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O=C1CC(Nc2ccccc2)N(c2ccccc2)c2nc(Cl)ccc21
ir: 2 5 2 4 2 21 17 4 6 3 2 4 2 11 1 8 4 3 5 9 12 3 4 4 3 8 2 4 2 4 7 3 3 7 8 4 5 10 4 12 64 30 17 13 7 5 4 3 5 3 2 0 3 3 34 4 2 2 1 1 1 2 1 1 2 3 2 3 15 29 4 1 7 2 3 2 6 4 4 11 20 7 6 4 4 2 2 2 10 2 4 1 5 2 1 3 2 1 1 1 2 2 1 6 20 8 5 4 2 1 2 2 1 2 3 2 3 2 10 3 5 7 5 3 2 2 2 5 10 3 4 3 4 3 24 17 22 20 4 5 12 35 13 6 31 43 10 3 6 3 2 4 11 11 59 11 2 5 23 32 14 100 2 3 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 3 3 3 3 10 8 22 49 12 11 3 10 3 2 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 4 8 48 47 64 23 5 5 3 6 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 1 1; 1HNMR: 79 79 d 1H J 86 | 73 73 m 2H | 71 70 m 3H | 69 69 m 3H | 68 68 tt 1H J 12 70 | 68 67 m 2H | 56 55 d 1H J 84 | 49 49 dt 1H J 64 84 | 33 32 dd 1H J 64 154 | 30 30 dd 1H J 64 156
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC(=O)C1C(=O)c1cc2cc(O)cnc2nc1C(F)(F)F
ir: 3 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 1 2 2 2 1 2 3 1 2 2 5 3 2 2 1 2 2 2 1 1 2 10 2 2 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 3 10 39 4 2 5 1 1 1 2 2 1 3 2 1 1 1 1 2 3 5 17 4 2 1 2 2 3 3 1 1 2 2 0 24 16 2 3 2 1 3 2 3 3 3 4 2 1 2 2 2 2 2 2 2 2 2 4 3 4 3 4 5 6 3 5 2 1 1 2 1 1 2 2 1 2 2 7 11 6 11 7 3 13 4 2 2 3 5 4 3 1 2 2 5 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 2 1 2 2 2 2 2 2 2 1 3 2 2 2 6 2 2 6 5 3 2 1 2 3 3 100 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 87 s 1H | 86 86 d 1H J 22 | 84 83 d 1H J 18 | 78 78 t 1H J 20 | 47 47 s 1H | 28 27 dt 2H J 76 152 | 26 25 dt 2H J 76 152 | 17 16 p 2H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C(C)C)P(OCc1ccccc1)N(C(C)C)C(C)C
ir: 2 1 1 2 1 1 1 2 4 7 4 3 1 3 6 7 13 3 16 13 5 9 4 6 3 9 4 2 3 10 10 4 2 2 1 2 2 1 9 17 100 19 5 4 1 3 2 7 1 2 6 1 5 5 2 3 3 3 2 0 1 1 1 1 3 5 9 1 8 12 2 3 2 5 7 5 12 4 5 3 3 9 15 4 9 26 16 25 14 12 7 4 3 4 7 12 23 6 10 22 6 12 7 4 2 3 5 2 6 4 2 2 2 1 1 3 5 7 6 6 14 10 6 4 2 6 1 5 11 22 58 8 38 16 3 12 3 2 1 1 1 3 26 31 3 4 6 2 1 2 6 14 13 8 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 5 2 2 2 1 1 1 2 1 3 4 13 7 38 28 25 38 67 25 16 6 3 3 6 8 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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: 74 73 m 5H | 50 49 dt 2H J 8 80 | 34 33 hept 4H J 77 | 11 11 d 24H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(Nc2ccccc2)n1
ir: 1 0 1 0 0 1 1 1 3 3 1 1 1 1 0 1 1 1 2 1 2 2 4 8 5 3 10 5 8 4 1 0 1 1 1 1 1 2 6 25 4 25 40 21 33 4 1 1 1 1 1 1 1 2 5 34 1 0 1 1 1 1 1 2 1 4 5 4 7 12 2 3 2 1 2 2 3 2 2 3 1 1 0 1 1 1 1 0 0 0 1 1 2 9 3 1 1 1 1 2 2 1 2 7 29 3 2 3 2 3 4 1 4 1 1 1 0 1 1 1 2 2 1 1 1 2 1 3 2 1 2 4 3 12 13 5 1 1 1 1 1 1 1 3 6 10 16 26 34 61 24 5 5 14 22 4 33 41 2 0 1 11 37 6 3 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 2 2 3 5 7 8 22 63 19 5 3 2 2 2 1 1 1 2 0 0 1 1 2 0 1 1 1 1 3 3 5 2 28 100 5 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 81 80 m 2H | 79 79 dd 1H J 50 88 | 78 77 m 2H | 76 75 m 2H | 75 74 ddd 1H J 14 79 90 | 73 72 m 3H | 69 68 tt 1H J 11 68 | 32 31 heptd 1H J 10 66 | 14 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(NS(C)(=O)=O)c2)cc1
ir: 1 4 3 7 8 2 9 2 3 4 5 3 1 3 4 3 2 1 3 2 2 1 5 3 2 3 4 1 2 2 2 3 5 1 4 3 5 6 5 8 7 7 3 3 2 2 3 10 9 2 15 5 4 2 3 18 35 5 5 1 2 2 1 1 2 1 7 3 6 27 7 4 1 2 2 1 0 1 1 2 1 1 1 0 1 1 3 10 25 9 11 1 1 2 1 1 1 2 4 7 5 10 6 7 7 3 2 1 1 0 1 0 0 0 1 1 1 2 2 6 3 3 2 4 0 2 4 3 2 2 1 2 2 3 3 1 1 1 5 5 1 7 1 1 1 2 1 5 13 5 2 4 13 3 2 6 4 1 0 0 1 2 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 1 2 5 6 8 10 100 39 5 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 0 1 1 2 4 17 31 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 3H | 73 72 m 4H | 71 71 tt 1H J 9 19 | 70 69 m 2H | 68 68 dd 1H J 43 121 | 51 50 t 2H J 9 | 39 38 s 2H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1S(=O)(=O)Nc1cccc2c(C(F)(F)F)ccnc12
ir: 4 2 3 1 1 2 1 12 6 9 5 4 2 6 10 9 9 5 10 3 4 4 4 2 1 1 2 1 1 1 1 1 1 3 1 2 4 5 1 1 2 9 63 7 15 7 15 9 3 3 8 7 9 24 13 2 2 7 8 7 5 3 5 12 12 2 1 0 4 1 2 2 8 8 3 3 1 6 1 1 1 2 3 3 15 15 22 3 4 2 1 0 1 2 3 9 15 2 2 15 6 4 5 2 1 1 1 1 6 15 5 35 2 3 1 5 15 10 0 2 1 2 16 5 0 1 0 0 1 1 0 0 1 1 0 2 2 4 1 1 2 7 2 2 2 1 1 3 4 47 11 2 0 0 7 2 6 25 2 2 8 15 9 1 2 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 2 3 4 20 11 5 3 2 1 0 0 1 1 0 0 0 0 0 1 1 2 7 2 1 1 0 2 2 1 5 25 53 28 100 25 6 4 2 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 s 1H | 87 87 d 1H J 35 | 81 80 dd 1H J 11 77 | 79 78 dq 1H J 21 43 | 76 76 dd 1H J 14 84 | 76 75 dd 1H J 77 88 | 75 74 dd 1H J 13 88 | 74 74 td 1H J 14 75 | 73 72 ddd 1H J 15 73 86 | 68 67 dd 1H J 14 78 | 63 62 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(C)N)cc1C
