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O=C(Nc1c(Cl)cccc1Cl)C1c2ccccc2COc2ccc(Br)cc21
ir: 2 5 1 1 3 2 1 1 2 4 1 2 9 4 2 8 4 2 2 6 3 2 3 4 3 5 5 7 8 2 2 5 6 9 5 8 8 12 11 7 8 22 9 4 3 12 42 8 2 1 2 10 9 3 4 7 2 1 4 2 3 1 2 5 3 3 12 10 2 1 1 7 1 2 4 3 1 1 1 2 1 1 17 2 1 1 5 4 9 10 4 10 4 8 7 6 1 4 5 13 4 2 2 2 1 2 1 1 0 1 2 2 0 1 2 1 1 1 2 1 3 5 1 1 1 1 1 2 3 26 2 1 1 1 2 1 3 9 6 8 3 18 10 7 9 4 9 42 100 11 7 4 8 5 3 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 3 3 4 6 11 24 44 35 4 7 5 1 1 2 3 1 1 2 2 2 1 2 7 1 1 4 3 5 4 8 9 48 44 7 3 3 2 3 2 1 2 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 89 88 s 1H | 76 76 dd 1H J 6 21 | 75 74 m 3H | 75 74 dd 1H J 22 88 | 74 73 dddd 2H J 7 17 87 105 | 73 72 m 2H | 70 69 d 1H J 89 | 56 56 d 1H J 10 | 52 51 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(CCC1CCNCC1)c1cc(-c2ccccc2)nc2ccccc12
ir: 4 3 1 2 2 3 6 4 9 3 5 2 3 2 3 3 2 2 2 2 1 7 3 4 7 10 6 2 4 7 30 4 6 4 2 2 2 2 2 7 3 15 20 100 20 16 49 17 7 2 2 4 4 0 7 31 5 4 4 13 3 6 5 3 6 3 11 19 3 5 9 6 6 14 6 5 3 2 5 25 4 3 2 2 5 9 4 4 10 30 29 11 4 5 3 2 2 2 2 1 2 2 5 5 4 2 2 2 4 4 5 6 11 14 38 28 20 9 3 12 6 8 2 5 6 4 6 40 5 8 6 4 3 2 2 4 4 52 4 1 2 2 16 17 29 1 3 3 6 4 11 15 3 1 1 3 15 6 13 5 1 2 3 12 6 6 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 4 4 2 4 2 1 1 1 2 2 3 3 7 7 20 61 33 33 7 5 4 3 4 63 4 3 2 1 1 1 1 1 1 3 7 33 18 7 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H | 80 79 ddd 3H J 15 75 104 | 76 75 td 1H J 13 71 | 75 74 m 3H | 74 73 m 1H | 72 72 d 1H J 8 | 51 51 m 1H | 35 35 d 1H J 53 | 32 31 p 1H J 40 | 28 27 dddd 2H J 27 39 53 134 | 27 26 dddd 2H J 27 39 53 136 | 20 19 dtd 1H J 64 87 137 | 18 17 dtd 1H J 64 87 137 | 17 16 m 1H | 17 16 m 1H | 16 15 dq 1H J 58 68 | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)C(C)(C)COc1cccc2nc(C)c(C(=O)OCC)c(N)c12
ir: 1 2 22 12 4 5 3 4 2 4 13 8 9 4 12 6 5 9 3 4 3 8 7 13 8 3 1 2 6 6 4 4 3 6 13 2 10 11 6 2 3 3 2 2 2 3 4 1 1 1 1 3 2 5 5 8 14 4 2 1 2 2 1 1 3 4 3 5 6 10 2 2 2 2 2 2 2 1 3 4 4 4 8 7 5 2 1 2 3 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 8 3 2 4 2 2 1 1 3 2 2 2 5 7 3 2 1 1 2 2 2 3 4 8 3 2 1 1 1 4 5 4 36 5 8 8 3 6 31 20 8 2 3 2 8 5 2 2 20 15 5 0 5 100 14 63 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 6 8 3 3 14 11 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 4 77 4 4 5 6 12 6 4 4 2 5 9 64 27 6 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: 75 75 dd 1H J 13 75 | 74 73 dd 1H J 75 84 | 69 69 s 2H | 69 68 dd 1H J 13 84 | 64 63 t 1H J 45 | 43 42 m 4H | 31 31 q 2H J 49 | 27 27 s 3H | 16 15 qt 3H J 49 73 | 14 14 t 3H J 64 | 12 12 s 5H | 9 8 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C(=O)O)c1csc(NC=O)n1
ir: 1 3 3 2 1 1 2 1 1 1 2 3 4 3 2 4 7 4 1 4 6 48 53 20 7 9 15 6 5 8 8 4 1 2 2 1 1 2 2 1 3 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 2 1 4 2 2 2 3 14 4 16 8 3 2 2 3 54 26 23 9 4 1 0 12 6 5 5 4 2 1 2 2 2 0 1 2 3 9 4 2 4 2 3 3 15 11 6 6 2 3 6 4 2 1 1 2 1 1 1 2 1 1 2 1 1 1 3 4 50 1 1 3 1 9 3 3 1 1 1 2 2 9 100 4 1 0 2 4 30 2 2 2 1 1 10 1 1 2 3 1 2 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 2 3 4 11 2 1 1 3 56 42 3 2 1 2 1 1 1 2 2 2 15 5 69 77 6 7 2 1 2 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 87 86 d 2H J 55 | 70 70 s 1H | 40 40 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1
ir: 3 4 2 4 2 3 1 4 1 37 3 6 0 4 3 2 2 3 2 1 2 11 100 9 16 4 1 2 2 2 4 2 7 1 1 1 1 1 2 2 25 3 3 2 1 2 3 3 1 1 1 1 1 2 2 1 1 2 8 10 1 1 2 1 5 3 1 1 4 2 2 1 2 3 2 4 11 4 2 5 6 1 5 2 2 20 2 3 4 18 23 4 9 3 2 1 1 3 4 2 3 2 2 7 2 2 1 1 1 1 1 1 1 1 1 1 2 12 1 1 2 2 4 3 13 2 1 1 1 1 1 3 2 1 3 7 2 2 2 1 2 3 3 5 19 4 3 2 2 4 4 0 3 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 4 11 16 10 5 3 1 1 2 1 2 3 4 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: 87 86 t 1H J 18 | 86 86 t 1H J 22 | 82 82 d 1H J 92 | 80 80 dd 1H J 15 84 | 80 79 m 2H | 74 72 m 11H | 45 45 d 4H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc(OC(=O)c2ccc(OC(=O)C(Cl)C(C)C)c(Cl)c2)cc1
ir: 17 15 10 18 16 5 4 5 8 3 2 6 9 2 4 6 5 6 3 14 9 2 1 1 2 2 2 1 1 1 8 6 5 3 4 6 2 3 2 2 4 2 3 3 4 3 2 3 3 5 2 0 3 25 13 81 58 4 6 4 5 1 6 7 3 4 5 10 19 18 1 0 1 0 1 2 2 1 1 1 1 2 1 2 1 3 1 8 8 3 2 12 12 9 2 4 4 7 1 6 8 2 3 6 8 30 7 4 12 5 7 5 3 2 3 5 5 9 7 17 3 7 3 10 7 15 15 7 1 4 4 5 1 1 1 0 1 2 2 4 9 13 12 100 51 7 1 6 29 6 11 14 22 8 6 4 2 1 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 3 1 1 3 1 2 2 2 2 5 4 4 4 13 23 15 30 56 47 6 6 4 2 2 2 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 21 | 80 79 dd 1H J 22 86 | 72 72 d 1H J 86 | 71 71 m 2H | 71 70 dt 2H J 9 86 | 43 42 ddq 1H J 15 29 72 | 26 26 tt 2H J 9 77 | 24 23 dhept 1H J 59 71 | 15 14 m 2H | 14 13 m 4H | 11 11 dd 3H J 15 59 | 11 10 dd 3H J 15 59 | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc2c(c1)CCCCN2C1CCNC1
ir: 0 1 1 1 1 4 4 8 3 2 2 4 3 2 1 5 3 3 16 5 1 2 2 1 2 1 2 2 2 4 1 2 1 2 1 2 5 4 4 5 4 2 2 10 6 3 2 11 7 5 5 11 6 10 21 23 10 6 17 10 9 7 10 20 15 11 22 12 20 24 7 8 9 14 6 4 2 2 2 1 3 5 18 16 11 18 4 11 3 3 2 4 5 2 4 3 3 4 2 1 3 2 3 3 5 16 99 17 12 8 6 12 23 49 23 17 26 15 7 6 7 7 12 6 6 5 3 2 4 1 4 2 2 1 1 9 4 1 1 2 1 0 0 4 51 8 1 2 12 9 10 2 8 9 1 1 1 1 1 1 1 5 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 1 0 1 1 1 2 1 2 2 6 2 3 3 2 2 3 0 3 6 25 7 9 56 29 10 8 9 2 6 2 1 1 1 1 0 2 2 1 4 5 4 48 100 14 2 3 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dd 1H J 22 88 | 71 70 dt 1H J 9 21 | 68 68 d 1H J 87 | 39 38 tt 1H J 29 50 | 34 33 m 1H | 33 32 m 2H | 32 32 dt 1H J 31 115 | 31 30 dtd 1H J 24 37 132 | 30 29 dt 1H J 31 118 | 28 27 m 2H | 22 21 m 1H | 21 21 p 1H J 33 | 19 18 m 1H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C1CCOc2ccc(-c3cnn(-c4cccnc4)c3)nc21
ir: 2 4 15 16 4 6 4 16 4 15 5 6 10 15 4 2 4 5 8 4 6 8 2 3 2 3 11 3 5 5 15 15 5 14 51 14 6 6 9 65 6 9 2 2 2 5 3 5 3 4 8 14 5 44 24 5 5 4 2 2 4 6 6 5 25 13 9 6 11 14 24 3 4 3 3 2 3 7 8 18 4 8 2 1 2 3 1 1 2 10 6 17 5 3 3 21 3 3 6 6 5 19 4 3 3 2 2 3 3 4 3 4 57 10 11 5 7 6 12 12 7 9 12 33 6 3 2 2 4 3 2 4 11 16 20 8 8 40 0 16 13 5 94 16 6 1 2 4 4 2 9 100 14 8 34 5 4 2 2 3 15 5 15 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 1 3 3 5 2 5 5 3 5 3 5 4 14 16 15 22 69 15 9 19 23 12 5 3 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 90 90 t 1H J 17 | 85 84 ddd 1H J 14 21 36 | 84 83 s 1H | 83 82 s 1H | 79 78 dt 1H J 20 71 | 78 78 d 1H J 84 | 75 75 dd 1H J 37 72 | 75 74 d 1H J 84 | 44 44 t 2H J 52 | 40 40 s 2H | 31 31 t 2H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)C(CS)Cc2ccccc2)cc(C(=O)O)c1
ir: 2 1 1 1 0 0 0 0 0 0 6 4 1 1 3 2 7 5 5 5 2 71 100 10 6 2 1 2 4 10 17 4 3 6 2 1 1 16 10 6 4 11 4 4 2 2 3 7 4 1 2 1 2 1 0 0 0 0 0 1 0 1 2 1 1 0 1 5 4 5 2 2 3 5 5 1 3 11 9 1 0 1 0 0 1 2 1 3 1 4 1 0 0 0 1 1 1 7 5 2 0 1 3 5 35 6 2 0 1 1 3 1 1 0 0 1 1 4 0 1 1 1 1 1 2 1 1 2 3 2 2 1 1 0 1 3 0 0 0 1 1 2 4 4 4 14 10 3 2 1 0 1 2 3 1 0 0 0 0 0 1 1 11 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 2 2 8 7 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 7 9 45 10 1 1 1 1 0 1 1 7 9 1 1 0 0 0 0 0 0 0 0 1 2 18 22 7 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 82 81 t 1H J 21 | 78 78 t 1H J 22 | 77 76 t 1H J 21 | 73 72 m 1H | 73 72 s 4H | 32 31 m 2H | 29 28 m 2H | 27 26 m 1H | 24 23 s 3H | 17 16 t 1H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)c1ccc(-c2ccc(C#N)n2C)cc1OC(F)(F)F
ir: 2 11 10 21 12 29 31 23 16 8 2 8 13 26 27 3 5 4 12 4 4 8 4 2 3 5 3 4 7 17 4 3 8 7 14 26 23 9 11 6 8 6 3 1 2 2 3 0 1 2 1 0 2 8 41 14 28 27 16 17 34 20 6 6 8 31 37 14 33 13 10 3 4 4 3 2 2 7 7 3 7 16 6 60 84 26 13 33 56 97 32 100 26 8 7 5 16 23 52 37 14 30 39 5 20 37 4 5 6 5 1 2 4 4 2 10 3 4 7 4 6 8 7 3 5 9 3 1 2 2 2 4 2 3 4 5 4 7 3 2 3 11 3 2 2 2 4 8 44 19 3 3 5 13 13 8 4 1 1 2 2 1 1 3 27 2 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 11 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 4 2 2 1 2 2 1 1 3 2 2 4 7 5 4 11 10 19 38 66 26 30 12 4 4 2 2 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 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; 1HNMR: 78 78 d 1H J 88 | 76 76 dd 1H J 18 88 | 75 74 d 1H J 17 | 71 70 d 1H J 57 | 64 63 d 1H J 57 | 37 37 s 3H | 28 28 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(CCCO)n(Cc2ccc3ccccc3n2)n1
ir: 6 4 12 4 7 3 3 9 10 8 9 26 11 7 1 6 6 1 0 5 5 1 0 6 9 3 1 4 5 3 2 4 7 1 1 3 4 1 3 7 5 2 42 11 5 7 6 17 29 4 5 9 9 5 41 4 28 5 5 5 3 0 10 4 3 0 4 5 8 7 10 8 5 21 17 23 4 8 11 5 6 6 14 11 7 4 13 17 18 54 29 18 9 5 13 9 19 9 9 4 3 11 8 3 5 10 9 7 7 4 8 3 2 3 5 6 6 8 8 6 8 6 8 4 1 3 5 3 5 9 15 8 5 4 9 22 32 18 9 9 4 13 40 9 30 5 12 11 27 31 4 1 1 6 7 7 100 2 1 3 2 1 1 2 1 21 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 8 5 6 6 11 10 7 2 5 10 5 0 11 25 21 23 39 73 33 59 15 5 4 7 29 69 8 9 7 7 3 2 3 3 3 2 3 2 2 1 2 2 2 3 3 3 2 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 82 82 m 1H | 80 80 m 1H | 79 79 td 2H J 8 69 | 78 77 td 1H J 12 76 | 75 75 td 1H J 11 77 | 56 56 d 3H J 10 | 51 50 hept 1H J 61 | 37 36 m 3H | 27 27 td 2H J 8 79 | 19 19 m 2H | 14 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)S(=O)(=O)NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
ir: 3 7 4 5 34 6 6 8 7 6 9 5 9 5 3 3 10 21 4 7 4 0 9 2 2 4 3 7 4 3 3 2 2 3 6 3 9 5 6 6 7 12 15 17 10 4 5 3 3 3 4 4 21 25 90 43 9 6 7 5 8 5 9 5 7 5 18 21 13 61 13 8 4 6 5 15 24 4 6 6 10 5 10 53 23 22 28 19 9 6 5 4 6 6 4 11 21 10 9 17 29 12 22 14 29 23 5 9 7 5 5 8 54 12 7 10 8 5 9 9 21 7 5 6 9 8 5 7 4 5 5 5 4 7 3 8 9 4 2 3 4 4 10 6 5 3 3 5 4 17 3 3 4 3 4 4 3 2 3 5 3 3 4 7 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 2 3 3 3 4 4 3 5 4 4 4 4 3 4 3 4 4 7 24 12 16 100 35 9 4 4 4 4 3 2 3 3 3 2 3 3 2 3 3 4 4 6 72 24 8 6 4 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 80 79 m 2H | 78 78 dq 2H J 14 117 | 72 71 m 3H | 46 46 d 1H J 90 | 34 33 dp 1H J 51 90 | 25 24 ddd 2H J 70 97 152 | 23 22 ddd 2H J 70 98 150 | 21 20 m 2H | 20 19 m 2H | 12 11 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-n2cnc3c(C#N)cccc32)c1
