2 2 3 3 3 3 3 4 6 4 3 3 2 2 4 2 2 11 3 3 0 4 9 100 8 3 0 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 3 3 4 3 5 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 2 2 2 2; 1HNMR: 83 83 dd 1H J 17 34 | 81 81 dd 1H J 16 33 | 75 74 s 1H | 43 42 dd 1H J 69 150 | 41 41 m 1H | 41 40 dq 1H J 18 37 | 40 40 m 1H | 40 39 m 2H | 39 38 m 1H | 37 36 tdt 1H J 18 33 52 | 21 20 m 1H | 19 15 m 8H | 15 13 m 5H | 12 11 dddd 2H J 49 73 82 119 | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2ncccc2[nH]1
ir: 4 4 4 4 5 4 5 4 3 5 6 8 5 12 9 10 3 7 9 5 0 36 100 11 10 2 2 6 6 3 3 6 15 4 4 9 6 3 5 5 5 4 4 10 5 3 4 7 5 3 15 6 5 3 4 5 4 3 4 5 4 5 14 7 4 3 4 5 4 3 5 5 4 3 5 5 12 22 8 6 4 4 5 5 4 4 8 6 15 5 5 5 4 4 5 4 5 11 5 5 3 4 5 4 3 4 6 6 4 4 5 4 3 4 8 7 3 4 5 4 3 5 11 15 6 5 6 5 4 4 5 4 4 4 5 6 5 6 5 4 4 5 9 7 6 6 5 4 5 26 5 4 4 5 9 10 4 5 4 15 5 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 4 7 5 6 6 15 5 4 4 4 5 5 21 5 4 4 4 4 5 4 4 4 4 4 4 8 8 8 5 26 11 11 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 87 87 dd 1H J 21 41 | 79 78 dd 1H J 21 79 | 74 73 dd 1H J 42 79 | 71 71 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](n1nccn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1
ir: 5 6 6 5 5 5 5 7 6 5 5 6 6 8 5 7 7 5 11 7 5 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 11 8 5 5 6 6 5 6 6 15 16 9 7 8 6 8 6 0 100 45 12 13 8 7 7 9 7 4 8 9 4 6 6 8 6 5 6 11 8 5 6 7 8 8 9 6 15 7 5 6 7 12 10 6 5 6 12 6 8 30 24 8 6 6 8 17 10 10 6 6 5 6 6 6 5 5 5 6 6 6 6 7 7 12 12 11 8 12 8 6 5 9 8 8 14 6 6 7 9 8 6 5 5 5 5 5 5 5 5 5 5 8 12 19 6 7 7 8 15 9 5 5 5 5 5 5 5 5 5 15 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 5 5 5 4 5 5 8 6 5 5 5 5 5 7 6 7 8 10 12 15 9 10 17 79 39 49 17 10 5 6 9 13 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 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 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5; 1HNMR: 82 82 dt 1H J 8 17 | 78 78 d 1H J 16 | 77 76 s 2H | 74 74 m 2H | 71 70 m 2H | 51 51 dd 1H J 9 145 | 50 50 q 1H J 45 | 48 48 dd 1H J 7 145 | 45 45 s 1H | 15 15 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C(=O)O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
ir: 1 2 1 1 1 1 2 1 2 4 4 9 6 4 2 7 15 14 15 22 30 100 66 12 5 3 4 8 17 20 6 4 1 1 1 3 2 0 4 18 16 16 6 1 2 1 2 3 1 1 2 2 4 7 21 8 10 2 2 3 4 2 2 2 3 4 3 4 2 3 4 1 1 3 4 3 16 68 42 11 2 1 3 6 9 3 4 10 11 5 3 3 1 0 2 2 0 1 4 7 2 1 1 1 1 1 2 1 3 4 8 6 5 4 5 8 4 3 4 5 6 5 8 3 6 2 3 3 2 9 13 19 6 3 3 1 1 2 3 1 3 4 48 33 30 28 15 5 2 17 13 27 5 5 3 2 1 1 1 1 1 0 9 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 2 1 2 1 1 1 1 1 1 1 3 8 5 15 29 18 15 6 3 3 3 3 2 3 12 14 4 2 1 1 1 1 1 2 1 3 2 5 18 28 10 9 2 2 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 m 2H | 76 76 t 1H J 49 | 75 75 m 2H | 73 72 m 2H | 70 70 dp 2H J 9 73 | 35 34 q 2H J 52 | 29 29 tt 2H J 9 53 | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cccc(C(C)(C)F)c1
ir: 1 4 11 7 6 3 7 2 2 2 4 1 2 2 6 4 4 6 6 2 8 8 10 7 6 6 7 7 7 5 8 7 7 9 38 24 8 13 13 8 100 25 21 8 4 1 2 2 3 2 2 3 3 6 4 6 4 10 3 1 2 4 4 4 3 4 5 8 19 11 7 13 5 8 2 6 5 6 4 3 11 11 17 3 2 2 3 2 2 2 1 7 2 12 3 2 4 10 5 13 3 3 1 2 16 2 2 2 4 3 8 7 41 5 5 12 8 5 3 6 12 6 4 11 5 8 2 7 7 9 7 5 5 2 2 7 3 5 15 53 58 3 5 2 6 13 2 15 10 26 17 7 13 53 21 5 2 3 3 15 3 2 2 2 6 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 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 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 1 1 2 1 2 4 4 4 6 23 4 31 36 58 37 40 6 20 5 2 1 2 2 2 1 2 3 1 1 2 3 1 3 7 6 6 28 14 9 4 5 4 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 89 d 1H J 20 | 87 86 dd 1H J 17 48 | 83 83 dt 1H J 18 84 | 81 81 s 1H | 80 80 td 1H J 9 21 | 79 79 ddd 1H J 14 21 73 | 77 77 dd 1H J 48 85 | 77 76 d 1H J 46 | 75 74 m 2H | 71 71 d 1H J 44 | 70 70 d 1H J 9 | 70 70 s 1H | 22 22 s 3H | 21 21 s 3H | 20 20 s 3H | 19 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)cccc1NC(=S)NCC(N)=O
ir: 1 2 3 4 1 2 4 2 2 3 16 9 2 9 7 11 3 6 5 3 2 4 4 5 2 8 12 37 10 20 7 11 7 11 8 13 21 100 63 12 7 7 4 4 2 5 4 25 5 3 5 1 2 2 3 2 2 2 4 4 2 2 2 1 2 2 2 2 3 2 3 6 2 2 3 3 5 6 2 3 3 4 2 3 3 3 3 3 2 3 4 4 4 3 1 2 5 4 2 3 9 17 4 2 3 2 3 3 3 7 14 2 3 2 1 2 3 3 2 3 2 2 5 6 4 21 11 4 3 2 3 3 4 2 2 3 4 10 9 5 5 28 14 52 9 6 11 17 3 3 74 10 5 3 5 2 8 29 64 9 4 0 2 5 3 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 3 1 3 3 3 2 4 5 6 34 20 5 3 3 2 3 2 3 2 3 2 2 3 3 4 4 6 24 9 3 4 4 10 14 34 25 13 9 5 15 28 2 3 3 1 2 3 2 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 94 93 s 1H | 91 91 t 1H J 52 | 74 73 dd 1H J 11 82 | 73 73 dd 1H J 11 79 | 72 71 t 1H J 81 | 69 68 s 2H | 41 41 d 2H J 53 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.