ir: 2 3 2 5 9 4 18 11 3 2 3 3 2 3 4 3 3 4 4 3 3 3 3 2 2 2 2 2 3 3 2 3 4 4 7 7 8 11 10 15 31 8 28 32 27 19 9 7 21 34 28 24 51 66 43 30 28 26 7 5 6 4 4 8 7 5 7 7 6 6 8 12 16 6 2 2 4 4 4 2 5 4 10 12 6 15 76 24 9 3 3 3 3 9 4 3 4 3 2 3 13 24 38 11 2 2 1 2 3 3 2 2 3 2 2 3 5 5 7 4 4 4 3 5 9 4 5 5 5 9 18 6 7 8 6 5 8 28 24 50 60 29 25 39 6 2 2 4 2 6 16 17 5 11 5 3 3 1 1 2 2 1 2 3 2 0 1 3 1 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 5 3 2 3 2 2 3 4 2 2 2 5 5 10 28 18 21 91 19 10 3 1 3 4 2 1 5 5 3 2 5 45 100 14 5 3 3 2 5 12 45 37 2 2 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 71 m 2H | 68 67 d 1H J 84 | 39 38 m 5H | 30 30 s 2H | 26 26 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2cncc3sc(-c4nn[nH]n4)cc23)cc1
ir: 25 19 40 38 53 23 37 35 13 13 14 20 23 9 7 20 8 7 4 12 14 3 4 6 7 4 3 11 6 3 3 11 7 6 9 35 27 6 6 7 23 4 5 6 7 5 17 16 24 54 18 17 11 10 22 58 43 13 13 12 8 1 9 7 9 2 4 5 13 13 6 7 4 6 8 6 6 19 13 10 17 36 11 8 2 2 8 15 19 5 11 11 8 16 11 9 5 5 6 9 14 10 32 52 21 16 38 4 5 4 3 13 33 4 5 6 6 6 13 7 19 21 30 4 3 5 4 8 3 4 4 3 3 3 25 7 20 23 10 8 3 6 14 48 2 5 6 6 5 17 47 18 22 35 39 43 10 10 41 9 5 7 4 9 66 12 4 0 3 6 3 0 3 7 3 0 3 6 3 0 4 5 2 1 4 5 2 1 4 5 2 1 4 5 3 2 4 5 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 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 2 1 4 4 2 2 4 5 2 2 4 4 3 2 5 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 5 3 4 7 5 3 9 11 8 10 40 49 20 6 8 7 4 2 4 5 3 2 4 5 6 2 4 6 2 22 75 10 6 5 4 5 11 20 100 75 22 87 60 15 15 4 6 4 2 3 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 4 2 3 5 2 2 3 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 91 90 d 1H J 18 | 87 87 d 1H J 17 | 77 77 s 1H | 75 75 m 2H | 68 67 m 2H | 45 44 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCOc1cc(C)c2nc(C)n(Cc3ccc(Cl)c(Cl)c3)c2c1
ir: 3 3 6 3 6 6 4 7 3 9 5 9 10 8 7 3 3 1 1 4 1 1 1 3 3 1 2 2 3 2 0 1 1 2 2 2 1 3 6 21 4 5 2 1 2 7 2 2 2 2 2 10 15 16 19 8 5 0 1 1 2 1 3 13 6 26 26 35 12 24 17 37 14 14 6 3 2 2 1 3 2 7 4 1 1 1 1 0 1 1 2 3 19 4 4 9 7 7 21 8 6 6 2 3 3 2 2 2 6 4 2 6 6 11 17 9 9 10 8 9 12 20 26 12 7 11 5 1 8 13 11 5 4 5 5 2 35 36 15 9 2 2 4 18 76 22 27 18 26 6 4 4 5 4 1 1 1 7 0 1 12 0 3 4 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 3 4 2 3 3 3 5 4 2 5 2 2 3 6 24 33 11 51 100 39 15 9 7 3 2 1 3 1 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 d 1H J 75 | 73 72 dd 1H J 10 21 | 72 71 ddt 1H J 9 20 77 | 70 69 d 1H J 22 | 69 68 d 1H J 25 | 54 54 t 2H J 9 | 42 41 q 2H J 66 | 41 40 t 2H J 64 | 25 24 m 8H | 21 20 tt 2H J 63 88 | 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.
Cc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccccc1C#N
ir: 2 2 1 1 3 3 9 4 4 7 3 1 5 2 2 2 1 1 2 5 5 2 1 3 6 3 7 3 3 3 1 2 2 6 4 4 4 16 100 56 51 11 18 9 43 11 9 2 3 5 2 3 1 4 2 2 5 3 4 4 17 25 8 3 5 7 2 4 8 10 4 7 8 4 2 8 6 2 5 7 5 4 30 22 9 12 8 9 16 9 1 11 7 4 3 9 5 5 6 6 4 5 3 2 2 4 1 9 3 4 2 5 5 5 5 7 7 3 2 2 8 5 8 15 15 26 14 17 23 10 6 5 5 3 5 16 47 14 10 54 18 7 13 6 6 5 9 14 16 12 3 1 4 11 90 27 60 5 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 3 56 4 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 2 3 3 2 4 4 5 9 22 9 22 75 61 8 13 8 4 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 84 dd 2H J 21 43 | 77 76 dtd 2H J 7 15 78 | 76 76 dd 1H J 13 64 | 74 73 m 2H | 74 73 td 1H J 24 62 | 72 72 dd 2H J 43 80 | 42 42 t 2H J 53 | 41 40 dd 1H J 8 133 | 39 38 dd 1H J 8 133 | 23 23 d 6H J 7 | 23 22 dddd 2H J 54 61 89 142 | 20 18 m 3H | 18 17 dtt 1H J 61 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1ccc(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c(C(F)(F)F)c1
ir: 1 1 2 1 1 1 2 3 2 1 1 1 1 2 3 2 1 4 2 1 1 1 2 0 0 1 3 1 1 2 2 2 1 2 1 0 0 1 1 0 1 2 2 1 1 3 2 10 14 5 7 10 7 40 23 16 10 2 3 2 1 1 2 1 4 10 5 8 4 1 2 2 2 1 1 1 1 1 1 5 1 1 2 1 1 1 2 3 2 1 1 1 7 2 3 4 3 3 12 10 3 2 0 1 4 7 0 1 2 3 6 5 4 2 1 1 1 1 1 2 2 2 0 1 2 1 1 1 1 2 2 2 2 1 2 1 1 1 3 4 2 1 1 3 8 4 2 3 2 6 13 9 13 2 5 4 20 13 100 7 2 1 2 3 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 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 6 10 30 19 9 5 4 5 3 2 1 1 2 1 1 1 1 1 1 1 1 2 2 2 3 4 4 16 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 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: 96 95 s 1H | 76 75 tt 1H J 51 77 | 75 74 dt 1H J 8 29 | 72 71 m 3H | 70 70 dq 1H J 9 20 | 67 67 dd 1H J 22 71 | 63 63 d 1H J 31 | 55 55 d 2H J 9 | 42 41 t 2H J 49 | 37 36 t 2H J 50 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC[C@@H]1CC[C@@H](c2ccc(C#N)c(F)c2F)CC1