ir: 2 7 8 3 11 3 3 1 1 2 16 2 1 1 3 4 3 1 2 1 0 2 2 2 0 2 2 1 0 3 2 2 1 8 7 2 2 2 2 2 24 8 8 55 12 6 16 7 7 10 1 7 1 1 1 1 1 4 5 6 1 2 1 1 1 2 5 12 2 3 2 6 5 3 1 3 2 1 2 2 2 3 4 1 1 1 1 2 10 3 2 8 5 2 1 40 2 3 15 6 6 3 0 2 2 2 1 1 2 2 10 1 4 2 4 2 2 1 0 1 2 1 1 11 4 2 2 2 2 2 2 2 1 1 1 1 2 2 4 3 18 4 10 3 2 1 1 2 3 1 0 4 11 1 1 2 5 0 0 16 1 1 7 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 24 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 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 2 2 4 2 2 3 10 12 100 45 6 7 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 84 83 dd 1H J 12 65 | 79 78 dd 1H J 13 69 | 76 76 m 1H | 73 72 m 3H | 70 70 m 1H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C[C@@H](C)[C@H]1C3=CCC(=O)[C@@]3(C)CC[C@H]21
ir: 3 3 2 4 5 7 13 4 4 6 3 3 3 3 1 6 11 4 5 14 33 10 14 13 7 5 4 8 7 2 2 2 3 2 3 3 3 3 3 2 2 2 2 5 3 2 3 2 3 1 4 7 10 62 51 2 5 17 24 6 10 3 4 6 10 6 34 65 5 8 6 45 12 7 4 6 8 7 3 2 2 2 3 3 2 3 14 4 6 6 10 11 6 12 21 21 13 12 34 29 8 5 19 7 6 6 8 14 15 14 7 5 14 21 6 6 6 7 18 9 10 6 17 32 31 9 8 10 6 8 7 4 3 3 1 4 4 2 4 7 5 1 4 100 77 22 7 0 1 6 12 100 9 14 15 4 10 7 4 2 2 5 20 3 3 3 3 1 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 3 2 5 5 4 4 5 6 17 11 7 6 8 7 14 15 68 17 27 65 69 42 10 4 3 6 3 2 3 3 3 2 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 71 70 dd 1H J 7 86 | 68 67 dd 1H J 21 85 | 67 66 dt 1H J 9 19 | 57 56 td 1H J 17 53 | 38 38 s 2H | 32 32 ddd 1H J 9 53 178 | 31 31 ddd 1H J 10 53 178 | 30 30 m 1H | 29 29 ddd 1H J 9 46 143 | 27 26 ddd 1H J 8 72 143 | 24 24 dddt 1H J 10 19 53 91 | 22 21 m 2H | 20 19 m 2H | 18 17 m 1H | 12 12 s 2H | 10 10 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc3c(c2o1)OC(CN1CCCCC1)CO3
ir: 12 2 0 1 1 1 2 15 11 6 1 1 1 0 1 1 1 1 0 0 1 2 3 2 2 1 0 0 0 4 1 1 3 2 0 1 0 0 0 0 1 1 8 2 1 1 0 1 1 2 1 0 1 5 22 64 7 0 2 2 1 1 2 3 3 0 1 1 2 0 2 4 2 1 7 3 9 8 2 3 100 6 1 0 2 9 10 1 2 2 2 2 1 1 1 1 0 1 2 1 3 7 5 2 2 2 2 2 2 1 2 1 1 1 3 1 1 1 1 3 2 1 1 2 5 11 6 3 2 2 2 3 3 3 1 3 2 7 7 1 0 1 2 23 43 1 0 1 1 2 0 0 0 1 2 1 1 0 0 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 0 0 1 1 1 1 1 2 2 2 3 2 3 2 2 1 2 4 9 2 6 9 16 4 9 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 1H J 82 | 69 69 d 1H J 82 | 47 46 p 1H J 44 | 44 44 dd 1H J 43 116 | 42 41 dd 1H J 43 116 | 32 32 dd 1H J 44 121 | 31 30 dd 1H J 44 121 | 27 25 m 4H | 26 26 s 3H | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1NCc1ccnc(NC(=O)N(C)C)c1
ir: 6 5 0 3 7 3 3 3 13 6 2 3 2 3 1 2 2 3 9 5 10 14 22 14 11 7 12 14 8 4 4 6 5 3 4 5 4 8 17 23 63 27 59 63 6 5 5 2 3 3 1 2 1 2 6 1 1 1 2 3 3 1 2 4 3 13 6 26 11 3 3 2 2 2 5 4 3 1 2 1 8 3 2 5 1 2 2 1 2 18 14 4 3 4 1 1 4 3 3 2 7 2 2 1 0 0 1 1 0 2 2 8 7 13 2 3 2 3 11 5 8 6 5 5 5 4 2 8 4 7 6 9 41 4 2 7 1 10 16 2 1 4 5 4 7 8 3 8 40 27 54 8 53 61 9 14 39 47 2 5 25 27 7 2 1 1 1 0 1 1 0 0 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 4 5 18 47 34 6 5 3 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 9 8 11 8 17 100 39 37 13 8 6 4 3 2 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 91 91 s 1H | 83 82 d 1H J 44 | 78 78 dd 1H J 16 81 | 76 75 t 1H J 56 | 73 73 td 1H J 15 79 | 72 71 m 2H | 71 71 dd 1H J 11 21 | 66 66 dd 1H J 14 79 | 48 47 dt 2H J 9 56 | 39 38 s 3H | 30 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)CC(=O)O)c2ccn(C(=O)c3ccc(O)c(C(C)C)c3)c12
ir: 2 2 1 1 2 2 3 3 8 4 3 3 3 6 1 2 2 2 2 3 3 3 29 8 4 6 5 10 9 4 3 6 3 5 9 7 5 3 3 7 11 8 4 3 3 2 3 2 2 1 2 2 3 6 9 7 9 2 3 4 1 2 1 1 1 1 3 2 5 2 2 1 2 2 2 1 3 4 6 11 11 4 3 3 1 2 2 2 5 5 2 4 6 3 2 1 2 2 4 1 2 2 3 3 3 2 2 2 3 11 1 5 1 1 1 1 1 2 2 2 3 8 7 4 2 4 6 7 2 5 3 2 3 1 1 1 2 1 1 2 3 2 16 20 6 4 10 16 13 3 4 10 3 3 3 2 6 8 2 2 1 3 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 1 1 1 3 4 2 6 6 5 14 13 10 9 1 2 4 2 9 100 30 6 5 3 0 2 2 1 1 2 2 1 2 6 11 9 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 dd 1H J 10 19 | 78 77 dd 1H J 20 88 | 77 76 d 1H J 49 | 74 73 d 1H J 72 | 73 72 dq 1H J 9 71 | 71 70 d 1H J 51 | 69 69 d 1H J 88 | 53 53 s 1H | 34 34 s 2H | 33 32 hd 1H J 9 69 | 25 25 d 3H J 11 | 12 12 d 7H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)n1cc(Br)ccc1=O
ir: 2 6 5 24 8 1 2 1 1 5 4 3 1 5 6 11 2 10 5 1 1 1 2 1 1 1 1 6 2 1 1 1 2 1 0 0 0 0 1 4 24 26 6 6 1 1 2 0 1 2 1 0 1 2 1 1 100 60 12 3 2 1 2 2 7 10 5 7 6 3 1 5 13 14 3 7 5 2 1 1 1 2 5 16 3 2 3 5 1 1 1 1 2 3 5 4 7 5 4 2 3 1 1 1 2 10 10 2 1 2 3 17 22 7 9 5 3 9 13 38 15 5 6 2 1 1 4 1 3 7 10 6 5 7 3 5 3 3 5 24 27 4 5 6 35 10 37 88 10 6 1 4 3 2 13 11 2 1 1 1 2 2 29 5 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 3 2 1 1 1 1 2 2 3 4 11 5 8 4 16 23 5 3 8 10 21 21 20 7 5 2 1 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 16 | 74 74 dd 1H J 15 95 | 67 66 d 1H J 95 | 50 49 qd 1H J 18 81 | 42 41 m 2H | 15 15 d 3H J 81 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21
ir: 3 3 4 5 3 3 2 3 6 5 8 12 37 19 5 15 16 4 5 7 18 12 12 12 13 18 7 4 2 4 7 9 8 11 7 3 5 4 3 13 21 9 3 1 1 2 2 4 3 5 2 0 2 2 5 4 33 6 2 1 17 4 10 3 3 3 1 2 6 23 13 4 2 3 1 1 2 2 1 4 4 6 4 1 3 8 96 8 1 2 1 2 14 5 3 4 5 2 1 3 7 11 11 2 3 5 5 2 2 1 0 2 8 6 3 3 2 3 4 6 12 24 4 12 8 6 1 3 4 1 2 6 28 36 2 6 4 35 3 2 2 4 100 7 3 1 0 5 17 28 6 6 14 39 8 3 3 3 1 2 1 1 1 4 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 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 1 1 1 3 2 1 11 4 19 27 12 5 16 12 17 17 1 1 1 2 1 0 2 2 1 0 1 2 1 2 1 3 2 2 24 18 43 14 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H | 74 74 d 1H J 60 | 72 71 d 2H J 17 | 70 70 dt 1H J 8 17 | 69 69 d 1H J 60 | 41 41 m 2H | 31 30 td 2H J 7 42 | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1oc2ccccc2cc1CO
ir: 6 21 7 7 9 15 22 22 11 15 6 7 5 5 3 4 4 3 3 5 6 30 38 18 3 6 6 3 2 3 7 10 6 1 5 18 12 2 2 4 12 44 55 32 3 3 5 10 5 15 13 7 5 5 3 3 6 3 3 2 2 1 4 5 5 1 1 2 13 7 2 2 3 9 9 11 2 0 11 10 11 1 5 7 19 26 61 23 32 80 56 34 9 13 21 14 9 7 5 6 3 41 44 7 3 3 2 4 2 6 2 2 1 2 3 2 0 1 2 1 2 3 6 8 6 3 3 3 3 6 9 17 14 10 7 5 21 6 3 1 4 5 4 2 3 34 49 23 36 49 1 3 3 9 10 11 2 3 1 1 1 1 14 24 2 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 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 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 1 0 3 8 7 15 12 100 46 36 20 3 14 28 53 67 59 11 6 7 2 3 2 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 79 78 t 1H J 13 | 75 75 dd 1H J 16 77 | 74 74 ddd 1H J 16 75 82 | 73 72 m 2H | 44 44 dd 2H J 13 60 | 42 41 t 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)CCCc2c1cc1c3c(cccc23)CC1
ir: 9 6 5 3 2 2 1 3 4 1 1 3 5 6 2 2 2 2 2 2 2 2 2 0 0 0 1 0 1 1 1 0 1 1 1 1 1 0 1 4 1 1 8 17 17 36 29 6 2 1 2 2 1 1 1 1 1 3 2 3 1 2 5 5 3 2 6 8 4 13 6 4 5 0 2 4 16 28 13 6 9 4 2 1 1 3 7 20 9 15 45 51 4 8 7 4 6 5 2 2 2 12 24 11 17 3 1 1 1 3 11 11 10 4 19 2 2 2 4 5 4 4 4 4 4 2 8 6 2 1 5 11 4 1 3 14 3 1 4 5 0 1 1 1 3 10 6 3 1 0 5 1 1 1 0 0 1 2 0 0 2 3 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 1 1 0 1 1 1 1 1 3 5 3 1 2 2 2 2 3 29 34 16 18 100 55 6 5 5 3 2 2 16 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 13 79 | 73 73 t 1H J 79 | 73 72 m 1H | 70 69 d 1H J 11 | 34 33 s 1H | 33 31 m 2H | 32 32 s 4H | 22 21 ddd 1H J 60 84 135 | 20 18 m 3H | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
ir: 1 1 4 3 3 7 2 2 4 3 9 5 60 23 8 2 4 21 20 4 6 10 4 6 13 2 3 0 0 4 12 100 41 7 8 7 2 2 3 11 40 73 13 1 6 10 8 3 2 3 2 2 18 12 1 1 4 3 1 1 7 2 2 11 2 3 21 8 8 3 17 11 9 7 11 2 8 5 37 5 5 2 2 12 5 4 1 1 3 1 1 1 6 4 10 7 2 4 7 2 3 7 11 15 11 3 12 11 17 3 7 5 19 6 9 7 5 6 13 4 3 7 39 24 6 5 1 6 5 8 24 89 13 77 4 2 4 7 2 9 2 0 0 2 4 5 16 1 1 5 3 31 6 3 35 10 1 1 1 2 4 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 13 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 3 2 1 2 3 5 2 2 3 6 8 5 9 5 7 4 5 7 18 23 23 21 16 6 43 57 9 4 5 1 2 2 2 1 1 1 1 1 0 1 1 0 0 1 1 4 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 91 91 s 1H | 76 76 d 1H J 55 | 72 71 d 1H J 53 | 46 45 dddd 1H J 17 35 46 62 | 41 40 m 2H | 39 39 dd 1H J 44 103 | 28 27 dd 1H J 47 109 | 27 27 s 2H | 25 25 dd 1H J 47 109 | 21 21 m 1H | 20 19 m 2H | 18 17 ddt 1H J 52 80 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(O)ccc(C(C)=O)c1O
ir: 0 2 3 2 1 6 9 1 1 3 5 3 2 5 7 9 10 5 16 7 4 6 5 3 7 6 5 3 9 35 9 6 9 17 17 100 54 12 8 3 6 5 9 33 18 16 8 4 2 4 3 6 7 10 18 3 4 3 4 0 3 4 2 4 7 4 2 9 12 23 11 8 7 8 8 2 4 4 6 41 31 5 8 10 27 34 31 2 5 9 43 38 11 48 58 32 13 13 5 3 3 5 2 6 12 19 22 24 5 12 6 8 5 2 2 2 3 3 6 4 4 2 3 7 23 18 5 4 3 1 1 2 2 11 10 4 3 1 1 2 5 14 41 28 6 1 3 2 3 4 2 3 3 4 17 22 2 1 2 3 8 4 3 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 0 1 2 1 1 1 2 2 1 1 3 2 0 2 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 2 3 1 2 6 6 1 1 2 2 1 1 5 2 2 4 7 6 5 15 12 5 45 33 16 50 82 67 18 10 57 58 26 6 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 76 76 s 1H | 76 75 d 1H J 88 | 66 65 d 1H J 88 | 29 28 q 2H J 71 | 26 26 s 3H | 13 13 t 4H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(C=C(Br)Br)c1
ir: 4 10 4 3 3 13 3 3 2 4 7 6 8 4 2 3 2 3 2 1 1 1 1 1 1 4 7 2 1 3 4 9 28 7 2 2 4 0 0 1 1 0 0 1 3 4 4 7 9 6 10 1 2 2 1 1 6 3 4 3 4 14 3 19 7 7 11 19 20 7 10 3 1 0 2 3 7 4 2 2 2 1 2 1 1 1 10 3 4 2 25 32 10 7 2 1 1 5 14 3 2 5 21 8 2 4 55 8 4 4 1 1 2 8 2 3 14 5 6 3 1 2 6 1 2 2 1 2 3 9 2 5 3 2 1 1 2 2 2 8 11 18 12 24 37 16 4 0 2 8 3 7 3 2 2 2 5 6 1 0 1 1 6 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 7 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 2 2 1 3 4 7 8 12 19 78 100 28 1 2 2 3 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 t 1H J 21 | 75 74 dt 1H J 19 74 | 74 74 dt 1H J 17 77 | 74 73 m 1H | 73 73 s 1H | 65 65 d 1H J 9 | 59 58 dd 1H J 18 48 | 24 23 ddt 1H J 15 47 90 | 23 23 ddq 1H J 15 31 88 | 12 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.