ir: 4 4 5 3 5 2 4 4 5 4 4 3 5 9 7 13 7 3 2 3 4 2 4 3 4 3 3 4 6 5 5 35 8 6 7 4 4 4 13 14 12 5 23 11 4 4 6 5 3 3 4 5 14 28 43 100 5 7 5 6 7 0 5 5 3 2 5 4 3 3 4 5 4 2 6 5 3 4 4 4 2 2 3 4 4 4 4 5 6 2 3 3 3 4 6 4 78 4 10 4 4 7 18 11 10 12 45 13 25 30 38 17 9 16 8 6 5 10 15 20 3 9 6 8 4 6 14 12 11 20 9 4 3 6 7 6 8 4 3 8 14 27 9 3 3 4 4 2 2 3 3 5 9 5 3 2 3 4 24 3 2 5 3 1 2 5 3 1 3 4 2 0 2 4 2 1 3 5 2 0 3 8 72 7 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 3 4 3 1 3 3 3 2 3 4 3 1 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 3 3 3 4 3 8 5 6 4 16 12 13 6 7 17 8 5 12 23 60 20 23 58 41 13 5 7 5 4 3 4 3 2 3 5 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 76 75 dd 1H J 49 92 | 72 72 m 1H | 29 28 m 1H | 19 18 ddtd 2H J 41 55 81 137 | 17 16 m 2H | 15 14 m 2H | 15 14 m 2H | 14 12 m 8H | 12 11 m 1H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12
ir: 10 12 9 5 1 2 5 3 4 8 3 2 3 6 4 1 1 1 1 1 1 2 4 5 6 2 2 3 2 6 7 2 1 1 2 1 2 4 2 8 22 22 1 1 0 1 1 2 0 1 0 1 10 32 18 7 17 1 1 1 1 6 5 4 6 3 1 1 1 1 0 0 1 6 1 1 0 0 1 2 4 1 1 1 0 1 3 3 1 0 0 0 1 0 1 1 3 5 6 12 4 2 6 3 1 1 1 2 4 32 1 2 2 7 9 3 2 3 24 49 37 8 3 2 15 3 4 4 9 6 5 12 4 1 1 1 1 1 1 2 6 6 22 64 14 10 58 100 13 5 1 2 1 1 6 26 7 6 2 1 1 2 1 2 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 1 0 1 1 1 2 2 2 1 1 0 0 1 1 2 1 2 2 8 30 15 17 55 50 7 5 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 dd 1H J 21 41 | 86 86 dd 1H J 20 73 | 83 83 d 1H J 97 | 77 77 d 1H J 95 | 77 76 dd 1H J 41 72 | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCn1c([C@@H]2CCCNC2)nc2ccccc21
ir: 1 3 4 2 4 11 7 2 12 6 8 2 8 12 6 3 0 10 9 3 20 14 10 2 1 3 4 5 8 7 6 1 3 7 11 10 11 15 7 2 14 33 14 20 4 9 5 12 8 8 6 16 15 18 10 2 4 7 6 5 15 14 4 3 4 7 4 8 9 9 7 7 25 15 14 2 5 5 3 2 3 3 1 1 4 4 2 1 3 3 2 1 3 3 2 4 5 4 2 2 3 3 0 2 6 3 3 7 5 6 23 17 21 13 13 100 44 78 3 10 8 6 7 11 11 13 7 20 17 9 1 5 6 6 1 7 10 17 16 6 9 6 2 6 8 5 9 26 8 7 12 12 2 1 3 4 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 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 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 1 3 7 7 6 6 10 5 2 6 10 8 8 29 16 34 40 26 14 7 3 3 4 2 1 2 3 2 2 2 3 2 3 3 5 17 16 23 16 3 2 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3; 1HNMR: 76 76 m 1H | 75 75 m 1H | 73 72 m 2H | 42 41 m 2H | 37 36 tt 1H J 38 49 | 34 34 t 2H J 58 | 33 32 m 3H | 31 30 m 2H | 29 28 m 2H | 21 20 m 3H | 19 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CN(C2CCCC2)c2nc(Cl)ncc2NC1=O
ir: 2 2 1 3 2 2 2 3 4 4 2 1 1 1 1 1 2 6 2 7 5 5 3 3 3 1 2 3 4 1 1 3 9 29 100 41 32 14 63 13 19 17 14 5 6 4 2 3 2 3 1 1 1 2 2 1 2 2 7 4 3 3 1 1 1 1 1 2 2 2 2 1 2 3 2 3 2 3 3 3 1 1 1 1 1 2 3 3 2 2 2 2 2 3 6 4 6 4 2 8 11 8 5 4 3 3 5 3 5 5 3 4 2 10 17 8 3 4 7 3 4 4 4 3 4 4 3 15 56 9 4 2 4 9 12 18 16 7 5 3 5 16 23 13 2 2 4 2 35 88 82 47 34 3 3 1 1 2 1 0 3 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 1 1 1 1 1 1 2 5 2 3 4 2 2 3 3 7 1 3 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 8 16 13 16 22 19 11 3 3 2 1 2 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 89 88 s 1H | 84 84 s 1H | 43 42 dd 1H J 68 137 | 42 41 p 1H J 50 | 40 39 dd 1H J 69 138 | 29 28 m 1H | 22 21 m 2H | 20 19 m 2H | 18 16 m 5H | 15 14 dqd 1H J 60 73 133 | 10 9 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(N2Cc3ccccc3P2(=O)C(C)C)c1
ir: 4 7 6 4 3 8 5 8 3 2 6 2 11 5 5 11 9 2 3 2 1 7 2 1 1 2 2 2 2 2 21 7 5 7 12 3 1 2 34 1 2 35 9 0 2 6 7 9 2 3 13 5 2 3 2 1 37 4 2 0 2 3 4 5 4 3 13 6 6 8 9 6 16 7 6 9 2 5 4 4 12 6 2 1 2 10 15 3 17 12 7 5 3 6 13 100 7 3 1 4 5 2 1 2 3 3 5 30 5 4 2 3 8 6 1 3 4 7 14 3 3 3 2 2 3 2 2 3 3 4 4 3 2 1 1 2 6 30 6 14 5 5 5 3 2 2 1 2 9 3 1 2 2 4 2 4 22 3 3 5 2 1 4 5 3 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 2 1 3 2 3 5 5 4 1 6 11 26 21 52 11 5 7 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 ddd 1H J 14 77 132 | 74 73 m 2H | 73 73 ddd 1H J 14 69 81 | 73 72 dd 1H J 68 79 | 70 69 ddd 1H J 11 21 68 | 69 69 t 1H J 22 | 68 68 dddd 1H J 7 14 21 79 | 51 51 d 2H J 9 | 24 22 m 2H | 23 23 s 2H | 13 12 d 6H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)c1ccc(Cl)cc1F
ir: 9 4 4 4 6 3 4 9 14 6 6 8 19 11 4 9 7 8 25 8 22 22 27 14 10 11 9 10 11 7 12 18 9 11 12 16 24 42 21 31 17 10 14 18 15 8 31 36 16 3 8 7 12 29 27 24 23 6 5 4 3 1 3 4 5 6 35 36 38 6 8 4 2 1 3 4 2 2 4 5 2 2 4 4 3 7 7 16 28 32 4 4 2 2 4 3 3 5 5 11 15 10 15 7 3 3 5 4 5 11 17 12 0 4 6 6 12 10 25 18 12 21 21 17 60 48 23 9 9 3 6 8 11 14 14 11 18 10 13 15 56 28 10 5 5 12 20 30 8 17 17 72 20 39 5 11 6 5 4 4 37 40 4 2 2 4 3 2 3 3 2 1 2 3 2 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 4 4 4 7 11 12 4 5 5 3 4 8 28 15 17 86 69 100 20 10 6 5 4 4 5 4 1 3 4 2 1 3 4 2 1 3 4 2 2 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 dd 1H J 50 84 | 74 73 dd 1H J 22 121 | 73 73 dd 1H J 21 85 | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccnc1Oc1cccc(CCl)c1
ir: 0 1 2 2 1 3 6 2 2 1 1 1 1 0 1 1 0 1 1 0 1 2 1 0 2 7 3 3 1 3 23 3 2 6 8 9 8 14 10 16 38 26 6 19 5 5 4 2 22 13 2 1 0 0 0 0 1 1 1 2 2 11 3 2 2 3 3 41 11 2 2 1 1 1 1 0 1 5 2 3 4 2 1 4 32 8 4 7 21 5 1 1 0 0 1 9 1 2 2 1 0 1 1 2 0 1 0 1 2 2 5 3 1 1 1 1 1 0 1 1 1 1 1 1 1 3 6 23 4 2 5 25 10 1 1 1 2 2 13 5 26 4 3 1 4 6 80 5 3 1 1 3 16 4 10 19 23 0 1 1 3 3 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 1 2 5 4 7 13 100 36 7 5 2 2 3 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 1H J 21 41 | 75 74 ddq 1H J 8 23 77 | 73 72 t 1H J 77 | 72 71 m 2H | 70 69 m 2H | 46 46 t 2H J 8 | 22 22 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=Nc1c(C(=O)O)cccc1C(F)(F)F
ir: 15 5 6 5 16 11 8 8 2 3 3 3 1 4 20 31 6 5 3 2 8 6 2 3 2 2 2 2 2 2 1 2 2 2 3 2 2 1 2 2 2 1 2 2 2 3 26 2 13 3 4 4 3 14 6 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 8 7 3 2 2 4 6 8 12 6 100 14 3 2 4 3 1 3 4 2 1 1 4 3 0 1 5 7 25 4 3 5 3 3 1 2 2 2 1 2 2 4 2 2 2 3 4 10 6 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 3 14 8 1 2 18 0 9 7 1 2 3 2 1 1 3 7 2 2 2 2 1 2 5 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 1 6 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 3 13 4 1 2 2 2 2 3 6 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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; 1HNMR: 79 78 dp 1H J 14 103 | 78 78 dd 1H J 12 72 | 73 72 dd 1H J 72 102
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(SC2CCOC2)cc1
ir: 8 12 38 23 26 13 6 4 4 8 11 19 33 31 59 39 18 21 9 6 7 3 3 2 3 2 1 3 3 1 1 4 9 12 2 5 4 1 2 3 3 1 2 5 3 0 3 8 19 16 23 20 8 27 38 86 52 29 23 3 4 6 3 4 5 4 4 3 7 21 9 2 3 5 30 27 7 7 3 2 2 2 2 2 2 7 6 17 7 3 7 3 2 2 4 4 4 3 13 33 9 27 31 16 2 6 4 4 3 7 12 10 3 5 6 71 44 20 21 12 2 11 14 22 100 69 15 11 5 2 2 1 2 1 1 2 1 2 3 4 7 15 32 83 64 12 8 29 45 22 33 16 10 4 3 3 2 2 1 0 1 4 2 1 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 0 1 1 1 1 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 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 2 1 2 1 1 1 2 2 2 2 3 2 2 1 5 6 5 6 8 9 21 27 15 32 31 35 71 76 46 28 14 14 6 9 9 6 4 3 3 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H | 75 74 m 2H | 39 38 m 5H | 37 37 ddd 1H J 21 40 108 | 35 35 m 1H | 33 32 tt 1H J 26 47 | 24 23 dtd 1H J 22 42 124 | 22 21 dtd 1H J 22 43 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(C)CCCc2ccccc2)c1
ir: 0 0 0 0 0 1 1 1 3 1 1 0 0 0 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 1 9 3 6 1 1 0 1 1 2 30 16 2 2 2 1 2 4 5 10 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 5 7 4 2 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 1 1 6 11 1 0 0 0 1 4 4 2 1 1 0 1 3 3 2 1 0 0 0 0 1 3 2 1 2 1 0 2 2 2 1 1 1 0 1 1 1 1 1 1 1 1 5 3 1 1 1 1 7 6 6 2 1 1 2 3 1 0 0 3 3 1 1 3 4 1 0 0 1 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 1 1 3 9 7 10 100 9 8 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 72 71 ddt 2H J 9 17 78 | 71 70 dq 1H J 9 76 | 69 68 dt 1H J 11 77 | 67 67 q 1H J 10 | 38 38 s 2H | 28 27 m 1H | 27 25 m 2H | 19 17 m 2H | 17 15 m 2H | 12 11 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1NC(=O)NC1=O
ir: 4 6 3 4 7 6 14 8 3 4 4 4 3 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 3 4 7 13 15 7 74 17 11 5 3 4 4 4 4 6 10 5 4 4 4 4 3 4 4 4 3 4 4 6 4 4 4 4 4 4 4 8 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 6 4 4 4 6 4 4 5 6 6 12 6 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 4 4 5 13 4 5 4 3 3 5 4 2 3 11 27 100 8 0 3 6 4 2 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 8 19 7 6 6 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 76 76 d 1H J 62 | 43 43 dq 1H J 46 62 | 13 12 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccnc(-c2ccc(F)c(F)c2)c1
ir: 10 15 3 6 11 8 14 13 8 4 2 8 11 4 3 13 21 19 5 4 5 4 4 65 56 4 2 4 4 3 15 10 5 5 15 30 9 3 4 5 4 2 5 5 6 2 8 6 3 0 2 5 3 1 8 17 7 2 3 6 10 6 5 7 13 6 33 44 8 5 5 6 4 11 10 9 3 2 4 4 2 2 4 4 2 2 4 4 6 7 4 4 2 2 4 3 2 5 11 4 4 3 4 3 2 2 4 3 2 4 4 3 4 4 0 22 36 19 22 26 19 8 16 12 36 6 10 5 4 4 4 2 1 3 5 2 15 40 8 5 6 28 8 5 13 54 20 1 4 27 25 3 3 24 10 1 2 5 3 0 31 5 3 3 7 11 4 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 3 2 1 3 3 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 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 3 4 3 1 2 4 3 1 3 5 3 2 3 7 13 20 45 100 87 10 8 6 4 3 3 4 3 2 3 4 2 1 3 4 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 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 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 2 1 2 4 2 1; 1HNMR: 87 87 d 1H J 47 | 82 82 d 1H J 21 | 78 78 dd 1H J 22 48 | 78 77 ddd 1H J 23 41 98 | 76 75 ddd 1H J 21 35 122 | 73 72 td 1H J 47 99 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(C(=O)O)C(O)CCl