O=C(O)c1cn(-c2cc(F)cc(F)c2)nn1
ir: 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 1 4 3 100 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 5 34 12 5 4 2 1 1 1 1 1 1 1 1 8 2 8 1 1 1 1 1 1 2 1 1 1 2 0 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 3 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 3 3 1 1 1 1 1 1 1 1 1 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 3 2 2 3 1 1 1 1 1 7 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: 94 94 s 1H | 72 71 ddd 2H J 11 23 114 | 69 68 tt 1H J 22 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1NCC2(CC2)NC1=O
ir: 2 8 18 8 2 10 14 6 0 9 13 7 2 9 13 10 14 11 15 6 19 15 25 5 4 11 11 4 4 11 10 12 56 49 78 24 10 12 13 4 7 11 23 7 27 20 14 5 14 20 17 19 50 58 20 0 9 18 19 11 17 38 59 64 59 22 9 12 27 30 9 5 9 13 6 4 18 24 18 4 10 13 21 14 30 16 3 3 12 10 3 5 11 10 7 6 13 9 4 10 13 13 4 8 22 89 67 17 27 29 6 15 32 23 18 21 22 15 10 36 47 24 4 15 22 17 6 9 14 23 87 30 18 10 4 11 13 10 9 14 12 5 5 11 11 4 5 11 10 9 34 11 47 18 41 26 16 4 7 17 20 7 8 14 11 3 6 14 7 0 7 13 6 0 7 13 6 1 7 12 6 1 8 12 5 2 8 11 5 2 9 11 4 3 9 10 4 3 9 10 4 4 10 9 3 4 10 9 3 5 11 8 2 5 11 8 2 5 11 7 2 6 12 7 1 6 12 7 1 7 12 6 1 7 12 6 2 7 11 5 2 8 11 5 3 8 10 5 3 9 10 4 4 9 10 4 4 10 9 4 4 10 9 4 5 10 9 4 6 13 11 5 7 11 10 9 8 14 11 7 12 22 20 10 10 12 9 2 10 17 17 28 20 25 8 3 8 11 6 4 9 11 9 11 16 40 100 20 81 30 45 56 72 44 35 17 12 10 4 5 10 8 4 5 10 8 3 6 10 8 3 6 10 7 2 6 11 7 2 6 11 7 2 7 11 6 2 7 11 6 3 7 10 6 3 8 10 5 3 8 9 5 4 8 9 5 4 8 9 4 4 9 9 4 5 9 8 4 5 9 8 4 5 10 8 3 6 10 7 3 6 10 7 3 6 10 7 3 6 11; 1HNMR: 61 61 s 1H | 35 34 dtt 1H J 16 33 66 | 30 29 d 2H J 33 | 27 26 dt 1H J 33 66 | 19 18 m 2H | 18 17 ddh 1H J 35 72 143 | 16 16 m 2H | 16 15 dtt 1H J 36 72 143 | 9 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(N2CC3CC2CN3)cc1
ir: 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 3 2 4 5 2 1 0 0 1 1 2 16 13 6 1 1 2 2 9 2 1 1 0 1 1 12 9 2 5 14 9 5 2 5 5 1 3 3 3 2 4 4 0 1 2 1 0 1 1 1 1 1 1 0 1 1 3 1 3 1 1 0 1 1 5 2 2 2 1 1 1 1 1 0 2 5 20 21 9 4 4 2 2 1 3 14 6 3 1 1 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 1 2 1 1 0 1 0 1 2 2 10 10 1 1 1 0 0 1 3 7 5 1 1 0 0 1 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 1 1 4 3 8 15 9 2 1 2 1 0 0 0 0 0 0 0 0 0 1 1 0 2 47 100 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H | 69 68 tt 1H J 13 77 | 67 67 m 2H | 40 39 tt 1H J 15 37 | 39 39 d 1H J 116 | 36 36 d 1H J 116 | 35 34 m 1H | 33 33 dt 1H J 18 114 | 31 30 dt 1H J 17 114 | 21 20 ddd 1H J 17 37 123 | 20 19 dt 1H J 19 40 | 18 18 ddd 1H J 19 38 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)cc(Sc2ccccc2C(=O)O)c1
ir: 0 1 3 3 2 2 3 4 1 4 2 2 3 6 4 7 5 13 10 9 10 19 29 100 9 8 4 1 3 3 2 2 2 1 3 3 3 2 1 1 4 15 78 5 3 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 4 10 24 41 20 24 7 7 14 4 5 7 9 18 5 5 46 53 5 5 5 2 1 2 25 3 2 2 4 4 5 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 6 2 2 2 2 3 7 64 6 5 2 2 1 2 2 1 2 2 1 3 2 1 1 1 1 2 3 5 1 1 1 3 4 2 21 16 7 5 2 1 6 3 2 1 0 1 1 2 0 10 9 23 11 3 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 3 8 12 38 22 7 3 4 1 1 1 1 6 55 17 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 79 79 dd 1H J 16 76 | 76 76 td 1H J 15 70 | 75 75 dd 1H J 18 70 | 74 73 td 1H J 17 73 | 66 66 d 2H J 22 | 63 63 t 1H J 21 | 38 38 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cccc2c1CC(C(=O)O)(C(=O)O)C2
ir: 1 1 0 0 0 0 1 0 1 1 1 1 1 2 3 3 2 4 3 3 16 16 8 15 8 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 4 10 21 8 4 2 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 2 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 5 3 1 2 3 5 2 2 1 1 1 1 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 5 1 2 4 2 1 1 0 1 2 0 0 33 100 19 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 2H | 68 67 dd 1H J 15 81 | 46 45 hept 1H J 56 | 36 35 s 2H | 34 34 s 2H | 14 13 d 6H 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@@H](CC(C)C)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O
ir: 10 6 12 7 2 6 12 7 4 9 10 8 4 6 13 13 3 5 10 5 12 16 9 7 4 8 6 6 15 25 10 7 13 12 36 81 31 26 11 27 15 14 98 11 8 9 10 8 7 7 6 0 6 7 7 2 5 8 3 3 4 8 6 5 8 5 6 5 17 32 5 2 7 13 11 8 21 11 7 6 7 7 4 4 5 4 2 2 5 5 1 4 9 4 3 3 6 10 19 7 13 18 8 14 13 5 7 9 19 20 27 26 13 32 6 11 18 13 16 15 25 11 13 14 12 11 4 14 26 10 5 30 17 12 6 13 34 15 8 22 8 4 5 10 81 100 25 63 18 4 6 21 12 16 23 8 5 1 3 6 4 1 3 6 4 0 3 5 3 0 3 6 3 0 3 5 3 0 3 5 2 0 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 1 4 5 2 2 4 4 1 2 4 4 1 2 5 4 1 2 4 3 1 2 5 3 0 2 5 3 1 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 6 5 3 5 10 8 4 16 13 8 3 7 12 13 8 25 11 13 32 23 17 7 10 12 7 4 2 5 6 4 1 4 5 3 2 7 7 5 3 8 9 16 41 79 52 12 11 6 7 2 3 5 4 2 2 4 3 1 3 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5; 1HNMR: 78 78 d 1H J 86 | 76 76 m 1H | 74 73 dd 1H J 14 64 | 73 73 ddd 1H J 13 64 77 | 72 71 td 1H J 14 71 | 69 68 d 1H J 12 | 66 66 t 1H J 49 | 46 45 dt 1H J 57 86 | 41 41 q 2H J 66 | 39 38 td 2H J 9 57 | 33 32 ddd 1H J 9 58 154 | 33 31 m 2H | 31 30 m 2H | 28 27 dd 1H J 73 172 | 25 24 dd 1H J 75 172 | 18 17 p 2H J 59 | 18 17 m 1H | 17 16 m 1H | 16 14 m 8H | 13 12 t 3H J 66 | 10 9 d 3H J 68 | 9 8 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2ccccc2c(=O)n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
ir: 22 22 25 23 25 23 21 22 23 22 27 23 22 23 23 21 21 21 21 21 21 21 21 21 21 21 21 21 22 24 21 31 46 27 22 25 24 22 21 20 20 22 25 84 24 23 25 51 32 23 22 21 22 22 21 33 23 21 22 23 22 30 22 25 25 22 38 32 38 30 28 24 23 22 27 23 23 22 22 25 68 21 25 26 38 25 22 22 21 22 21 21 22 23 22 21 23 25 29 30 48 25 26 22 21 21 22 21 23 27 28 25 32 39 29 25 26 26 26 23 22 22 21 24 23 31 25 39 24 24 25 22 23 21 22 24 26 24 24 25 30 43 28 22 22 36 27 26 35 22 21 21 21 22 35 26 31 0 40 24 22 24 26 20 21 21 21 21 21 21 21 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 21 20 21 21 21 20 21 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 21 21 21 20 21 21 21 20 21 21 21 20 21 21 20 21 21 21 20 20 21 21 20 20 21 21 20 20 21 21 21 20 21 21 20 21 21 21 21 21 21 21 21 21 21 21 21 21 21 23 22 22 23 23 21 22 22 23 23 29 27 33 100 53 24 22 23 21 21 21 21 21 21 21 21 21 21 21 21 20 21 21 21 21 21 21 21 20 21 21 20 21 21 21 21 21 21 20 21 21 20 21 21 21 21 20 21 21 20 20 20 21 20 20 20 21 20 20 20 21 20 20 20 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21 21 20 20 21; 1HNMR: 81 81 dd 1H J 13 81 | 78 77 ddd 1H J 13 70 83 | 77 76 dd 1H J 13 85 | 75 74 m 2H | 72 72 m 2H | 71 71 m 1H | 41 40 t 2H J 62 | 33 32 m 4H | 29 28 q 2H J 75 | 28 27 m 4H | 27 27 t 2H J 62 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC[C@H](N)C(=O)O
ir: 1 1 0 1 2 2 1 2 1 1 2 2 3 7 3 4 3 5 9 6 9 49 35 23 16 4 1 1 1 1 1 0 0 1 1 1 1 2 1 2 3 2 1 1 1 2 3 3 2 2 3 3 4 4 2 1 8 15 9 4 4 3 7 20 5 13 6 8 23 8 6 13 7 2 4 7 46 50 44 23 20 9 10 19 2 1 3 2 2 1 1 1 2 1 3 2 3 2 2 1 1 1 1 2 3 6 7 3 7 5 2 2 3 2 5 3 2 3 4 7 2 4 5 4 4 2 3 3 4 6 6 6 17 20 21 13 4 1 2 1 3 1 6 14 9 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 3 3 3 2 1 1 1 2 1 2 2 6 8 5 1 1 0 0 0 0 0 1 1 2 23 100 17 8 10 7 27 39 16 4 3 5 5 58 43 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 73 73 d 2H J 66 | 38 37 tt 1H J 57 64 | 20 19 dtd 1H J 57 87 144 | 17 16 dtd 1H J 57 86 144 | 15 14 dddd 1H J 73 88 136 160 | 14 12 m 11H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O
ir: 3 7 4 4 2 5 14 3 5 2 2 4 3 5 8 6 5 4 5 3 2 2 3 4 2 3 2 3 3 3 6 12 4 17 4 4 3 2 4 9 13 72 29 0 3 6 3 1 2 4 2 1 2 3 2 3 3 4 4 3 2 3 2 2 3 3 4 6 11 12 6 4 3 6 7 3 6 9 5 4 7 8 25 17 7 4 5 2 13 11 6 4 3 3 2 2 3 6 3 3 8 3 3 3 3 3 2 6 5 6 2 4 7 9 6 6 5 4 6 4 6 4 7 9 6 5 4 13 7 9 15 8 4 8 17 25 6 3 2 2 2 3 4 7 29 3 3 3 2 2 8 8 6 2 5 2 2 2 2 2 3 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 8 5 11 11 6 4 2 4 3 4 3 6 19 16 11 69 17 8 5 3 4 3 4 30 100 9 3 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 75 74 m 4H | 74 73 m 4H | 73 72 m 2H | 62 61 t 1H J 46 | 50 50 s 1H | 36 35 m 4H | 30 29 ddd 2H J 37 64 123 | 28 27 ddd 2H J 37 64 123 | 22 21 ddd 2H J 37 64 136 | 20 19 ddd 2H J 37 64 136 | 17 16 m 2H | 15 14 s 2H | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)C(=O)c2cnc(C)cn2)c(Cl)c1
ir: 4 4 1 3 4 7 12 77 11 14 23 23 44 20 14 13 9 5 3 7 11 4 3 5 5 7 8 5 6 3 8 10 6 7 4 4 10 23 6 6 3 1 2 8 14 0 2 5 5 0 3 6 7 2 38 11 11 3 5 3 3 3 5 9 36 56 21 22 18 16 66 25 5 4 8 6 3 6 13 10 2 1 5 6 2 1 5 4 3 5 11 11 22 6 27 37 20 13 5 5 1 3 10 8 13 44 16 6 9 4 6 8 8 6 5 3 4 9 6 7 8 5 15 7 7 15 11 23 12 14 5 40 20 5 4 3 2 6 19 1 0 5 11 4 1 4 3 2 17 14 18 22 16 29 12 3 2 4 5 11 3 8 8 1 2 4 2 1 2 4 2 0 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 3 10 6 3 2 3 3 4 5 6 12 8 5 8 14 17 15 15 100 33 11 4 5 3 2 3 4 3 1 2 3 2 1 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 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 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 87 87 s 1H | 85 84 d 1H J 8 | 73 73 dd 1H J 7 84 | 69 69 d 1H J 22 | 68 68 dd 1H J 22 82 | 45 45 qd 1H J 7 79 | 38 38 s 3H | 26 26 s 3H | 16 16 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1=NC2(Cc3ccc([N+](=O)[O-])cc3C2)C(=O)N1
ir: 4 4 25 5 1 5 11 6 5 22 37 19 8 8 15 13 6 19 42 28 86 76 41 43 7 11 7 5 5 9 39 25 51 14 8 5 4 6 4 2 3 5 5 0 2 8 7 1 3 6 6 6 60 14 8 7 6 18 15 6 15 6 3 1 4 6 2 3 13 6 2 1 4 8 15 8 5 5 3 0 7 4 2 9 6 6 3 3 9 8 4 77 27 5 7 3 6 15 13 4 5 4 3 5 11 9 2 3 4 5 1 17 33 21 7 10 7 9 3 7 4 18 14 24 39 7 2 25 19 5 9 6 8 3 26 6 5 1 1 4 8 22 1 5 8 32 7 10 7 11 24 9 29 10 14 65 15 13 6 5 23 2 4 4 3 1 2 5 2 1 2 4 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 2 4 2 0 3 5 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 3 1 2 5 4 2 1 4 3 1 1 4 3 1 2 5 6 2 4 5 8 12 22 9 4 3 5 5 7 15 31 32 44 18 63 20 7 2 5 6 2 1 4 6 4 1 4 4 3 2 4 4 2 1 7 10 19 100 17 20 5 8 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 1 3 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 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 81 80 dt 1H J 9 20 | 80 80 dd 1H J 22 75 | 74 74 dt 1H J 9 77 | 35 34 m 1H | 34 33 m 1H | 32 31 m 1H | 31 31 m 1H | 24 22 m 2H | 17 16 m 2H | 10 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(O[C@@H]2C[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)nc1
ir: 6 4 9 9 22 8 12 3 3 15 4 20 8 5 4 2 1 3 5 3 1 1 2 2 10 18 11 13 1 2 2 2 2 2 4 10 45 59 67 22 13 11 3 3 3 4 6 7 5 2 4 1 1 6 6 5 1 3 3 3 5 5 4 7 4 3 2 2 2 3 3 6 3 2 1 1 4 1 1 1 2 1 1 1 1 1 1 7 1 1 2 1 4 5 2 4 6 13 11 2 2 2 3 5 28 6 13 7 12 51 17 7 5 15 62 35 15 9 4 9 6 8 10 47 20 26 34 25 10 63 23 14 18 31 2 5 3 2 2 2 1 3 29 43 7 1 2 7 4 3 8 100 66 5 4 2 2 2 2 64 2 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 2 3 3 3 8 7 3 4 6 12 7 26 39 18 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 82 82 d 2H J 9 | 53 52 tdd 1H J 18 38 53 | 42 41 dt 1H J 29 51 | 37 36 dd 1H J 30 111 | 35 34 dd 1H J 12 112 | 31 30 qt 2H J 9 81 | 24 23 m 2H | 21 20 m 1H | 20 19 m 1H | 18 18 dt 1H J 28 121 | 15 14 t 3H J 81 | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O