ir: 4 3 3 3 4 5 0 2 4 2 4 6 4 7 10 15 11 9 9 15 23 100 32 20 14 13 8 10 4 7 7 10 20 26 57 30 5 14 7 3 3 3 2 0 1 2 2 0 1 2 1 1 2 2 1 0 1 3 2 0 1 2 2 1 1 1 1 0 1 1 2 0 2 2 2 2 5 4 12 12 40 9 3 2 2 2 2 5 5 1 2 1 3 3 11 18 16 21 8 4 7 4 3 2 2 2 2 3 4 1 1 1 2 2 2 2 6 7 12 10 11 12 8 5 3 4 3 3 3 7 2 4 2 1 0 1 1 1 1 2 2 2 3 6 11 21 6 2 4 35 8 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 2 2 4 4 3 4 8 3 2 2 4 2 25 46 64 11 2 2 14 27 6 2 2 1 1 1 1 1 1 1 1 2 2 6 20 22 8 3 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 64 63 d 1H J 82 | 47 47 d 1H J 44 | 45 44 dd 1H J 71 81 | 42 41 ddt 1H J 23 44 68 | 38 37 dd 1H J 22 125 | 35 35 dd 1H J 22 125 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(c2ncnc3ccccc23)CC1
ir: 3 7 5 2 2 3 3 9 6 8 10 9 14 5 8 6 3 3 3 3 4 4 3 2 2 2 2 4 56 13 3 2 2 2 2 2 2 3 2 1 23 18 4 24 100 7 6 6 16 37 6 3 2 3 3 1 10 5 6 7 12 4 12 16 4 3 4 13 6 13 5 2 5 4 3 7 3 9 4 2 11 4 2 2 10 3 4 12 9 11 15 7 5 6 8 11 7 16 14 7 14 3 3 3 3 3 7 21 8 10 1 18 17 9 12 4 5 5 4 5 4 2 5 10 3 3 3 5 4 3 6 8 12 21 23 3 6 4 3 3 4 14 57 10 25 6 2 3 31 12 8 1 2 3 4 16 14 53 9 7 2 0 2 3 12 4 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 5 4 3 2 4 2 4 5 14 17 4 14 77 20 10 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 81 81 dd 1H J 15 97 | 80 80 dd 1H J 14 83 | 78 77 ddd 1H J 13 69 81 | 75 75 ddd 1H J 13 69 99 | 42 41 q 2H J 63 | 37 36 ddd 2H J 61 88 137 | 35 34 ddd 2H J 61 88 137 | 28 27 p 1H J 61 | 24 23 ddt 2H J 61 90 124 | 21 20 ddt 2H J 61 90 125 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=Cc1ccc(Br)cc1)CO
ir: 1 1 0 1 1 1 0 1 1 1 1 1 0 2 1 0 1 1 1 4 0 1 1 1 0 1 0 0 1 0 1 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 3 6 40 3 3 2 3 2 2 1 3 1 1 0 0 2 2 1 1 1 1 1 0 1 1 1 1 2 2 2 2 41 4 26 10 4 18 23 9 2 2 1 8 0 1 3 1 1 1 1 1 0 0 0 0 0 0 0 1 1 1 0 1 1 2 1 1 0 1 3 4 1 1 0 1 1 0 0 0 1 4 0 0 0 0 0 0 1 0 0 1 17 2 1 0 1 0 0 5 1 1 4 2 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 5 6 12 16 46 13 6 5 7 4 5 11 100 29 7 2 1 2 2 1 1 0 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 73 72 m 2H | 66 65 h 1H J 14 | 42 42 dd 2H J 13 60 | 26 25 m 1H | 18 18 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ncnc(C(F)(F)F)c1Br
ir: 1 1 1 1 0 1 1 1 0 1 1 1 5 3 1 1 1 3 5 1 2 4 2 0 0 1 1 1 0 1 1 0 1 1 1 0 1 3 7 100 1 19 18 6 2 4 1 1 2 15 6 2 1 1 1 0 1 1 1 0 1 1 1 2 1 1 1 0 1 1 1 1 3 2 5 3 4 2 1 1 1 1 3 1 1 1 1 0 1 1 1 0 1 1 5 5 26 2 33 1 2 3 39 3 1 1 0 1 1 1 1 1 2 3 2 1 1 2 2 3 5 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 5 30 1 1 0 0 1 1 1 1 48 6 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 3 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H | 44 43 q 2H J 67 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CC(OCCOCC2COCCO2)CCN1
ir: 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 1 0 1 1 2 2 10 25 1 1 3 3 4 2 0 1 1 6 4 2 1 2 1 2 5 5 4 2 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 2 4 3 2 2 1 1 1 3 4 2 1 1 0 1 1 1 0 2 2 6 5 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 0 0 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 8 8 100 21 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 43 43 p 1H J 39 | 39 37 m 12H | 37 36 dd 1H J 42 115 | 36 35 dd 1H J 45 118 | 31 30 dddd 2H J 31 39 59 130 | 29 28 m 2H | 19 18 dddd 2H J 32 49 59 139 | 17 16 dddd 2H J 32 49 59 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCC(Oc1ccccc1)c1ccccc1
ir: 1 1 0 0 1 0 0 1 2 1 0 2 1 1 1 1 1 0 0 0 0 1 3 0 0 0 1 1 2 3 3 15 3 1 2 4 1 1 4 18 14 21 14 5 1 2 1 1 1 1 0 0 1 3 1 0 0 0 0 0 1 3 1 1 1 1 3 1 8 5 1 6 2 1 3 1 1 2 5 6 1 1 1 1 0 0 1 1 0 2 9 1 1 1 0 1 0 3 1 1 0 1 1 1 1 1 3 2 2 1 2 1 0 1 1 1 2 2 2 2 2 1 2 2 2 2 1 1 1 1 1 3 2 2 3 11 6 2 0 2 2 2 4 42 100 7 11 4 1 1 2 6 14 2 1 0 0 1 0 9 2 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 1 0 1 1 1 2 2 2 1 2 2 2 2 6 4 17 11 11 33 22 13 10 8 3 1 1 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 7H | 70 70 tt 1H J 15 75 | 70 69 m 2H | 55 54 m 1H | 38 37 dt 1H J 37 112 | 36 36 dt 1H J 37 112 | 25 25 ddt 1H J 37 59 134 | 23 22 ddt 1H J 38 60 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)NC(=O)c1c[nH]nc1-c1nc2ccccc2s1
ir: 1 4 12 3 6 5 2 3 4 6 6 4 4 5 9 9 7 2 5 4 6 17 8 25 5 9 4 5 5 5 3 5 1 4 5 6 10 8 12 31 10 6 4 20 2 3 1 1 3 4 3 2 3 3 4 11 11 2 3 0 3 2 3 17 2 3 3 25 5 27 3 1 2 2 3 3 3 8 1 21 13 9 15 6 9 5 4 3 1 2 4 2 1 12 12 15 12 24 17 9 11 10 4 2 5 4 2 2 4 3 5 4 4 24 38 9 19 10 5 2 3 3 1 2 9 23 3 2 2 3 8 3 1 1 2 1 8 3 2 21 5 3 13 5 3 9 45 5 14 5 10 42 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 1 2 2 1 1 2 2 1 2 4 3 5 37 5 4 23 7 18 22 100 30 17 7 5 12 68 49 27 16 4 3 1 1 1 1 1 2 2 4 12 8 2 2 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 98 98 d 1H J 35 | 82 81 d 1H J 35 | 79 79 dd 1H J 15 71 | 78 78 dd 1H J 15 76 | 77 76 d 1H J 82 | 75 74 td 1H J 15 73 | 74 73 td 1H J 14 75 | 39 38 dqt 1H J 41 62 82 | 38 37 ddd 1H J 40 58 117 | 35 35 ddd 1H J 40 58 119 | 33 32 t 1H J 58 | 13 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccc(N)cc1
ir: 25 21 23 15 0 18 11 5 5 5 3 4 6 3 4 4 5 4 1 3 3 3 3 5 6 14 46 69 37 9 6 2 2 3 2 2 7 5 3 4 1 2 2 3 2 2 1 2 2 5 7 3 7 11 12 32 13 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 3 3 12 10 8 5 1 1 1 1 1 1 6 5 5 2 2 1 1 1 4 4 9 6 4 2 2 1 1 0 4 5 3 0 2 1 1 1 2 3 2 1 2 6 6 4 7 5 4 2 2 4 2 4 2 3 4 2 1 0 1 1 1 1 2 3 3 31 100 39 10 7 13 12 37 66 9 9 5 18 26 17 11 4 1 1 2 21 22 2 2 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 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 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 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 3 3 17 5 3 13 28 9 6 3 2 2 1 1 1 2 1 1 1 1 1 1 1 2 18 45 5 4 3 4 29 34 24 12 6 20 48 60 13 10 3 2 1 0 1 1 1 0 1 2 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 72 dt 2H J 9 78 | 66 66 m 2H | 58 58 t 1H J 57 | 45 44 s 2H | 43 42 dt 2H J 9 55 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCC(O)C1OC(C)(C)N(C(=O)OC(C)(C)C)C1CC1CCCCC1
ir: 4 1 2 1 2 1 1 1 2 2 3 2 1 0 3 3 2 1 3 1 1 1 1 1 0 0 1 1 0 0 0 0 1 1 1 1 1 0 0 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 1 1 1 0 1 1 3 26 3 7 5 1 1 1 1 1 0 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 1 2 2 1 3 1 2 1 2 2 1 1 1 1 1 2 8 7 6 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 34 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 0 1 1 1 1 1 1 1 1 1 4 11 2 1 2 1 1 1 2 2 4 4 100 5 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 40 39 m 3H | 32 32 d 1H J 51 | 29 29 dd 1H J 54 135 | 27 26 dd 1H J 54 135 | 21 21 s 2H | 18 17 m 2H | 16 16 s 2H | 16 15 m 1H | 15 14 m 5H | 15 15 s 4H | 15 14 s 10H | 14 13 m 2H | 12 11 ddt 2H J 59 86 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2sc(CNC34CC5CC(CC(C5)C3)C4)cc2c1
ir: 5 2 4 3 4 1 1 3 4 2 2 1 3 3 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 7 3 9 7 3 6 9 15 11 36 56 11 2 6 2 8 16 4 5 3 4 1 3 2 2 11 10 5 1 1 1 3 2 1 1 1 1 1 12 14 1 2 4 4 1 0 1 3 2 2 1 1 2 8 14 1 3 2 12 4 0 1 2 2 11 1 2 2 32 3 2 1 2 2 1 1 10 8 4 12 12 14 6 7 47 7 26 5 0 7 6 2 2 17 13 16 9 9 3 3 2 3 8 28 58 12 1 17 5 0 0 1 1 3 6 1 1 1 3 9 1 1 1 0 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 4 3 4 6 5 5 3 1 6 9 23 9 15 38 26 10 7 8 2 3 2 3 4 2 1 1 1 1 3 0 3 35 100 68 15 3 4 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 75 74 td 1H J 15 73 | 73 73 m 1H | 72 71 ddd 1H J 11 65 75 | 41 41 dd 2H J 9 38 | 33 33 t 1H J 37 | 21 20 hept 3H J 53 | 18 17 d 6H J 50 | 18 17 dt 3H J 54 130 | 16 15 dt 3H J 54 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
ir: 2 1 2 2 11 13 3 6 9 4 4 3 3 1 3 2 1 6 3 2 3 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 3 3 1 1 1 1 4 14 11 2 2 1 3 0 1 2 0 1 5 11 3 3 1 2 3 10 3 4 2 2 3 3 0 1 1 1 1 3 3 3 14 28 16 2 1 2 2 0 0 1 1 1 1 1 2 7 1 0 1 1 2 1 3 1 2 7 2 4 3 3 1 1 1 0 1 3 2 0 0 0 0 1 0 0 1 0 0 0 0 1 3 1 0 1 1 1 4 0 0 0 0 1 1 1 0 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 4 3 1 1 20 4 1 1 1 5 1 100 6 3 1 0 0 1 1 1 0 1 1 8 36 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 ddd 2H J 25 87 101 | 68 68 m 4H | 53 52 p 1H J 62 | 46 45 ddt 2H J 49 60 126 | 39 38 m 2H | 36 35 d 2H J 55 | 30 30 ddd 2H J 49 62 130 | 29 28 dddd 2H J 7 62 88 143 | 28 27 m 4H | 22 21 dddd 2H J 48 62 90 137 | 19 18 dddd 2H J 48 62 90 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(Cl)cc1
ir: 2 3 25 10 5 6 27 25 6 7 4 4 1 3 5 8 9 3 3 3 2 2 2 1 6 22 7 8 53 59 4 7 4 3 8 19 4 8 5 2 1 1 1 2 1 1 1 2 1 0 1 3 7 31 45 21 6 6 7 3 2 4 2 1 7 17 65 5 25 10 3 2 2 3 2 1 2 2 2 3 6 4 4 35 23 26 95 8 2 3 14 23 28 3 4 2 0 1 2 4 4 16 7 4 23 32 21 6 4 35 12 4 0 1 4 2 1 3 8 27 45 17 3 8 19 6 1 2 3 1 2 1 1 1 1 1 1 2 2 3 9 2 5 4 8 17 9 15 3 2 4 6 16 13 21 25 2 1 1 2 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 2 1 2 1 1 2 3 2 2 4 4 10 36 19 22 100 92 24 20 11 5 3 2 2 4 1 1 1 2 3 1 2 1 1 1 2 2 2 2 3 5 5 48 52 8 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 81 81 d 1H J 89 | 79 78 d 1H J 20 | 77 77 dd 1H J 21 87 | 75 74 m 2H | 74 74 m 2H | 32 32 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.
CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O
ir: 5 9 14 3 2 3 2 11 20 7 6 8 12 19 22 6 10 16 19 9 47 100 15 8 5 7 10 7 30 76 78 23 27 58 14 4 5 24 8 11 6 3 35 8 1 2 2 2 1 3 1 1 1 2 2 5 5 0 4 3 3 4 2 3 2 7 5 5 15 10 3 3 2 2 2 6 9 13 23 25 11 14 5 6 7 4 3 3 6 17 2 2 2 4 4 6 8 6 18 4 3 2 14 29 3 6 8 6 2 1 2 2 2 3 2 5 10 9 4 13 34 16 23 11 11 7 2 1 2 1 1 2 5 4 6 3 3 7 5 2 2 9 52 96 26 88 14 18 15 8 14 4 2 2 1 1 1 1 1 0 1 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 1 5 8 7 21 21 4 13 22 11 8 9 4 2 2 2 5 87 62 14 3 1 0 1 1 0 0 1 3 4 10 17 36 34 35 20 5 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 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 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; 1HNMR: 74 73 m 5H | 66 66 d 1H J 86 | 51 51 s 2H | 46 45 dt 1H J 51 84 | 30 29 dd 1H J 51 137 | 28 27 dd 1H J 51 137 | 21 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(C2CC2)c2nc(-c3ccc(N4CCCC4=O)cc3)ccc2n1
ir: 5 10 7 8 7 8 5 9 12 3 7 5 10 4 5 13 12 4 9 10 6 9 9 20 11 2 3 3 3 1 4 4 5 5 2 2 4 6 2 3 12 3 4 8 13 33 31 19 8 7 3 4 15 11 8 18 16 8 25 100 85 8 5 7 3 4 4 2 4 2 2 12 5 7 3 7 8 1 2 3 5 4 3 2 1 1 5 4 4 1 3 3 2 5 2 4 1 2 3 3 1 1 2 2 6 4 3 2 3 2 15 15 5 3 4 6 5 9 14 12 5 8 2 3 2 9 13 3 4 7 2 2 1 2 4 2 41 5 4 7 3 8 23 79 38 74 88 58 48 36 80 36 15 31 18 15 7 1 1 4 1 1 25 0 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 3 4 3 3 4 2 6 5 6 8 9 16 25 21 12 8 6 2 2 1 1 1 1 1 2 2 3 3 2 5 73 43 8 2 1 2 3 1 2 3 3 1 18 100 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 79 | 81 80 d 1H J 79 | 79 79 m 2H | 73 73 m 2H | 61 61 s 2H | 39 38 dd 2H J 37 47 | 26 26 t 2H J 54 | 24 23 p 1H J 62 | 21 20 m 2H | 10 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1cc(O)cc(O)c1
ir: 2 2 2 2 2 4 4 1 2 2 2 3 2 5 3 2 3 2 1 2 2 4 2 2 2 2 4 4 4 3 2 1 2 1 1 2 2 1 2 3 7 12 29 0 1 7 3 1 2 3 2 1 5 10 1 1 1 2 1 2 3 6 5 5 17 14 33 24 16 10 3 3 3 2 2 2 3 45 31 5 2 4 18 38 21 7 4 4 5 15 12 4 2 3 1 1 2 2 1 1 2 2 3 2 2 2 1 1 2 2 1 1 2 1 1 2 2 2 2 2 2 2 1 2 2 2 2 2 1 2 5 4 15 57 18 11 4 1 1 2 2 1 1 2 2 1 12 7 5 100 78 8 12 3 2 2 2 1 1 4 5 2 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 2 1 1 2 3 4 2 2 2 2 1 1 2 1 1 2 2 2 2 2 2 7 14 6 2 2 2 2 1 30 34 52 3 2 2 3 13 25 24 4 2 5 4 4 28 73 12 12 11 6 2 2 3 1 2 3 3 2 1 2 1 1 2 3 3 4 2 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; 1HNMR: 89 88 t 1H J 42 | 87 87 s 2H | 70 70 d 2H J 22 | 64 63 t 1H J 22 | 46 46 d 2H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(OC2CCNCC2)cc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
ir: 1 2 2 2 4 4 3 1 1 2 3 6 5 2 3 10 5 3 2 2 2 2 5 4 5 4 7 3 12 7 7 2 6 1 1 2 1 2 1 2 2 6 3 2 3 4 4 21 5 2 9 0 2 4 21 19 4 5 5 2 1 1 1 1 2 3 3 4 8 5 2 3 5 3 5 5 3 7 2 2 1 2 2 2 2 3 2 3 1 1 2 2 2 1 2 2 1 1 3 2 2 3 4 9 1 3 8 3 1 3 3 3 15 6 14 24 5 8 2 2 1 2 3 3 2 5 4 4 3 6 4 3 2 2 1 1 1 2 2 2 5 2 2 2 4 13 10 3 7 4 23 3 4 1 7 2 6 11 20 5 3 4 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 1 1 2 2 7 5 9 14 11 6 3 2 2 1 2 1 1 1 1 2 2 1 2 2 2 1 4 37 4 2 3 3 6 100 5 9 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 83 82 m 2H | 78 78 ddd 1H J 11 22 95 | 77 77 t 1H J 19 | 76 75 d 1H J 75 | 75 74 dd 1H J 22 77 | 74 73 dd 1H J 82 95 | 71 71 t 1H J 21 | 70 69 ddd 1H J 12 22 82 | 68 68 d 1H J 40 | 45 44 m 2H | 32 31 dddd 2H J 29 39 55 134 | 30 29 dddd 2H J 29 38 57 134 | 21 20 m 2H | 19 18 dddd 2H J 29 49 57 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cccc(Cc3ccccc3)c2c1O
ir: 1 1 1 1 4 4 3 3 2 15 10 27 11 5 5 2 1 2 2 2 0 1 1 1 1 1 2 3 4 10 5 3 5 3 4 3 2 2 5 18 5 3 2 4 5 4 1 1 1 0 1 1 8 4 4 2 3 8 2 1 1 0 1 2 1 1 3 3 6 5 2 3 1 1 1 1 2 7 5 5 4 10 10 5 2 2 1 1 2 15 1 1 1 8 8 3 1 2 6 1 0 1 0 0 0 0 1 3 1 1 2 1 0 0 0 0 0 0 1 0 0 0 1 1 2 0 0 0 0 0 1 1 0 2 2 8 3 1 5 1 1 1 1 3 6 3 3 0 1 1 1 2 4 1 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 3 1 3 6 10 30 6 3 3 1 1 2 29 100 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 1H | 76 75 d 1H J 85 | 74 74 t 1H J 77 | 74 74 s 1H | 73 72 m 2H | 72 72 m 1H | 71 70 ddq 3H J 10 77 174 | 70 69 d 1H J 86 | 43 42 q 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Oc2ccc3c(c2)OCO3)ccc1C=O