ir: 1 1 1 1 4 1 2 3 1 1 2 1 3 2 3 1 1 0 0 1 2 1 1 5 1 1 0 1 1 1 2 34 3 2 3 15 13 2 2 2 3 0 27 1 10 2 1 1 1 1 1 1 1 4 13 100 7 1 3 1 2 2 1 3 1 1 11 6 3 2 1 3 6 1 1 2 3 2 3 2 5 1 1 1 1 1 2 1 1 25 6 4 8 4 1 3 5 9 3 1 2 2 1 2 3 3 2 1 2 2 1 1 1 1 1 5 4 4 6 5 5 36 7 7 17 8 7 2 2 3 2 1 2 2 2 15 34 5 15 2 2 1 1 2 1 2 3 33 22 0 1 13 20 20 3 5 1 1 1 1 22 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 5 2 2 3 5 7 5 2 13 13 66 81 48 5 5 5 3 3 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0; 1HNMR: 78 78 m 1H | 76 75 d 1H J 82 | 75 75 dd 1H J 7 21 | 74 73 m 2H | 74 73 m 1H | 73 72 ddd 1H J 7 22 82 | 44 44 m 1H | 31 30 h 1H J 68 | 22 21 ddd 1H J 54 71 137 | 19 19 ddd 1H J 70 81 137 | 12 11 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc(CCNCc2ccc(I)cc2)cc1
ir: 26 17 6 1 2 4 1 2 0 1 2 5 11 1 1 2 13 2 3 1 0 1 1 1 1 3 3 2 0 1 1 0 1 1 2 0 1 1 1 0 1 1 1 5 2 3 3 5 11 2 3 7 7 12 8 27 6 5 2 0 1 4 18 7 2 1 5 1 3 0 2 1 2 12 4 2 3 8 4 18 8 18 12 13 19 68 25 37 14 16 3 10 19 13 5 4 4 6 4 5 3 3 4 2 2 3 1 7 15 28 13 2 2 5 6 8 14 22 37 33 11 6 7 5 8 5 1 2 2 1 2 3 7 14 10 3 2 1 1 1 1 1 1 1 2 8 12 4 6 2 3 2 10 2 1 1 1 1 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 2 5 6 16 24 11 6 10 2 2 2 1 1 2 1 1 1 1 2 1 1 2 3 53 26 6 7 8 100 53 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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; 1HNMR: 78 77 m 2H | 77 76 m 2H | 74 73 dt 2H J 9 94 | 72 72 m 4H | 39 38 dt 2H J 9 54 | 33 32 q 2H J 51 | 32 31 p 1H J 53 | 29 29 tt 2H J 9 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C=O
ir: 4 14 28 29 13 15 45 19 19 48 42 36 100 24 28 18 6 17 19 9 6 20 21 6 4 17 19 6 9 20 19 10 5 16 14 3 7 18 14 4 8 20 14 5 10 20 14 3 10 18 13 14 20 25 12 0 12 22 12 4 16 45 16 6 15 21 12 3 14 23 11 10 18 31 9 5 12 18 6 3 13 15 5 4 14 14 4 6 17 15 5 7 21 16 5 11 19 19 8 13 23 28 7 21 42 59 28 30 39 71 83 18 28 16 0 11 23 15 8 24 55 33 29 37 35 12 6 22 45 32 42 59 41 17 10 12 13 7 5 12 14 6 6 14 13 6 7 17 15 17 39 60 31 5 7 16 12 3 7 16 10 2 8 16 10 1 8 17 9 1 9 17 9 1 9 17 8 2 10 16 8 2 11 15 7 3 11 15 6 3 12 14 6 4 12 14 5 5 13 13 5 5 13 12 4 6 14 12 4 6 14 11 3 7 15 11 3 7 15 10 2 8 16 10 2 8 16 9 1 9 16 9 2 10 16 8 2 10 15 8 3 11 15 7 4 11 14 7 4 12 13 6 5 12 13 6 5 13 13 5 6 14 12 5 7 14 12 6 9 22 14 10 17 18 19 8 14 18 15 11 28 55 35 17 89 32 10 4 10 16 9 3 10 15 8 3 10 14 7 4 11 14 7 4 11 13 6 5 12 13 6 5 12 12 5 6 12 12 5 6 13 11 5 7 13 11 4 7 14 10 4 8 14 10 3 8 15 9 3 9 15 9 3 9 15 9 3 9 14 8 4 10 14 8 4 10 13 7 4 11 13 7 5 11 13 6 5 11 12 6 6 12 12 6 6 12 11 5 7 13 11 5 7 13 10 5 8 13 10 4 8 14 10 4 8 14 9 3 9 14; 1HNMR: 98 97 dt 1H J 9 69 | 52 51 dtd 1H J 18 36 71 | 51 50 m 1H | 45 45 tddt 1H J 15 34 50 68 | 40 39 ddt 1H J 18 126 170 | 37 36 ddd 1H J 36 126 170 | 26 25 m 1H | 22 21 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(CCO)c1cccc(Br)n1
ir: 2 2 3 2 4 18 4 3 8 10 3 1 1 1 1 3 2 1 1 1 1 1 1 1 2 1 3 3 2 2 1 2 2 3 5 4 1 1 1 2 2 0 2 5 6 1 60 72 6 9 4 0 2 4 2 1 1 3 3 3 6 5 2 3 10 4 2 3 2 2 6 3 3 5 2 1 2 6 15 5 3 2 8 5 7 7 9 14 25 20 21 34 10 4 7 7 4 3 4 3 2 2 6 3 9 5 3 2 1 2 1 1 1 3 2 2 1 1 1 1 1 2 4 3 1 2 10 3 0 1 1 1 1 4 7 4 15 100 40 2 3 7 5 5 2 1 1 1 1 1 1 1 2 19 22 4 23 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 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 1 1 2 1 1 1 1 2 2 3 2 2 2 3 3 5 2 3 12 9 3 11 25 17 4 6 2 3 1 11 29 6 2 2 1 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 t 1H J 76 | 75 75 dt 1H J 9 75 | 73 72 dd 1H J 13 77 | 44 43 m 1H | 39 39 t 1H J 48 | 39 38 dtd 1H J 49 62 112 | 38 37 dtd 1H J 48 62 110 | 24 23 dq 1H J 64 150 | 22 21 dq 1H J 63 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1c2nc(C3=CC4CN(S(C)(=O)=O)CC4C3)ccc2N(CC2CC2(F)F)S1(=O)=O
ir: 32 7 4 19 6 10 16 5 14 14 15 9 11 8 11 12 10 5 6 16 6 3 2 3 1 2 1 2 4 2 1 1 2 9 3 10 4 2 4 13 5 4 2 6 3 3 4 2 3 2 2 3 6 7 57 2 2 4 5 4 7 6 4 3 5 4 59 13 30 16 14 33 8 10 8 9 4 20 29 8 58 14 7 5 9 5 18 25 60 21 18 14 100 12 13 5 3 3 1 4 29 15 15 22 50 15 3 4 6 3 1 4 3 6 8 5 5 6 8 5 6 27 3 2 5 7 3 1 3 3 1 2 2 3 1 2 4 4 70 12 1 2 1 3 2 1 4 6 14 6 3 5 5 23 2 2 1 1 3 5 5 11 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 1 2 3 2 2 2 5 4 11 22 11 9 9 10 36 9 5 2 5 3 1 1 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 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 d 1H J 82 | 73 72 d 1H J 82 | 62 62 ddt 1H J 9 18 60 | 45 44 m 1H | 42 41 dddd 1H J 28 42 58 115 | 36 36 s 2H | 34 34 dd 1H J 37 118 | 34 33 ddd 1H J 8 25 115 | 32 31 dd 1H J 37 119 | 31 30 m 3H | 28 28 m 1H | 28 28 s 3H | 27 26 qtd 1H J 18 37 55 | 25 24 m 2H | 23 22 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccc(N=[N+]=[N-])cc2C(F)(F)F)C[C@@H]1OC
ir: 5 15 9 4 2 3 4 4 15 26 25 22 13 16 17 18 7 10 13 4 2 3 5 16 13 11 12 5 6 5 6 3 5 7 3 3 11 13 13 14 11 11 6 1 4 4 2 1 1 5 2 2 2 3 4 3 3 4 10 4 6 46 15 15 7 8 10 100 32 12 10 4 6 58 6 3 3 3 3 7 9 2 8 32 36 10 12 70 14 6 6 49 8 25 28 8 12 20 13 56 58 15 54 21 8 23 52 15 11 12 8 9 13 6 6 3 3 1 1 4 7 5 3 10 5 6 4 4 7 10 12 8 1 4 2 4 3 3 4 24 3 3 3 7 70 1 30 9 43 6 2 2 1 1 8 48 3 3 2 2 2 1 1 5 5 7 60 14 3 1 2 2 1 1 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 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 0 1 2 2 1 1 2 1 1 1 3 3 2 2 2 3 1 4 2 5 3 7 21 20 16 15 13 5 16 36 32 23 7 5 5 2 1 1 3 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2; 1HNMR: 79 79 d 1H J 93 | 76 76 dq 1H J 10 20 | 72 71 dd 1H J 21 94 | 44 43 dtp 1H J 15 47 78 | 37 36 s 2H | 36 35 m 4H | 31 30 ddddd 1H J 8 18 55 66 75 | 26 25 m 2H | 24 23 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1C(=O)NCC(O)CN1CCOCC1
ir: 8 4 6 4 4 4 2 3 4 4 22 14 12 6 2 4 12 26 16 44 3 7 18 15 14 7 5 7 6 9 13 6 3 4 3 9 6 5 3 2 3 17 4 3 2 5 4 14 34 100 19 9 5 3 2 4 7 27 4 3 3 3 2 2 4 8 3 3 5 6 7 5 6 6 2 4 4 3 3 8 5 3 30 6 7 6 2 3 3 3 2 3 6 12 9 8 25 23 9 3 10 8 3 3 5 5 4 14 5 6 2 2 3 4 8 13 21 8 8 12 7 4 3 3 3 7 5 5 4 6 4 3 1 28 1 8 3 2 2 11 6 3 3 7 20 2 2 3 17 4 10 2 13 47 3 11 3 3 77 10 28 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 3 2 3 2 3 3 3 4 5 7 8 11 64 9 9 10 14 34 7 4 2 3 3 2 1 2 3 3 2 4 3 2 3 5 18 4 30 67 62 21 12 3 25 9 5 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 79 78 dd 1H J 16 75 | 75 75 s 1H | 74 73 td 1H J 13 75 | 72 71 m 2H | 71 70 t 1H J 69 | 43 43 d 1H J 59 | 41 40 dp 1H J 51 60 | 37 37 t 5H J 44 | 36 35 ddd 1H J 49 70 132 | 33 32 ddd 1H J 50 69 132 | 29 28 dd 1H J 49 126 | 28 27 m 2H | 27 25 m 4H | 24 24 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCc1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
ir: 0 4 6 3 1 3 4 2 2 3 5 7 4 2 2 4 4 2 2 2 5 4 2 1 1 2 4 3 1 5 5 24 5 9 2 2 4 21 5 3 4 1 8 6 19 18 44 100 32 18 32 47 39 34 17 9 13 12 9 6 7 6 2 4 6 14 17 2 18 7 5 7 42 48 20 14 6 24 5 25 21 25 13 10 3 1 5 19 10 8 4 4 3 6 15 11 9 10 4 9 2 3 3 3 3 10 14 3 2 2 2 2 2 2 3 2 3 2 2 2 2 7 3 7 7 12 18 14 10 7 32 43 3 21 38 38 12 5 4 29 35 3 13 24 8 22 56 17 8 20 13 11 38 19 21 15 7 2 5 6 36 15 4 1 1 2 1 2 1 0 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 2 3 3 2 3 3 3 3 4 2 6 8 8 8 36 58 46 26 28 16 9 4 6 7 3 4 4 5 14 33 32 15 9 23 12 17 9 63 63 10 5 9 8 3 2 3 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 dt 1H J 9 81 | 74 73 m 2H | 73 72 m 1H | 71 71 m 2H | 69 69 m 1H | 69 68 m 1H | 62 61 d 1H J 80 | 53 52 dd 2H J 9 35 | 51 51 q 2H J 9 | 38 37 t 2H J 66 | 30 29 tt 2H J 50 65 | 28 28 tt 2H J 9 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O
ir: 1 0 1 1 2 2 1 1 1 1 1 3 2 4 2 1 1 1 2 2 2 14 44 5 2 2 3 1 0 0 1 1 1 1 1 0 0 1 1 1 1 11 4 2 0 2 1 1 1 1 1 1 2 3 31 10 17 5 4 3 2 2 1 1 1 5 5 3 2 20 5 1 0 1 2 1 2 7 11 12 15 12 12 2 2 1 5 2 4 2 1 2 0 1 1 1 4 1 0 2 1 1 0 0 0 0 2 1 1 0 2 2 1 0 0 1 1 1 0 1 2 1 1 1 2 2 2 3 3 5 1 7 20 20 2 4 1 1 0 1 1 0 1 3 11 2 1 2 7 1 0 0 7 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 2 1 3 16 5 1 1 1 4 2 10 100 5 30 2 2 3 13 18 6 3 1 2 1 3 6 27 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 2H J 66 | 78 77 m 3H | 72 72 s 1H | 69 69 m 2H | 69 68 m 2H | 35 34 p 1H J 65 | 33 32 ddt 1H J 9 64 141 | 31 30 ddt 1H J 9 64 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1Nc1ccncc1C(N)=O
ir: 1 1 0 1 1 2 1 1 1 1 2 3 3 14 13 8 3 12 6 25 7 4 2 6 2 3 1 1 3 3 3 9 2 10 4 3 3 5 8 6 10 15 14 11 22 19 10 20 40 49 21 21 4 1 3 3 9 40 3 2 2 1 1 2 1 0 1 1 1 2 5 4 3 12 11 4 1 1 1 2 1 1 6 1 1 0 1 2 1 3 5 2 1 2 1 1 0 1 5 5 11 10 6 3 0 1 1 4 3 1 1 1 4 3 3 5 4 12 4 10 3 8 1 3 2 5 18 5 7 8 1 2 1 1 1 5 12 6 2 1 2 1 10 2 2 12 2 2 5 4 2 3 3 5 4 5 4 7 100 16 10 2 6 86 18 4 2 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 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 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 2 1 1 1 1 1 1 4 4 2 3 10 20 11 3 2 1 1 1 1 0 0 1 1 2 1 2 9 5 14 5 3 3 6 6 11 56 14 3 6 5 29 8 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 90 89 d 1H J 13 | 85 84 dd 1H J 14 43 | 84 83 s 1H | 74 74 dddt 1H J 9 18 37 81 | 74 73 m 4H | 72 71 m 2H | 53 53 dd 2H J 9 38 | 40 40 s 2H | 28 27 m 4H | 23 22 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN
ir: 3 3 5 5 4 4 5 4 7 7 1 5 4 3 2 4 4 2 4 5 2 5 2 4 6 8 5 8 5 2 7 5 3 4 3 5 2 3 4 3 2 4 15 5 9 3 9 5 7 9 6 3 7 7 3 11 6 11 5 7 7 5 4 10 5 16 7 5 23 22 20 14 4 9 15 16 8 5 2 2 8 4 6 6 2 3 5 2 1 3 3 2 4 5 5 11 14 6 8 3 4 6 2 2 2 3 4 4 1 3 6 18 18 39 14 18 9 17 14 22 37 33 33 28 12 16 8 6 16 8 13 7 10 12 10 4 15 6 9 4 6 17 13 29 17 8 6 11 3 1 14 6 6 7 1 0 1 7 3 0 1 1 1 0 1 24 2 44 2 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 2 10 10 11 6 5 14 15 16 4 4 5 17 9 11 28 100 29 24 54 22 10 12 11 5 5 3 2 2 2 5 4 3 3 11 17 3 4 2 1 3 6 33 7 2 2 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 83 | 72 72 dt 1H J 7 20 | 70 70 ddt 1H J 9 20 82 | 65 65 s 2H | 46 46 s 2H | 45 44 t 2H J 65 | 43 43 s 2H | 42 41 q 2H J 66 | 38 37 t 2H J 65 | 36 36 q 2H J 60 | 30 29 tt 2H J 9 81 | 27 26 t 2H J 83 | 15 14 s 5H | 13 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1
ir: 7 12 10 10 2 8 5 5 6 3 7 9 5 8 16 12 18 24 20 20 16 19 12 7 6 10 15 10 17 22 18 27 55 18 18 22 16 10 26 23 16 7 8 8 19 22 35 55 16 12 6 9 9 11 12 33 79 26 18 2 3 3 2 4 20 8 8 31 49 73 7 2 7 10 18 6 3 4 9 5 4 5 3 3 6 10 16 11 5 7 3 4 10 15 13 6 6 8 4 4 35 22 8 11 45 5 3 2 5 3 1 2 2 2 2 2 2 2 2 4 3 5 4 4 4 7 11 8 3 3 15 44 25 5 3 8 13 5 4 4 3 6 8 26 37 15 30 3 50 71 71 29 35 92 10 7 7 46 60 0 3 12 14 10 4 5 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 3 7 7 47 100 41 21 15 14 6 4 4 2 4 5 4 2 4 5 3 1 43 57 11 8 3 15 82 86 47 17 6 5 3 32 42 9 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 98 98 d 1H J 31 | 89 89 s 1H | 86 86 d 1H J 49 | 75 75 m 3H | 74 73 dd 1H J 43 121 | 72 71 m 2H | 69 68 dd 1H J 22 49 | 68 68 s 2H | 68 68 m 1H | 19 18 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CCC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
ir: 4 7 4 6 3 9 5 8 10 5 8 4 2 3 5 9 6 4 3 3 3 4 16 11 7 3 5 6 6 10 7 4 4 4 4 5 7 14 13 29 34 7 6 10 5 4 7 4 10 15 16 8 8 18 16 11 31 7 5 31 5 4 4 6 5 7 7 15 8 8 15 6 3 3 4 5 1 4 6 6 30 10 7 21 9 6 7 7 5 10 3 5 2 3 4 5 2 7 28 11 14 14 5 6 3 3 2 3 4 7 4 11 9 6 2 7 0 5 8 5 4 8 6 8 10 11 10 15 11 11 11 12 15 7 19 33 17 5 10 5 15 25 15 12 6 15 37 12 8 3 20 17 37 14 8 4 2 2 2 1 1 2 2 8 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7 5 4 3 3 4 3 2 5 12 24 6 44 100 22 14 7 5 4 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H | 73 72 m 5H | 69 68 m 2H | 37 37 d 2H J 8 | 33 33 t 2H J 82 | 31 31 m 4H | 29 29 s 5H | 29 29 m 4H | 27 26 t 2H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(c2ccc(C(F)(F)F)cn2)C[C@H]2C[C@H](Oc3cnc(C4CC4)cn3)CN12
ir: 5 5 10 6 1 2 3 12 0 4 6 8 7 3 3 9 5 3 10 6 5 2 3 2 3 4 2 1 2 4 4 4 23 5 4 9 71 7 6 6 5 1 3 1 1 2 3 2 2 2 4 2 8 28 46 7 3 2 2 3 1 7 1 1 4 3 14 8 6 13 53 15 7 2 4 3 4 2 1 1 1 1 3 3 6 6 3 4 2 4 11 7 5 10 8 10 10 8 19 26 13 9 7 15 9 6 10 5 8 23 6 4 64 10 11 14 6 6 9 4 4 7 7 7 12 15 9 5 4 6 3 8 12 9 14 7 5 8 8 33 13 15 7 5 5 1 10 31 100 14 13 35 7 5 3 1 1 3 2 0 3 56 11 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 4 2 3 7 3 2 3 4 7 9 10 21 17 16 13 1 4 4 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 dq 1H J 13 25 | 82 82 d 1H J 7 | 80 79 s 1H | 79 79 ddd 1H J 14 30 62 | 68 67 d 1H J 65 | 54 53 dtdd 1H J 8 24 43 66 | 42 41 m 1H | 40 40 dd 1H J 24 117 | 39 38 dd 1H J 57 126 | 38 37 m 3H | 37 36 dd 1H J 62 128 | 28 27 m 2H | 24 23 ddd 1H J 54 61 129 | 22 21 m 2H | 13 12 m 2H | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCc1ccc(O)c(Cl)c1)C1CCCC1
ir: 2 1 0 1 2 1 0 1 1 1 0 1 1 2 1 1 1 1 2 1 1 1 1 1 3 1 3 1 1 1 1 2 1 1 2 4 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 12 3 1 1 1 1 1 1 1 1 1 4 3 2 2 1 0 0 1 1 1 1 2 15 8 2 1 1 3 2 1 3 10 7 14 4 1 2 0 1 1 1 1 1 5 2 2 2 1 1 1 1 2 1 1 3 2 2 3 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 0 0 0 1 1 1 2 3 4 1 2 2 3 19 4 1 0 1 1 0 1 5 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 3 2 2 6 11 3 1 1 1 1 1 10 100 25 7 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 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; 1HNMR: 71 71 dt 1H J 9 19 | 70 69 ddt 1H J 9 21 86 | 68 68 d 1H J 87 | 67 66 s 1H | 29 28 tq 2H J 9 81 | 27 27 td 2H J 8 82 | 26 25 p 1H J 48 | 19 18 m 2H | 18 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)n1cc(C2CCN(S(=O)(=O)Cl)CC2)c2cc(C#N)ccc21
ir: 5 15 26 23 5 6 4 9 9 4 23 5 5 20 45 6 3 3 3 4 6 27 13 81 3 3 2 1 1 2 2 12 8 3 3 2 9 14 3 1 6 6 2 2 1 2 1 0 2 9 6 2 3 4 6 38 6 14 9 3 7 9 14 11 11 14 22 22 18 16 100 6 12 6 2 1 6 8 2 5 35 15 11 8 10 72 19 33 69 56 9 3 6 6 7 4 4 7 2 17 12 100 30 86 28 14 12 4 6 3 1 2 4 2 1 2 3 2 3 3 10 15 21 6 4 7 1 5 4 2 1 3 3 2 1 22 2 1 2 2 2 1 1 3 4 26 2 2 1 1 2 8 8 5 27 10 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 27 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 3 2 1 2 6 8 4 1 2 3 2 3 4 5 3 3 4 11 25 15 14 22 83 28 7 8 8 5 3 2 1 1 2 1 0 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 82 81 d 1H J 23 | 81 80 d 1H J 66 | 80 80 d 1H J 7 | 78 78 dd 1H J 21 65 | 35 34 ddd 2H J 68 95 134 | 34 33 ddd 2H J 68 95 134 | 32 32 pd 1H J 7 50 | 31 30 s 2H | 23 22 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C(=O)N(CCCCC(=O)O)C(c1ccccc1)c1ccccc1
ir: 3 2 1 1 1 1 3 2 5 2 4 3 11 6 10 15 11 11 18 23 33 45 41 17 21 6 4 4 4 5 7 11 22 17 3 6 13 14 34 23 35 23 8 3 8 4 2 3 2 1 2 1 1 2 2 2 1 1 2 3 1 0 2 3 1 0 2 4 6 13 3 0 3 5 7 20 29 43 20 20 30 27 15 9 6 3 5 4 2 8 5 7 3 4 2 2 2 2 3 3 3 5 1 2 3 1 1 2 4 3 4 6 15 5 6 6 5 5 6 6 14 11 11 16 10 10 2 2 3 8 3 3 5 6 8 31 18 12 10 9 4 3 18 23 31 21 5 10 7 42 6 4 8 1 0 1 1 0 1 1 1 1 1 5 2 1 1 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 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 5 3 1 2 2 2 1 3 5 8 11 29 39 30 100 46 18 10 9 3 1 5 10 81 59 13 3 3 2 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 11H | 70 69 dq 1H J 59 145 | 63 62 dq 1H J 16 145 | 54 53 s 1H | 33 33 t 2H J 62 | 24 23 t 2H J 89 | 20 19 dd 3H J 15 60 | 17 16 ttd 2H J 8 61 71 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1[C@@H](C(C)(C)O)CCN1c1ccc(C#N)c2sccc12
ir: 24 7 11 4 2 5 7 4 1 4 7 5 1 5 8 4 2 5 6 2 2 5 7 3 2 6 8 3 3 17 6 3 2 6 100 18 3 7 6 2 2 5 5 2 3 6 4 1 3 5 4 1 4 7 17 31 7 7 4 3 5 6 10 14 6 8 5 7 5 6 9 9 7 12 4 3 8 2 37 28 12 19 8 4 6 5 3 3 11 9 3 19 8 11 8 17 11 7 7 5 5 5 6 12 12 27 44 22 20 9 1 6 12 5 2 4 6 4 2 5 7 5 2 4 7 10 3 5 7 15 5 6 62 7 2 6 5 29 2 6 6 2 3 20 6 1 1 5 7 11 5 6 4 1 2 7 4 1 3 20 5 1 3 5 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 5 2 0 15 5 2 1 4 5 3 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 6 4 3 6 4 2 4 7 4 2 6 7 7 14 21 17 9 48 24 14 70 4 5 5 7 15 6 4 3 2 4 4 3 2 4 4 2 2 4 5 2 2 3 4 3 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4; 1HNMR: 78 78 d 1H J 57 | 77 76 d 1H J 75 | 74 74 d 1H J 57 | 69 68 d 1H J 75 | 39 38 m 1H | 37 36 dddt 1H J 18 51 68 118 | 36 35 ddd 1H J 51 70 119 | 26 25 s 1H | 20 20 dtp 1H J 16 46 78 | 19 18 m 1H | 18 17 dddd 1H J 50 60 68 121 | 12 12 d 3H J 15 | 12 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1
ir: 3 2 14 4 8 3 12 6 1 2 5 6 11 7 13 6 3 2 2 11 5 4 2 4 11 3 2 2 2 1 3 1 2 1 48 8 2 14 10 60 9 5 2 0 3 6 3 1 1 5 2 0 3 9 6 25 18 2 7 3 2 2 1 0 9 27 5 11 5 8 2 2 1 0 1 2 1 0 1 2 3 2 2 5 13 71 2 3 2 2 1 1 2 6 33 9 6 3 1 3 5 6 1 4 12 2 1 1 1 1 1 1 1 1 1 1 1 3 1 2 4 2 2 36 3 3 2 1 1 2 8 2 8 9 7 3 6 4 2 2 1 1 1 5 5 2 2 8 18 5 100 9 2 31 3 1 1 2 2 1 1 2 5 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 28 43 13 4 5 4 2 6 2 1 1 2 1 1 1 2 1 1 2 2 2 1 8 47 29 15 12 17 28 17 4 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; 1HNMR: 80 80 d 2H J 82 | 79 79 s 2H | 75 74 m 2H | 72 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(CC(=O)OCc1ccccc1)C(C)=O
ir: 5 2 2 2 2 2 3 4 2 3 2 6 10 4 2 1 1 4 3 2 3 3 7 2 2 5 2 2 2 2 1 2 2 1 1 0 1 2 2 5 16 9 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 2 5 2 2 0 1 2 11 7 3 5 13 2 4 2 1 2 2 2 2 1 0 0 0 0 0 0 0 0 2 5 9 1 1 1 1 1 1 3 9 4 4 5 4 0 1 1 2 6 10 10 5 17 4 1 2 1 2 5 7 6 4 7 8 13 5 9 5 10 19 13 9 5 5 5 11 4 11 4 3 4 4 8 10 17 47 100 9 7 2 3 1 2 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 3 3 1 1 2 3 6 4 3 5 7 4 4 5 7 26 13 25 52 21 5 4 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 51 51 s 2H | 38 37 dddt 1H J 15 31 75 90 | 27 27 d 2H J 91 | 22 21 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1
ir: 2 2 1 1 3 4 1 1 2 2 16 6 4 1 4 2 1 1 1 2 8 3 1 1 1 1 1 1 1 3 8 10 24 1 1 5 9 1 0 2 1 0 1 2 2 1 23 9 1 1 1 1 1 1 1 1 2 4 2 1 1 1 1 3 7 12 16 3 2 1 1 1 1 1 1 1 1 4 2 2 4 4 0 100 2 39 21 17 1 2 2 2 0 6 6 2 1 1 1 2 2 3 1 2 1 3 6 4 2 1 1 1 1 1 2 1 1 5 3 5 1 3 2 1 6 12 1 1 1 1 1 1 1 1 1 1 1 1 2 5 6 25 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 1 2 3 2 5 11 3 44 4 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; 1HNMR: 84 84 t 1H J 22 | 84 83 ddd 1H J 13 22 82 | 80 80 ddd 1H J 11 21 82 | 79 78 t 1H J 82 | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCCCC1=CC[C@H]1[C@@H]3CCC45OCCOC(C[C@@H]12)(OCCO4)[C@@]35/C=C\Cl
ir: 8 7 4 5 9 4 15 7 9 6 10 17 9 7 24 8 6 24 7 7 6 10 10 6 17 27 12 15 4 4 7 11 6 5 5 4 4 2 4 7 13 11 15 12 5 8 7 13 9 5 10 11 8 2 3 9 4 8 21 26 9 9 13 34 18 15 15 23 12 6 26 2 16 12 26 52 13 2 4 6 4 1 4 4 3 6 6 4 3 8 10 6 2 11 9 9 2 7 11 20 9 3 8 14 29 29 14 15 21 30 20 14 29 34 27 38 16 42 51 38 22 32 16 8 11 12 31 36 29 12 22 8 6 7 9 15 5 5 6 5 4 5 7 9 4 7 4 2 2 3 3 1 1 3 2 1 2 10 4 3 10 10 3 1 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 5 6 7 6 20 24 15 8 9 9 14 13 77 70 45 100 10 7 15 39 22 5 1 3 4 2 2 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0; 1HNMR: 62 62 d 1H J 59 | 58 57 dd 1H J 18 59 | 54 53 tdt 1H J 9 18 49 | 40 39 m 2H | 39 38 m 2H | 38 38 m 2H | 38 37 m 2H | 23 22 m 1H | 22 21 m 1H | 21 18 m 7H | 18 17 m 3H | 16 14 m 6H | 12 11 dtt 1H J 51 78 127 | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccnc(C(=O)O)c1
ir: 5 7 4 6 7 9 7 7 4 10 6 6 5 9 8 7 8 9 9 8 10 17 78 42 17 6 6 5 6 6 7 4 4 6 6 4 5 5 5 5 5 5 5 4 5 6 8 7 9 5 5 4 4 5 4 4 4 5 5 5 10 10 6 4 5 14 5 24 27 5 5 4 6 10 12 5 11 15 1 100 40 0 9 12 12 4 7 6 6 6 7 5 4 4 5 5 4 4 5 5 4 4 26 10 10 10 5 5 4 5 6 5 5 12 9 11 7 20 56 19 7 5 4 6 11 11 9 5 5 7 6 5 5 5 5 4 5 5 7 6 5 5 30 15 9 10 9 16 5 7 5 5 5 5 5 4 5 5 4 4 4 4 6 9 7 5 4 4 4 5 4 4 5 5 5 4 5 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 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 5 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 5 5 4 4 5 4 4 4 5 6 5 6 5 11 22 10 9 6 5 5 5 5 3 44 24 62 7 4 4 5 5 4 4 5 5 4 4 5 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 89 89 d 1H J 49 | 88 88 d 1H J 22 | 81 81 dd 1H J 22 49 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(COc2nc(C(=O)NC(C)(C)c3nccs3)ccc2Br)COC1
ir: 1 2 3 3 1 2 2 2 1 2 2 2 1 2 2 4 2 2 4 3 1 2 1 2 1 1 3 2 2 3 4 1 2 2 12 4 3 3 1 2 2 6 5 7 2 2 1 2 3 7 23 31 2 5 12 9 5 10 2 0 2 3 12 9 6 4 9 5 3 2 4 2 1 3 2 1 1 1 2 2 1 1 1 2 4 15 4 6 3 15 4 2 3 5 9 6 4 2 1 2 6 12 2 4 3 3 3 1 2 1 1 1 2 2 4 3 4 6 3 5 2 7 6 6 3 4 3 10 13 10 13 8 3 25 5 4 4 1 4 4 100 19 11 4 3 2 1 3 10 19 2 3 1 2 1 1 1 2 23 4 2 0 1 1 1 0 1 4 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 2 2 4 4 4 1 3 3 3 5 3 2 2 5 6 20 40 16 22 21 11 18 2 2 2 2 1 1 1 2 1 1 1 1 1 2 3 2 1 1 3 4 3 8 18 5 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 84 | 79 79 s 1H | 78 77 d 1H J 86 | 76 76 d 1H J 33 | 72 72 d 1H J 33 | 42 42 s 2H | 39 39 d 2H J 101 | 37 36 d 2H J 101 | 18 18 s 5H | 10 9 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2cc(Br)ccc21
ir: 0 4 8 4 0 4 8 4 2 7 10 10 9 7 9 4 2 6 7 3 2 9 13 3 2 10 13 3 2 7 6 3 3 6 6 3 5 32 16 1 9 53 6 4 7 12 6 5 8 10 6 1 4 8 4 1 5 8 4 0 5 10 20 14 24 15 22 17 11 19 9 3 8 7 4 7 12 8 5 10 15 12 13 8 7 8 3 7 14 8 15 18 35 14 11 11 10 7 9 15 29 7 6 7 8 7 5 6 7 5 1 4 7 4 1 4 8 5 3 7 11 8 5 6 11 10 22 12 11 9 32 8 7 8 11 7 7 6 6 8 7 3 4 9 32 26 9 12 7 3 4 7 5 2 3 6 5 2 3 7 6 2 4 11 6 2 6 8 4 1 4 7 5 1 5 8 4 2 4 7 4 2 6 12 8 4 8 14 7 8 6 6 3 2 5 6 3 2 5 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 6 36 33 73 32 23 100 45 28 5 7 9 4 3 6 7 4 3 6 6 3 3 10 18 16 20 12 13 20 13 10 6 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 77 77 d 1H J 81 | 76 75 dd 1H J 22 82 | 72 72 m 1H | 43 42 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCc1ccncc1
ir: 5 5 5 5 5 5 5 5 5 16 28 6 5 6 7 13 9 8 6 5 5 5 6 7 5 5 5 5 5 7 4 5 13 24 6 4 5 6 7 9 5 6 8 6 5 5 6 6 6 6 6 5 5 5 5 4 5 6 7 5 5 7 13 9 7 5 5 5 9 25 8 4 7 21 22 6 5 5 6 5 5 5 6 5 4 5 5 16 21 5 6 6 5 5 5 6 6 6 7 5 4 5 5 15 13 4 10 6 0 5 59 100 19 10 7 8 10 6 6 7 8 7 14 11 8 5 4 7 7 5 5 5 5 4 4 5 5 4 4 5 5 4 5 5 6 6 5 22 21 11 5 6 5 5 5 6 5 4 6 48 29 5 5 5 5 4 5 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 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 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 4 4 5 5 4 5 5 5 4 5 5 5 5 5 5 6 6 6 6 5 5 5 5 7 7 11 10 16 15 14 9 8 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 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 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 98 97 tt 1H J 9 53 | 85 85 m 2H | 71 71 dq 2H J 9 38 | 29 28 tt 2H J 9 82 | 28 27 tdd 2H J 10 55 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cc3c(N4CCC(c5nnc(-c6ccc(F)cc6)[nH]5)CC4)ncnc3[nH]2)ccn1
ir: 1 3 4 4 3 2 2 2 1 2 1 1 4 1 3 6 14 4 3 1 0 1 1 1 5 2 3 1 1 4 7 11 4 4 4 1 1 2 5 82 44 14 13 6 2 3 2 1 2 3 1 2 4 3 4 57 5 3 1 1 1 1 1 1 9 4 7 18 5 6 1 1 1 3 4 1 6 13 4 9 3 3 4 17 10 5 1 3 7 12 2 1 2 3 9 1 3 5 5 16 8 3 1 2 3 2 3 1 4 1 6 8 3 3 4 2 2 2 4 2 1 2 1 2 4 4 2 3 2 1 1 6 3 3 2 3 9 3 4 0 4 17 1 4 3 1 23 43 4 8 5 3 12 11 11 100 4 4 6 5 1 0 1 4 4 2 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 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 1 0 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 2 1 1 1 1 0 0 2 2 3 5 5 10 51 8 5 7 3 1 2 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 3 3 4 7 22 51 7 3 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0; 1HNMR: 90 90 s 1H | 83 82 s 1H | 82 82 d 1H J 46 | 80 79 s 1H | 79 79 m 2H | 73 72 m 2H | 72 72 dd 1H J 22 46 | 71 71 d 1H J 22 | 41 41 ddd 2H J 67 94 136 | 40 39 s 3H | 39 38 ddd 2H J 67 94 136 | 34 33 p 1H J 48 | 21 20 m 2H | 19 18 dddd 2H J 48 67 93 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(/C=C/CC(C)COCc1ccccc1)CCO
ir: 13 2 4 2 2 1 1 2 3 2 0 2 2 1 2 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 12 18 2 4 2 3 3 1 3 64 7 5 3 2 5 2 1 1 1 1 1 1 2 1 1 2 1 4 2 2 3 3 3 8 12 7 7 2 6 4 1 2 12 4 3 9 13 14 6 3 3 5 2 5 10 7 9 7 28 32 100 44 9 1 6 3 0 4 5 3 2 2 5 3 1 3 6 2 1 3 4 2 0 1 4 3 1 4 5 9 17 5 3 2 2 5 4 2 1 2 2 3 5 4 6 22 4 2 1 2 1 3 8 10 7 3 4 4 1 1 1 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 5 2 3 2 4 3 4 4 14 27 25 33 49 23 7 9 6 5 7 9 11 19 3 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 73 m 2H | 73 73 m 3H | 55 54 dtdd 1H J 9 18 62 153 | 54 53 ddtd 1H J 10 22 67 156 | 45 44 m 2H | 37 36 dtd 1H J 53 61 114 | 36 35 m 2H | 33 32 dd 1H J 53 110 | 30 29 t 1H J 53 | 23 22 m 1H | 22 21 m 1H | 19 18 dddt 1H J 11 62 84 151 | 18 17 m 1H | 17 16 m 1H | 14 13 m 1H | 11 10 dd 3H J 10 69 | 10 9 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COC(=O)c2ccccc2O1
ir: 8 9 8 3 1 4 6 4 2 8 14 6 9 20 12 4 1 7 24 14 2 5 5 2 2 6 9 3 2 5 5 4 6 6 5 1 5 14 11 2 2 9 100 65 30 5 9 11 8 7 3 1 3 6 4 0 3 9 12 7 4 6 3 1 4 6 5 14 6 8 5 1 4 5 6 5 5 5 2 2 6 6 3 9 5 4 2 2 5 5 2 6 7 4 1 7 11 4 1 3 5 7 3 11 8 6 1 3 9 7 15 14 7 4 1 3 6 3 1 5 15 19 15 23 12 17 8 6 5 3 2 4 5 3 3 12 16 27 12 5 5 3 3 7 41 20 30 30 10 4 9 21 4 3 6 21 18 1 2 16 11 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 4 2 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 5 7 6 7 4 2 4 4 5 3 10 18 18 70 43 13 3 0 4 6 3 3 5 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 5 3 2 3 5 3 1 3 5; 1HNMR: 79 79 dd 1H J 15 79 | 76 75 ddd 1H J 16 77 84 | 73 72 m 2H | 50 50 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)CC1
ir: 3 3 2 1 2 3 2 1 1 1 2 1 2 0 0 0 1 0 1 1 2 3 1 0 1 0 0 0 5 4 1 1 0 0 1 1 2 3 6 9 22 7 6 6 11 2 2 0 2 1 0 0 1 3 6 11 14 3 1 4 2 1 0 0 1 1 1 4 1 17 2 1 1 1 3 4 1 2 1 1 0 1 0 1 4 1 4 8 1 8 3 1 1 1 0 1 1 1 3 5 14 8 5 12 14 3 3 4 3 2 1 1 2 3 0 4 3 1 8 2 2 2 1 1 1 1 1 3 2 5 1 2 1 1 1 2 2 2 1 1 2 2 9 14 3 6 2 1 2 2 5 2 1 0 1 0 0 0 0 0 0 0 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 1 0 1 1 1 4 1 1 1 1 1 0 1 2 7 3 4 9 3 1 1 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 1 6 100 8 3 11 4 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 58 | 79 78 m 2H | 75 75 m 2H | 42 42 d 1H J 97 | 35 35 td 2H J 58 67 | 33 32 m 3H | 29 28 dq 1H J 67 134 | 28 28 ddd 2H J 52 80 130 | 26 26 m 2H | 20 19 ddt 2H J 56 81 119 | 18 17 m 2H | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cnc2oc(C(C)(O)c3ccnc(C)c3)cc2c1
ir: 3 3 3 5 0 3 8 5 4 2 3 1 1 3 1 2 2 3 3 3 2 7 6 2 1 1 1 1 2 5 5 3 3 2 3 5 19 26 12 8 4 2 4 4 2 2 3 1 1 1 1 2 1 1 1 2 1 4 2 1 2 1 3 8 6 2 3 8 4 3 10 7 6 11 14 7 2 5 5 1 3 1 1 4 4 5 4 4 9 4 4 5 5 3 3 4 4 5 4 2 3 6 3 3 1 1 2 5 7 8 4 3 3 7 7 12 13 5 7 5 5 5 5 10 6 4 7 6 15 10 7 2 2 16 3 1 2 8 2 1 1 0 3 15 18 9 20 6 5 5 4 3 2 0 1 15 2 0 1 2 4 24 4 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 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 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 1 1 1 2 2 2 3 2 5 9 5 16 19 32 8 3 1 2 4 100 4 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 40 | 83 83 dt 1H J 8 17 | 79 78 tt 1H J 8 17 | 76 75 dd 1H J 22 40 | 71 71 d 1H J 21 | 69 69 d 1H J 22 | 42 41 q 2H J 66 | 39 39 s 1H | 37 37 t 2H J 9 | 25 24 s 3H | 18 18 s 3H | 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.
CCCNc1cc(F)ccc1C(=O)N(C)OC
ir: 1 1 0 1 3 3 5 3 1 2 3 2 3 4 3 1 2 3 2 1 5 4 8 11 19 8 9 4 5 6 3 1 1 5 1 1 1 2 1 1 1 13 3 1 3 2 1 0 1 1 1 1 1 2 4 3 5 3 1 0 1 1 1 2 6 10 10 16 2 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 2 3 2 1 0 0 0 1 4 3 1 0 1 2 1 1 1 1 0 2 2 1 2 1 1 1 3 2 3 2 12 5 5 6 3 4 4 1 3 1 1 1 0 1 3 3 23 2 1 1 1 2 7 5 2 1 1 12 1 2 3 3 6 100 3 3 1 0 1 1 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 3 3 1 8 6 9 5 2 1 1 0 1 0 0 0 0 0 0 0 0 1 1 2 4 2 8 8 18 23 21 6 2 1 2 3 0 0 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 1H J 50 85 | 75 75 t 1H J 49 | 70 69 ddd 1H J 22 85 104 | 67 67 dd 1H J 22 122 | 36 35 s 3H | 33 32 q 2H J 52 | 31 31 s 3H | 17 16 qt 2H J 52 71 | 11 10 t 3H J 70
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)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(Br)nccc12
ir: 3 5 4 10 6 8 11 6 5 4 3 5 4 3 4 20 4 4 6 3 4 4 6 4 4 7 22 100 20 11 12 12 7 10 9 11 19 10 15 10 9 4 3 6 4 3 4 10 6 22 5 5 4 6 17 13 5 3 3 3 4 4 3 3 4 5 4 4 3 7 9 9 6 4 18 6 5 5 5 6 12 12 6 6 6 16 4 3 3 14 14 9 4 4 4 3 4 6 7 6 5 4 6 12 16 6 7 13 9 4 3 5 7 19 21 6 3 7 9 5 4 7 7 7 7 8 22 15 12 24 20 50 18 17 22 52 24 14 17 8 13 28 12 42 3 7 5 12 11 13 20 5 24 14 19 4 3 13 16 0 12 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 2 3 3 3 3 5 4 3 3 4 4 4 5 8 7 9 8 31 26 7 11 10 6 4 3 3 3 4 3 3 2 3 3 2 3 2 3 3 3 7 12 7 17 11 3 38 17 3 4 3 4 4 5 3 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 87 87 dd 1H J 16 42 | 85 84 m 2H | 82 82 d 1H J 45 | 79 79 dd 1H J 14 79 | 79 78 m 1H | 75 74 ddd 1H J 13 42 73 | 42 41 m 2H | 39 37 m 6H | 14 13 d 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccnc1-c1cc2cccnc2c(=O)[nH]1
ir: 3 2 1 4 14 22 6 2 4 2 1 2 3 5 1 3 3 1 1 3 7 3 14 8 25 13 12 5 2 1 1 2 3 2 3 4 8 13 15 54 66 45 100 11 13 5 7 10 51 16 12 10 8 3 3 3 3 3 3 12 12 7 8 14 5 2 5 4 4 3 4 5 2 2 3 3 5 2 4 5 2 2 9 6 50 20 4 2 4 2 3 2 2 1 2 2 9 1 2 2 2 3 8 4 19 6 8 5 5 6 76 8 1 2 4 2 0 2 4 3 1 3 24 5 6 33 13 22 12 3 3 5 3 26 4 4 6 10 29 63 20 5 3 8 31 40 13 3 4 3 9 2 2 14 43 13 9 3 7 11 6 4 21 4 2 3 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 3 2 2 2 3 4 2 3 4 9 5 7 10 3 64 39 10 12 6 1 2 3 2 0 2 3 2 1 2 2 1 1 2 3 3 8 8 37 37 25 16 10 3 5 2 2 1 2 2 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 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; 1HNMR: 99 99 s 1H | 87 86 dd 1H J 22 40 | 85 84 dd 1H J 21 41 | 80 80 dd 1H J 21 80 | 76 76 m 2H | 74 74 s 1H | 73 72 dd 1H J 41 78 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1c(=O)n(C)c(=O)c2c(N[C@H]3CCNC3)n(Cc3ccc(-c4ccccc4)cc3)nc21
ir: 3 2 5 8 3 4 4 3 2 3 2 4 3 3 11 6 5 5 5 3 1 2 2 2 4 3 1 2 4 6 11 18 14 15 6 8 5 3 6 16 31 22 15 5 7 7 4 4 2 6 6 7 10 32 51 23 9 15 16 16 8 16 9 7 5 3 5 11 5 5 5 9 2 3 5 3 3 2 2 4 2 2 1 1 9 2 0 3 8 13 2 1 3 2 2 2 2 2 1 2 4 2 2 1 3 5 7 33 6 17 19 15 4 11 11 5 14 7 8 5 1 4 9 14 20 13 18 6 3 3 9 6 10 8 4 24 9 15 4 3 5 5 40 5 4 1 1 4 19 2 1 3 7 3 5 4 18 18 3 1 12 6 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 1 1 1 1 2 3 2 4 3 3 2 5 6 13 11 16 100 20 3 5 7 2 1 2 2 2 1 2 3 3 3 6 7 8 7 86 13 12 12 27 54 32 29 12 1 3 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 0 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: 76 76 m 2H | 75 75 dt 3H J 15 79 | 75 74 m 2H | 74 73 m 3H | 53 52 t 2H J 9 | 43 42 ddq 1H J 19 39 78 | 41 40 d 2H J 64 | 35 34 s 2H | 32 32 dtd 1H J 18 32 139 | 31 30 m 2H | 29 28 dtd 1H J 11 27 127 | 24 23 m 1H | 20 20 ddt 1H J 19 38 136 | 19 18 tt 1H J 28 38 | 18 17 dtd 1H J 15 36 136 | 10 9 d 5H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(Cl)c1
ir: 1 1 1 2 1 1 4 1 2 2 1 2 4 3 2 2 1 1 1 1 2 5 8 2 1 1 1 13 54 6 3 1 1 2 2 1 2 8 3 2 2 1 4 1 1 2 3 1 1 1 2 1 3 4 9 10 17 4 2 1 2 2 3 1 4 12 29 12 2 5 6 3 1 1 2 1 1 1 1 1 1 2 1 2 3 2 2 3 2 1 1 2 2 1 2 2 4 5 15 1 2 2 1 1 4 3 5 6 11 9 3 2 3 2 0 2 5 4 2 14 7 6 7 8 12 91 25 3 2 3 6 5 2 3 3 7 1 6 5 5 3 16 35 100 6 3 2 2 2 4 6 11 3 1 1 2 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 3 2 2 2 5 2 3 3 7 4 5 8 22 33 28 10 31 16 4 4 3 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 21 | 76 76 dd 1H J 22 82 | 73 73 dd 1H J 7 81 | 33 32 m 1H | 26 26 s 3H | 19 19 dd 2H J 59 130 | 17 16 dd 2H J 59 130 | 14 14 s 2H | 10 10 s 5H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cn3cccnc3n2)ccc1O
ir: 2 1 2 6 9 17 8 18 11 20 50 12 7 5 8 2 5 2 1 1 0 1 3 3 1 1 2 1 4 2 1 1 1 1 1 3 2 1 1 3 4 2 2 4 12 1 1 1 9 0 3 10 55 11 45 4 6 6 6 1 1 2 2 1 15 9 3 15 8 6 2 1 3 3 4 3 4 9 86 17 9 18 5 3 4 2 2 10 8 3 1 15 17 2 1 1 3 2 26 7 2 2 23 2 2 1 0 1 1 1 0 0 1 1 0 1 1 1 1 3 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 3 10 1 1 2 2 7 1 2 14 10 7 2 4 6 6 6 7 13 11 13 10 3 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 4 6 11 19 18 11 20 53 13 5 4 100 30 3 2 2 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 dd 1H J 15 79 | 86 86 dd 1H J 15 75 | 83 83 d 2H J 130 | 74 74 dd 1H J 17 92 | 73 73 d 1H J 17 | 72 72 t 1H J 77 | 69 69 d 1H J 92 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(OCC#N)ccc2cc(Br)ccc12
ir: 0 2 4 6 2 1 2 1 0 2 3 2 2 3 5 10 9 6 5 6 4 5 6 5 3 8 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 7 44 37 58 12 4 4 4 17 5 2 1 3 2 6 19 36 20 4 3 3 3 2 3 3 2 1 1 2 4 1 1 2 2 2 3 3 3 3 2 2 5 22 5 3 2 1 1 2 2 0 1 4 3 5 37 7 3 2 1 1 1 1 2 2 3 3 10 9 2 1 2 2 2 1 2 2 1 1 2 3 7 9 2 2 1 1 2 2 1 2 3 4 8 2 3 2 1 3 14 15 2 1 2 4 21 17 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 1 2 2 2 1 2 2 2 2 3 3 4 13 11 8 23 100 62 13 5 3 4 7 3 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 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 t 1H J 21 | 79 79 d 1H J 82 | 78 78 dd 1H J 21 85 | 76 76 dd 1H J 22 82 | 70 70 d 1H J 84 | 49 49 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1C1CCCOC1
ir: 13 7 2 6 9 11 3 5 14 10 9 7 9 3 1 5 9 3 1 5 6 1 2 5 6 9 4 6 8 3 2 5 7 1 1 7 6 5 10 41 37 17 29 31 10 8 5 8 7 8 7 10 9 4 9 22 17 42 21 10 5 3 4 7 3 1 9 8 19 7 4 7 10 3 9 8 8 5 17 6 2 2 4 8 4 2 5 13 12 31 15 11 7 6 9 6 10 21 9 8 7 8 7 4 2 4 8 6 3 10 9 9 18 9 8 6 1 4 7 6 2 5 8 8 7 9 7 4 3 16 15 5 40 15 11 12 27 11 15 4 4 51 26 6 6 10 8 6 12 40 12 3 21 8 16 7 17 5 6 1 2 5 4 1 2 6 3 0 3 5 3 0 3 5 2 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 4 1 2 5 3 2 5 9 5 4 4 7 6 3 7 17 18 10 34 100 77 25 47 22 7 8 6 7 3 2 4 5 2 1 4 4 2 2 3 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 85 84 dd 1H J 13 87 | 80 79 d 1H J 26 | 77 77 d 1H J 18 | 77 76 m 2H | 76 75 ddd 1H J 23 78 88 | 75 74 m 2H | 75 74 dt 2H J 9 86 | 65 65 dd 1H J 18 26 | 47 47 t 2H J 8 | 40 39 m 2H | 37 37 dd 1H J 26 118 | 37 35 m 2H | 20 19 dddd 1H J 41 60 87 137 | 19 18 m 1H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=NNC(=O)c1ccccc1)c1nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]1
ir: 7 7 13 6 2 7 9 11 5 5 9 5 7 11 19 8 12 3 7 3 2 5 7 3 4 5 5 7 5 9 16 7 16 31 24 8 8 10 11 32 24 49 23 10 5 4 5 4 5 3 6 2 6 2 6 2 3 2 9 5 3 3 3 4 4 7 11 11 25 12 6 7 5 9 6 4 11 5 8 10 18 11 13 5 26 31 46 31 46 43 59 16 8 19 18 12 18 11 8 8 14 7 5 8 5 7 5 3 6 5 4 6 8 5 13 11 7 8 8 5 7 6 7 9 6 13 10 5 3 4 5 5 2 6 23 100 25 17 8 21 14 22 37 16 11 5 5 4 4 2 7 13 7 1 6 6 3 1 9 4 2 1 1 3 2 3 4 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 2 2 2 3 2 2 9 3 4 3 6 11 11 7 9 17 11 10 15 16 37 10 80 97 62 33 17 5 9 6 16 94 73 37 25 5 5 5 2 2 3 4 3 3 6 8 16 23 14 11 3 5 3 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1; 1HNMR: 79 79 m 2H | 76 75 m 4H | 72 72 m 1H | 52 51 m 1H | 50 50 d 1H J 53 | 46 46 t 1H J 56 | 45 45 d 1H J 59 | 44 43 d 1H J 56 | 42 41 ddd 1H J 59 71 84 | 39 38 ddt 1H J 47 57 84 | 38 37 ddd 1H J 46 55 117 | 36 35 ddd 1H J 48 56 119 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2nc3scc(C)c3c(=O)n2c1
ir: 4 2 1 2 2 1 1 2 4 15 39 43 7 2 0 2 4 1 1 3 14 35 21 7 20 21 22 6 3 3 32 36 38 19 3 2 1 1 1 1 4 3 1 2 2 1 1 2 4 4 37 33 14 1 3 13 8 9 6 6 25 27 3 2 5 5 6 22 2 6 11 4 1 1 2 5 2 0 2 6 17 3 1 2 2 1 2 1 1 1 2 5 1 1 1 1 1 2 2 1 1 1 3 18 34 4 2 1 1 2 22 3 2 2 4 3 11 20 11 9 19 62 14 6 12 15 10 5 6 2 2 1 1 2 4 27 7 2 2 3 1 2 2 0 4 21 10 27 71 0 31 14 3 1 3 3 11 13 5 25 75 1 1 2 2 4 14 8 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 2 1 1 3 2 0 4 7 13 6 7 20 33 100 44 27 19 11 6 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 d 1H J 14 | 77 77 m 2H | 69 69 d 1H J 8 | 38 37 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=COCCOCCOCCO
ir: 2 2 2 1 2 1 2 3 4 2 1 1 1 2 1 3 3 1 1 0 0 1 1 1 1 0 1 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 2 2 1 3 2 2 1 4 4 6 10 3 3 1 1 1 1 1 0 1 1 1 2 3 8 12 9 10 8 5 4 4 3 2 6 5 4 1 1 1 1 1 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 4 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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 3 1 2 2 4 2 4 2 5 2 3 7 11 9 31 100 82 47 8 1 3 3 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 1 0 1 0 0 1 1 0 0 0 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; 1HNMR: 65 64 ddt 1H J 9 97 152 | 42 41 dd 1H J 27 99 | 41 40 dd 1H J 27 152 | 40 39 td 2H J 9 57 | 38 37 m 4H | 37 36 s 4H | 37 36 t 2H J 46 | 31 30 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCc1cc(Br)cnc1N
ir: 14 10 7 14 6 6 5 5 9 13 24 8 12 11 9 24 3 9 5 8 7 5 7 14 8 4 4 2 5 3 4 3 4 4 5 14 20 24 20 14 16 8 12 2 7 5 7 6 7 9 6 5 5 5 5 8 6 3 3 4 3 2 4 3 6 5 2 6 7 4 5 5 5 5 3 2 2 5 3 1 2 1 3 5 3 6 9 15 7 3 10 17 9 7 3 3 2 2 5 5 1 3 3 2 3 3 2 2 1 2 2 2 1 2 2 2 1 1 3 6 4 4 2 1 2 2 6 4 5 8 5 9 8 3 3 3 3 5 2 3 3 5 4 6 5 16 35 46 18 24 39 60 34 75 65 10 8 7 9 7 5 3 3 0 1 3 1 0 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 2 0 1 1 1 1 1 1 2 1 2 1 1 1 1 2 3 1 2 4 4 4 5 4 4 6 3 2 1 2 3 2 1 1 1 2 1 1 2 3 4 22 21 13 2 1 1 2 1 1 1 2 2 20 100 47 3 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 79 79 d 1H J 18 | 74 74 dt 1H J 8 17 | 53 53 s 2H | 28 27 td 2H J 9 87 | 26 26 t 2H J 61 | 23 23 s 5H | 19 19 tt 2H J 62 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cc(=O)n3ncc(C(N)=O)c3[nH]2)ccc1Cl
ir: 5 5 5 4 7 5 4 6 5 6 5 6 13 11 27 9 9 30 7 5 10 7 10 13 11 5 8 5 5 6 5 5 5 5 5 5 5 5 5 6 5 4 15 47 8 6 5 3 5 6 5 6 5 5 11 8 5 7 5 3 16 34 85 13 8 8 8 13 13 9 6 6 11 10 8 14 7 6 5 6 8 5 4 4 5 5 5 7 9 5 5 5 9 6 4 5 5 7 5 5 5 6 5 5 5 5 4 5 20 8 5 5 4 5 4 5 6 5 5 6 6 5 5 5 6 6 6 8 6 5 4 5 6 4 3 6 8 0 100 3 5 9 13 6 4 5 11 6 8 17 5 4 5 5 7 10 18 10 52 75 26 32 6 4 6 11 14 5 5 6 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 5 6 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 6 10 21 20 13 6 6 6 5 5 5 4 5 5 4 4 5 4 5 28 52 6 6 5 7 7 21 19 17 49 18 9 60 49 7 5 5 5 5 4 5 5 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 4 4 4 4 4; 1HNMR: 93 93 s 1H | 83 82 d 3H J 29 | 76 76 dd 1H J 20 81 | 75 75 d 1H J 81 | 74 74 d 1H J 20 | 59 59 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)c1cc(C(=O)c2ccccc2)no1
ir: 3 3 4 2 1 3 3 2 1 4 3 3 1 3 4 3 14 3 3 1 2 2 2 1 1 2 2 1 1 3 8 16 8 3 5 4 2 5 5 38 18 1 2 4 5 6 1 2 1 2 1 1 3 1 3 1 2 3 1 2 2 2 3 1 2 3 3 5 4 4 4 2 6 7 8 13 6 6 3 3 2 2 3 5 8 13 9 13 13 33 23 5 5 5 6 3 5 5 3 2 7 4 6 3 3 2 0 2 4 2 0 1 3 2 4 20 32 12 5 5 22 6 4 6 5 3 1 3 4 2 2 2 4 2 2 8 2 1 1 8 3 2 43 7 3 6 18 4 2 1 1 2 12 1 1 2 2 14 11 2 3 1 2 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 3 3 5 4 5 3 4 7 3 12 5 5 3 3 7 11 5 4 8 10 19 33 16 92 10 17 20 34 80 89 100 37 19 8 4 6 2 6 3 3 3 3 2 5 3 1 3 3 3 5 4 3 2 2 2 3 3 4 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 76 76 m 1H | 76 75 m 2H | 69 68 s 1H | 50 49 m 1H | 35 34 d 1H J 62 | 21 20 dqd 1H J 60 74 146 | 18 17 m 1H | 10 9 td 3H J 14 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCCCc2ccccc2O)cc1
ir: 2 3 2 2 4 3 7 13 16 3 8 4 7 5 5 3 5 2 1 2 3 2 1 2 3 1 2 2 2 2 2 2 2 2 2 3 7 7 3 3 14 17 37 48 4 4 3 3 7 6 3 6 19 35 20 14 5 3 4 3 12 10 10 20 5 2 3 3 5 47 7 10 6 8 10 15 8 19 11 7 1 1 3 3 7 23 29 9 6 7 9 18 4 2 4 3 7 16 13 5 1 3 7 12 9 5 7 4 1 2 2 2 0 2 2 2 0 3 8 4 3 2 2 3 3 4 6 5 3 5 2 1 1 2 4 4 5 24 25 2 3 4 14 25 11 4 9 29 55 40 5 5 8 5 2 4 2 2 2 4 1 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 1 3 4 2 3 6 13 22 14 28 52 50 9 9 2 5 10 4 100 11 1 2 3 1 0 2 2 1 0 1 2 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 71 ddt 1H J 9 19 80 | 71 70 td 1H J 18 81 | 70 70 dt 2H J 9 85 | 70 69 td 1H J 14 79 | 68 68 m 2H | 68 67 dd 1H J 15 83 | 49 49 s 1H | 38 38 s 2H | 27 27 td 2H J 8 81 | 27 26 tt 2H J 9 79 | 17 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(-c3nc4ccccc4s3)cs2)n1
ir: 2 5 5 14 4 6 6 5 7 7 12 16 19 14 17 7 3 2 9 6 5 6 4 1 2 2 1 4 7 9 6 0 6 3 32 14 7 11 4 6 4 3 24 10 10 10 24 73 4 7 12 12 3 18 5 3 2 5 2 1 2 2 2 3 3 3 3 2 20 62 69 31 17 12 20 14 3 5 9 5 3 2 4 2 4 16 8 7 44 13 99 100 8 5 1 4 7 4 4 1 5 4 2 6 8 11 6 2 1 2 1 3 3 6 7 5 7 6 2 3 4 3 3 4 1 1 1 1 1 2 1 2 2 8 2 6 3 13 5 12 6 5 9 12 6 3 9 7 3 8 3 4 2 6 5 3 2 3 2 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 1 2 2 7 3 2 2 2 2 1 4 8 17 16 32 16 14 4 3 2 1 1 1 0 1 1 1 0 1 1 1 1 2 3 3 10 10 5 5 2 2 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 16 | 80 79 dd 2H J 17 88 | 79 79 dd 1H J 15 76 | 75 74 td 1H J 15 73 | 74 73 td 1H J 14 75 | 67 67 t 1H J 9 | 42 41 q 2H J 66 | 36 35 d 2H J 7 | 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=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)[C@@H]1CCCC[C@H]1CO
ir: 16 7 7 14 15 8 5 5 3 4 3 8 37 5 3 22 4 12 19 40 24 24 16 5 1 2 3 3 3 7 4 1 4 4 1 1 2 1 2 2 9 7 2 2 3 1 6 4 4 3 12 12 5 6 53 31 37 19 3 2 1 3 1 5 22 8 15 0 3 11 2 2 3 3 4 3 4 13 5 6 3 5 3 100 14 7 11 35 22 13 17 19 31 33 12 19 35 25 16 9 8 8 10 7 9 1 2 2 1 1 2 6 6 3 3 6 5 3 2 3 4 2 17 13 7 9 3 2 4 2 1 2 4 1 1 2 2 9 2 1 1 2 2 12 3 9 37 7 20 5 24 3 15 1 2 1 1 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 3 1 2 2 2 1 2 3 5 10 23 20 68 80 39 17 9 11 61 7 6 5 4 0 1 1 1 1 1 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 92 92 s 1H | 80 79 m 2H | 77 76 m 2H | 76 76 dt 2H J 10 94 | 75 75 m 2H | 46 45 dt 1H J 9 132 | 44 44 dt 1H J 9 133 | 38 37 m 1H | 36 35 dt 1H J 59 115 | 34 33 ddd 1H J 47 74 88 | 30 29 t 1H J 59 | 19 13 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cnc(N)nc2-c2cccs2)ccc1=O
ir: 3 3 2 2 1 2 2 1 3 2 4 1 1 3 2 1 1 1 2 2 2 4 3 5 6 6 3 3 5 2 4 2 2 1 2 1 2 4 8 15 9 7 7 3 1 1 2 2 1 2 1 1 1 2 3 6 11 17 9 2 2 2 1 1 1 2 1 1 1 1 1 2 3 2 1 0 1 1 0 1 1 1 3 2 1 1 1 0 0 1 0 0 1 2 1 1 2 1 0 1 1 1 0 1 1 2 3 1 0 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 6 1 1 1 4 1 1 1 1 2 2 6 7 3 2 5 13 38 24 7 6 13 16 3 2 2 1 1 1 11 10 1 1 0 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 2 1 1 3 3 5 1 4 6 6 2 1 1 1 0 1 1 1 0 1 2 1 3 3 9 10 1 1 2 1 1 1 1 0 0 2 32 100 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 79 79 d 1H J 92 | 75 75 dd 1H J 17 50 | 75 74 dd 1H J 17 70 | 72 72 dd 1H J 49 70 | 69 68 d 1H J 92 | 66 66 s 2H | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(C(N)=O)c(Nc2ccc(C3CCNCC3)cc2)nc1N[C@@H]1CC[C@@H](O)CC1
ir: 2 2 3 2 5 5 4 5 2 1 1 2 2 2 7 21 13 20 5 9 9 7 2 6 12 12 9 2 2 8 2 3 3 4 3 2 4 2 3 8 4 6 8 9 5 3 3 10 6 6 3 7 5 8 10 13 6 10 5 4 3 1 0 1 2 2 3 1 1 2 2 3 4 23 4 2 2 2 2 2 4 2 1 1 2 2 5 16 6 13 4 5 4 2 2 1 3 8 5 2 2 2 1 2 1 2 4 5 5 3 2 4 10 6 51 19 9 1 2 1 2 2 4 3 4 13 9 15 14 6 4 11 10 2 3 4 5 4 12 8 3 20 4 3 3 1 1 1 1 6 1 1 5 3 22 6 2 4 7 46 3 1 1 2 52 10 3 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 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 2 1 2 2 4 3 2 2 3 1 2 3 2 5 6 2 7 18 2 3 1 4 3 7 19 21 21 2 4 2 1 3 2 1 4 42 8 33 9 18 24 26 13 4 6 2 4 4 100 3 1 1 1 1 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 74 74 d 1H J 93 | 72 72 m 2H | 71 71 m 3H | 38 37 m 2H | 31 31 dddd 2H J 27 38 55 134 | 29 27 m 6H | 24 23 p 1H J 38 | 22 21 dtd 2H J 27 57 140 | 19 16 m 11H | 14 13 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnn1-c1ccc(C(F)(F)F)cc1
ir: 8 4 0 3 5 2 1 4 5 2 1 4 5 2 1 4 6 2 1 5 21 22 25 10 5 2 2 4 4 1 1 4 4 1 2 4 4 1 3 6 7 10 60 56 7 2 3 3 3 2 2 4 3 3 8 67 38 3 4 5 3 0 3 4 2 0 3 5 3 1 3 6 3 1 3 4 2 1 3 4 2 1 5 4 1 2 8 8 2 2 4 4 2 3 4 4 0 2 30 18 14 8 4 3 1 3 4 3 1 3 4 5 10 6 4 3 1 3 6 6 1 3 6 6 5 3 4 5 5 6 4 3 6 8 3 3 8 41 100 2 1 5 5 1 1 5 4 0 2 12 38 6 8 6 4 1 2 6 4 0 37 24 3 3 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 1 3 5 3 1 22 34 25 9 6 4 3 2 3 4 2 2 3 4 4 3 3 4 2 3 4 4 5 20 11 62 17 6 4 3 2 2 4 6 4 3 3 4 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 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: 82 82 d 1H J 51 | 78 78 dq 2H J 14 63 | 78 78 m 2H | 75 75 d 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1
ir: 3 3 4 2 2 5 5 5 7 5 4 6 10 13 13 20 4 10 23 39 62 89 22 8 15 8 6 7 14 15 8 4 4 4 4 5 6 30 17 10 7 13 44 100 49 12 5 8 5 6 2 3 4 10 32 23 10 4 8 8 2 0 2 4 2 1 4 6 11 10 6 6 2 2 10 16 8 62 57 21 12 9 5 8 4 5 6 5 3 4 3 12 4 4 2 4 5 4 6 3 4 3 10 15 51 7 15 14 12 10 3 5 7 3 4 3 2 5 4 3 2 4 4 6 5 4 4 4 6 4 5 6 7 8 27 38 7 6 2 4 13 18 11 19 8 8 19 15 88 53 31 16 9 33 50 14 9 3 3 1 11 3 9 3 3 7 4 3 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 3 3 4 5 3 4 7 6 5 15 11 16 33 62 20 26 10 12 5 4 3 5 4 26 11 4 2 2 2 3 2 3 5 7 9 5 47 64 77 9 5 2 3 2 2 3 3 2 2 2 3 3 2 2 2 2 2 2 1 1 2 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 84 84 s 1H | 80 80 m 2H | 78 78 m 2H | 76 75 m 4H | 74 73 m 2H | 73 72 m 2H | 70 70 tt 1H J 11 68 | 35 34 dddt 1H J 17 39 57 95 | 29 28 dddt 1H J 18 36 59 95 | 21 20 m 1H | 20 19 m 1H | 19 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc(Cl)nc(Nc3ncc(Cl)cc3Br)c2=O)cc1
ir: 1 4 3 5 5 2 4 3 3 5 5 7 8 9 8 8 5 11 8 7 3 4 10 13 21 20 6 8 54 23 6 8 12 16 7 12 8 31 11 2 2 7 6 4 2 3 3 3 6 10 8 1 6 3 6 18 7 3 5 10 8 4 4 15 5 15 10 6 3 4 2 2 1 0 1 1 1 0 1 1 2 2 4 2 1 2 4 23 5 5 3 1 1 1 6 11 6 29 16 10 9 6 4 4 3 1 2 4 1 5 1 1 0 1 2 5 4 4 4 13 9 9 3 4 4 2 2 1 2 4 3 1 5 13 6 5 8 11 22 7 3 2 1 7 10 34 17 11 27 23 22 19 21 7 3 2 2 10 40 2 14 7 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 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 2 3 3 1 14 20 24 8 10 3 2 4 1 0 1 1 0 0 1 1 1 1 1 1 2 1 1 4 14 46 100 8 8 31 5 7 2 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 80 80 d 1H J 18 | 79 79 d 1H J 16 | 73 72 dt 2H J 9 86 | 68 68 m 2H | 65 65 t 1H J 9 | 51 50 q 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CC(=O)O)CC(=O)N1
ir: 3 2 0 2 4 2 1 2 4 4 8 10 21 6 4 12 24 5 10 14 29 74 24 39 17 16 10 3 2 3 3 3 2 3 4 4 8 11 56 36 57 19 32 5 7 13 11 5 5 3 4 3 5 2 2 2 2 2 1 3 1 4 3 15 10 2 3 4 3 3 4 5 9 1 5 9 6 5 43 71 11 7 6 4 8 5 3 3 4 3 2 2 3 2 3 2 4 3 3 3 2 5 5 7 4 5 10 11 3 2 2 1 2 2 2 2 4 4 5 9 7 3 2 9 6 3 5 5 4 6 10 14 9 3 4 7 13 11 5 5 4 4 8 16 11 4 2 6 4 0 1 8 24 43 21 0 3 4 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 3 2 2 4 4 3 3 3 2 3 6 5 19 5 7 11 2 1 2 3 2 2 2 4 100 93 5 2 1 2 2 2 2 2 2 2 2 4 11 19 21 2 3 2 1 2 2 2 2 4 3 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 69 69 s 1H | 30 29 d 1H J 161 | 29 28 d 1H J 176 | 27 27 d 1H J 161 | 26 26 d 1H J 176 | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)cc(N)cc1-c1ccc2nc(N)ncc2c1
ir: 7 3 4 3 3 2 2 3 3 3 2 2 4 3 2 3 3 2 2 2 2 2 2 4 3 4 2 3 3 3 4 3 3 2 2 3 3 1 2 2 2 2 2 3 2 5 6 3 3 3 2 2 2 1 2 2 11 2 4 2 2 2 2 2 2 2 3 6 2 3 2 2 2 2 2 2 2 2 2 2 3 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 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 3 3 2 3 4 8 19 16 22 7 6 17 4 16 5 1 6 5 9 3 3 2 2 3 5 8 2 2 2 10 3 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 1 2 2 2 1 2 2 2 2 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 1 1 2 2 1 1 2 2 1 1 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 3 9 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 11 21 6 2 1 2 2 1 1 3 3 0 100 13 12 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 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; 1HNMR: 95 95 d 1H J 17 | 81 81 t 1H J 19 | 80 80 d 1H J 81 | 79 79 dd 1H J 20 81 | 68 68 d 1H J 22 | 68 67 d 1H J 20 | 63 62 s 2H | 47 47 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CC(C)CC(=O)O
ir: 1 1 1 1 0 1 1 2 3 4 3 2 5 7 10 7 8 5 21 12 27 91 35 7 4 6 1 1 1 0 1 1 0 0 0 1 1 0 1 3 2 6 12 11 3 3 2 1 1 2 1 1 1 1 1 0 0 1 1 1 1 2 4 3 1 1 1 1 2 2 1 1 1 3 8 7 11 12 25 53 7 10 7 4 3 2 4 3 1 1 2 4 2 2 2 3 1 1 1 1 2 1 3 2 2 2 2 2 8 4 4 2 1 1 1 0 1 1 1 3 2 2 1 2 1 1 2 1 0 1 1 3 2 1 2 1 1 3 4 1 1 2 2 6 10 3 2 2 4 4 1 1 0 0 1 1 0 1 1 1 1 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 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 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 3 1 0 1 1 1 2 2 2 4 4 5 31 10 2 1 2 1 0 2 4 25 100 53 11 5 3 1 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 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: 73 72 td 1H J 18 75 | 72 71 ddt 1H J 9 17 80 | 70 70 ddd 1H J 9 75 83 | 69 68 dd 1H J 10 75 | 38 38 s 2H | 30 29 ddd 1H J 9 76 150 | 27 26 ddd 1H J 9 77 150 | 26 25 dd 1H J 84 162 | 24 23 dd 1H J 84 161 | 23 22 dtd 1H J 73 83 147 | 11 10 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@@H](CN1CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C
ir: 4 5 4 2 1 3 3 3 2 3 6 3 2 7 12 5 4 7 10 17 22 50 39 12 9 8 3 10 51 39 9 7 7 0 2 3 3 9 6 3 2 1 3 4 3 1 1 3 2 0 1 3 2 0 2 3 2 5 8 7 2 2 2 3 2 1 2 3 1 0 2 3 3 0 4 5 6 21 40 14 11 12 4 3 5 9 7 6 6 2 2 2 1 3 5 3 1 3 5 5 4 6 5 9 18 11 13 5 4 7 6 5 5 6 7 3 3 11 11 7 4 4 3 3 6 4 7 3 4 6 6 10 9 13 4 3 1 2 3 2 2 3 7 13 6 100 13 9 6 48 46 3 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 2 2 4 2 3 3 3 2 3 3 11 16 6 3 2 2 1 1 2 1 0 3 6 48 72 9 4 5 2 1 1 2 2 1 1 3 4 5 12 33 7 11 3 2 1 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; 1HNMR: 44 44 d 1H J 77 | 40 39 qt 1H J 45 73 | 37 37 ddt 1H J 17 36 53 | 30 29 m 1H | 29 28 m 2H | 26 26 dd 1H J 46 121 | 21 20 m 1H | 19 17 m 3H | 17 16 dtt 1H J 66 78 134 | 15 14 ddd 1H J 72 80 137 | 14 14 s 7H | 13 12 ddd 1H J 72 80 137 | 9 9 dd 6H J 68 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1ccnc(S)c1N)c1cc2cccc(C(F)(F)F)c2c(=O)n1-c1ccccc1
ir: 12 13 4 11 12 15 8 15 10 12 16 4 6 8 17 20 5 14 18 35 21 18 56 14 6 12 3 5 4 5 8 6 5 6 25 23 13 11 4 6 20 15 10 9 4 10 6 5 7 4 4 5 4 14 38 11 4 7 4 1 3 2 2 0 2 2 1 1 1 3 4 10 24 13 2 7 7 4 4 1 3 5 2 6 4 18 18 6 2 2 1 2 6 19 6 6 2 3 10 4 22 12 20 5 12 9 8 23 7 7 2 4 4 2 2 2 5 11 4 10 13 9 8 9 8 7 2 22 4 3 3 11 7 10 9 21 9 7 8 15 14 9 7 40 9 3 16 16 4 14 21 10 5 1 8 14 35 22 16 7 22 9 5 6 2 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 3 71 3 2 1 2 1 1 2 2 2 2 1 1 2 1 1 1 3 3 2 2 2 2 1 2 2 2 3 4 3 4 8 5 14 25 50 46 27 8 4 5 4 2 2 2 3 3 1 3 2 2 6 7 6 99 6 8 14 11 17 20 15 14 14 24 23 100 17 4 2 3 2 1 2 2 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 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; 1HNMR: 79 78 dp 1H J 14 102 | 76 76 dd 1H J 13 77 | 76 75 m 2H | 74 73 m 4H | 72 72 d 1H J 40 | 67 66 d 1H J 82 | 64 64 d 1H J 42 | 63 63 d 1H J 9 | 57 57 s 1H | 49 49 s 2H | 40 40 dqd 1H J 9 60 81 | 13 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(O)CCCO
ir: 8 12 24 19 18 7 16 14 12 18 44 30 16 22 14 23 34 41 35 48 13 32 15 14 24 19 13 9 7 2 15 14 6 9 13 7 4 2 4 8 18 9 20 12 8 10 6 4 3 2 3 3 2 5 2 3 3 2 2 5 7 5 7 3 8 3 3 5 23 2 7 4 4 3 5 10 17 12 17 11 11 8 9 6 7 7 4 9 32 72 77 74 47 10 18 96 68 10 21 11 7 5 9 9 2 3 7 5 4 5 14 5 3 5 8 5 2 15 33 30 11 12 13 27 21 7 18 23 7 20 12 10 3 5 11 27 3 6 6 11 3 8 11 12 3 5 6 3 3 2 15 89 8 3 3 1 1 3 3 2 2 3 2 1 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 1 2 3 2 0 1 3 2 1 3 3 1 1 3 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 2 1 3 3 2 3 2 3 2 3 3 4 5 3 8 5 2 3 5 5 3 3 5 6 5 5 11 22 7 21 33 15 8 11 32 53 29 27 23 100 12 3 3 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 2 2 2 1 1 2 2 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 73 73 m 2H | 73 72 m 3H | 40 38 m 2H | 37 35 m 3H | 31 31 ddt 1H J 9 82 130 | 31 30 m 1H | 29 28 m 4H | 18 16 m 2H | 16 14 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(N2CCN(CCCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)cc1Cl
ir: 1 2 2 1 1 2 2 1 1 4 4 1 0 2 3 2 0 2 2 1 2 2 3 1 1 2 2 1 1 4 6 3 5 7 14 2 1 2 5 0 2 19 14 9 2 6 2 1 1 2 1 1 4 10 15 5 4 2 1 1 1 2 5 4 4 7 2 14 18 14 1 2 7 9 5 3 3 7 4 7 14 7 2 16 14 3 2 2 3 2 1 1 2 2 1 2 4 2 4 6 8 4 2 3 4 2 0 1 2 1 0 2 2 1 1 2 3 2 0 1 7 2 1 2 3 2 1 2 3 3 7 3 4 3 3 8 6 4 1 1 9 6 1 7 12 11 6 3 7 4 1 5 13 6 4 7 3 0 1 2 2 2 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 2 1 2 2 1 2 2 3 2 9 12 17 100 40 13 5 6 3 2 1 1 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 76 75 m 2H | 74 74 m 4H | 73 73 d 1H J 86 | 72 71 m 2H | 68 67 m 3H | 33 32 m 4H | 28 28 td 2H J 9 76 | 28 27 m 4H | 27 26 t 2H J 67 | 19 18 tt 2H J 66 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(=O)O)cc(Cl)c2c1C(=O)C(C)(C)CS2
ir: 1 2 3 2 1 2 2 3 2 8 11 5 2 6 14 17 6 9 6 19 40 46 29 5 9 7 7 8 3 3 3 3 2 2 2 2 2 2 2 2 2 4 4 6 22 7 4 2 3 3 2 2 2 2 2 1 2 2 2 5 6 3 2 8 8 4 11 12 12 5 3 3 4 5 9 11 11 55 47 19 8 6 5 4 3 2 3 2 2 2 7 8 5 3 2 3 4 2 3 3 2 3 3 2 1 2 2 2 2 9 11 4 3 3 3 2 2 3 4 5 5 5 8 15 10 4 3 2 3 3 6 4 12 5 3 3 2 2 3 8 4 3 5 10 11 4 3 3 4 11 8 1 1 18 100 10 5 0 2 4 3 1 1 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 1 2 2 2 2 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 2 2 2 2 3 2 2 2 2 3 5 11 3 8 8 11 5 3 1 2 2 2 2 5 6 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 s 1H | 39 38 s 3H | 32 31 s 2H | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(C)nc1C
ir: 8 3 2 11 5 6 3 4 5 4 13 10 8 4 5 3 4 2 1 3 4 2 12 15 5 2 4 5 24 46 78 17 7 2 2 3 3 2 3 6 8 3 2 4 2 2 2 3 3 5 7 5 3 2 4 3 3 3 5 8 5 6 4 4 3 10 8 14 18 10 7 5 5 11 11 5 15 15 5 4 3 2 2 3 2 2 3 3 2 2 3 3 3 3 12 28 100 6 6 3 1 2 3 2 1 2 3 3 1 3 4 3 6 6 13 6 11 18 33 8 4 4 7 4 2 3 3 6 8 3 3 4 2 2 3 2 4 8 32 8 4 0 30 21 9 54 12 1 1 7 7 3 3 4 3 1 2 4 17 7 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 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 1 1 2 3 1 1 3 3 1 2 3 3 2 2 3 3 9 5 7 3 1 2 4 4 3 3 5 6 1 7 34 27 15 6 6 3 2 15 18 19 1 2 3 2 2 3 4 2 1 2 3 2 1 2 3 2 1 2 3 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 s 1H | 44 43 q 2H J 64 | 38 38 s 3H | 25 25 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C(=O)c2ccc(Cn3nc(OCc4ccccc4)c4ccccc43)o2)CC1
ir: 4 9 5 3 2 3 4 4 22 10 24 13 25 12 11 6 5 7 3 4 4 9 15 2 5 2 4 4 7 9 14 16 5 3 6 4 2 10 7 53 34 25 56 8 5 6 3 2 2 2 1 1 4 3 3 2 3 9 6 15 12 11 10 11 5 3 5 13 11 7 3 5 7 2 16 5 8 5 4 15 12 6 2 11 6 7 7 9 10 7 3 6 4 4 3 4 5 15 11 4 4 8 3 3 3 2 2 1 2 6 3 3 5 7 5 7 3 6 9 14 12 12 13 8 6 12 13 7 7 34 55 38 16 5 5 13 6 6 3 2 3 21 27 21 13 12 44 29 9 6 5 16 32 10 5 4 2 2 1 1 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 6 2 2 2 2 4 7 5 15 32 19 100 70 46 24 6 4 6 5 2 3 4 1 0 2 2 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dd 1H J 15 80 | 76 76 dd 1H J 15 73 | 74 73 m 5H | 73 72 m 2H | 72 71 d 1H J 49 | 70 69 dt 1H J 9 49 | 53 53 m 4H | 36 35 ddd 2H J 35 62 115 | 35 34 ddd 2H J 35 62 114 | 32 31 ddd 2H J 35 62 114 | 28 28 ddd 2H J 34 60 114 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2c(F)cccc2cc1CNc1ccc(N2CCCCC2)cc1
ir: 14 9 4 6 6 7 3 10 18 11 14 14 7 16 8 6 13 8 16 5 5 4 4 11 10 4 14 5 4 7 3 3 5 4 3 2 2 1 2 3 7 32 46 15 29 50 12 14 9 8 6 3 8 21 25 14 20 15 8 5 4 3 1 0 2 2 2 3 7 5 6 2 6 4 2 3 2 2 1 1 1 2 1 3 16 16 8 4 4 5 3 3 2 1 2 11 13 7 7 6 11 2 3 2 4 16 12 5 5 8 13 10 9 3 1 4 5 2 4 4 4 3 2 14 11 4 13 3 2 3 2 3 3 6 4 3 4 7 12 18 32 26 7 5 2 1 2 5 11 5 5 46 49 76 47 44 8 3 3 2 1 1 1 2 9 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 1 2 2 1 2 2 3 4 12 7 30 51 47 26 9 9 4 2 2 1 2 1 1 1 1 3 2 1 4 4 4 7 8 14 51 85 100 21 9 6 6 3 3 3 3 3 3 2 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 d 1H J 46 | 77 77 s 1H | 76 76 dd 1H J 13 80 | 74 73 td 1H J 52 79 | 73 72 ddd 1H J 13 79 102 | 69 68 m 2H | 66 66 m 2H | 60 59 t 1H J 51 | 45 44 dd 2H J 9 51 | 34 34 m 4H | 17 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.