ir: 3 3 3 2 2 2 4 3 2 2 2 4 3 4 4 3 2 2 3 3 2 1 1 2 3 3 3 4 2 2 2 2 4 6 7 12 14 9 14 9 3 3 2 2 4 7 3 2 2 3 3 2 53 100 80 29 6 4 4 3 4 4 6 6 12 16 10 24 79 58 7 3 2 2 2 2 2 2 3 2 2 2 2 3 2 9 10 8 8 5 5 4 2 1 2 2 2 2 5 7 5 3 3 2 1 2 2 4 5 8 5 3 2 2 2 2 4 4 5 7 22 10 6 3 1 3 5 3 1 2 3 1 1 3 7 10 54 29 6 4 5 10 57 9 4 4 3 2 4 0 26 20 11 12 11 6 4 4 4 12 24 25 3 2 1 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 2 3 3 2 2 2 2 2 1 2 3 2 3 3 9 8 4 34 33 31 21 4 3 4 3 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 99 s 1H | 79 78 d 1H J 82 | 70 70 dd 1H J 24 88 | 69 69 d 1H J 88 | 69 69 d 1H J 23 | 67 67 d 1H J 81 | 60 59 s 2H | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(=O)c1ccc(N2C(=O)NC(=O)C2CCCc2ccc(C(=O)OC(C)C)s2)cc1
ir: 0 1 2 1 1 3 4 2 2 3 3 1 2 2 1 1 1 3 5 3 10 4 1 1 1 1 1 2 1 2 1 2 1 2 4 2 1 3 2 8 6 8 9 21 65 18 13 4 6 0 3 2 3 3 3 2 19 3 3 1 5 6 2 1 3 3 1 1 1 1 3 0 3 2 1 2 1 1 1 1 1 1 3 3 1 1 1 1 2 4 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 3 2 2 3 4 6 6 8 9 4 7 4 10 8 4 6 4 10 5 2 2 1 8 7 3 1 7 3 1 0 2 1 1 1 1 6 8 2 3 5 2 1 3 2 7 9 3 3 1 2 3 1 0 1 2 3 100 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 1 1 1 2 1 3 8 4 3 20 9 6 12 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 23 17 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 79 78 m 2H | 76 75 d 1H J 68 | 74 74 m 2H | 69 68 dt 1H J 8 68 | 52 51 hept 1H J 58 | 47 47 t 1H J 57 | 29 29 t 2H J 79 | 29 28 dtd 2H J 8 68 137 | 20 18 m 2H | 18 16 m 4H | 14 13 m 4H | 13 13 d 6H J 57 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C1=C(SCC3(CCN(C[C@@H](O)Cc4ccccc4)CC3)O1)C(=O)C2=O
ir: 3 8 7 3 2 9 6 4 2 4 4 5 4 5 3 2 1 5 12 3 10 15 12 6 5 8 5 5 3 7 10 3 2 3 3 5 2 5 5 20 13 11 4 8 4 5 3 1 2 5 3 1 5 9 8 8 6 3 3 3 3 5 3 1 2 8 6 18 9 3 5 3 3 5 7 2 3 4 9 3 3 30 7 5 3 7 27 52 34 23 2 5 8 5 2 2 5 5 6 2 5 3 1 2 4 2 1 4 11 3 1 2 4 13 4 4 4 6 9 16 7 5 5 4 5 4 2 4 7 3 4 3 10 4 2 42 7 3 2 5 3 2 4 12 6 3 2 3 3 2 2 8 37 5 2 4 7 6 2 3 2 0 1 4 5 2 3 3 2 0 1 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 2 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 4 5 4 6 7 3 1 2 3 3 4 14 11 14 100 17 10 4 2 4 4 5 65 7 5 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 2 2 0 2 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2; 1HNMR: 81 81 d 1H J 83 | 73 73 d 1H J 27 | 73 72 m 5H | 72 71 dd 1H J 27 84 | 41 40 tdt 1H J 55 62 77 | 38 38 s 2H | 33 32 s 2H | 31 31 d 1H J 62 | 30 29 m 3H | 28 28 dd 1H J 55 119 | 28 26 m 3H | 26 26 dd 1H J 53 119 | 22 21 ddd 2H J 38 66 132 | 19 19 ddd 2H J 37 64 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)c1cccc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1
ir: 16 13 4 7 11 5 5 5 7 6 7 4 6 3 4 3 5 4 6 4 6 3 3 7 11 12 12 37 24 51 31 15 23 6 6 10 15 8 4 5 3 2 2 2 10 6 10 27 33 4 6 3 3 4 9 11 3 6 6 3 6 36 23 16 24 15 25 12 22 51 18 14 16 7 2 7 18 2 14 12 18 15 8 7 2 3 4 4 1 2 2 8 4 3 3 4 3 17 9 32 5 4 1 4 4 3 8 5 3 6 7 2 5 9 5 7 3 6 7 14 13 12 5 10 14 22 33 34 22 30 38 18 35 14 20 26 8 11 3 6 7 38 9 14 18 63 24 18 12 100 19 17 5 4 3 5 23 3 3 1 2 2 5 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 4 3 2 2 2 3 3 4 6 4 2 3 2 6 21 54 17 4 54 27 4 2 3 1 2 2 2 4 5 9 7 30 24 16 45 39 20 19 4 17 72 68 90 57 36 11 9 1 1 3 2 0 0 2 2 0 1 2 1 0 1 2 2 0 2 3 2 0 1 2 1 1 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 dd 1H J 72 80 | 71 70 ddt 1H J 9 21 81 | 70 70 ddd 1H J 12 21 71 | 68 67 td 1H J 7 21 | 51 50 t 1H J 65 | 42 41 qd 1H J 16 46 | 41 40 m 1H | 40 39 ddd 1H J 38 58 99 | 39 38 m 1H | 37 36 ddd 1H J 48 65 132 | 36 36 dd 1H J 17 129 | 35 34 m 2H | 34 33 m 2H | 19 19 d 2H J 57 | 15 15 d 3H J 53 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)sc2n1
ir: 55 7 4 4 4 7 1 1 10 1 1 1 1 10 4 2 1 1 1 1 1 1 11 2 2 2 2 2 5 6 2 0 1 6 1 1 1 2 3 1 2 2 3 5 2 3 4 32 34 50 90 16 7 7 16 8 3 4 3 3 2 2 12 2 2 10 4 12 9 2 1 1 2 1 1 0 1 2 1 0 1 1 0 1 1 5 5 0 1 8 0 1 5 12 6 1 1 1 5 1 1 1 0 16 4 1 0 1 3 3 1 1 1 2 3 17 3 1 47 11 5 3 4 1 2 3 6 1 1 1 1 0 1 1 2 1 39 12 1 4 29 10 5 43 64 9 2 2 2 80 15 3 3 7 1 0 0 4 42 13 1 6 1 0 1 1 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 2 2 1 1 1 1 1 1 2 2 3 4 12 17 28 9 10 4 1 1 1 2 2 1 1 4 1 1 1 1 3 2 11 3 3 7 7 6 100 29 5 3 5 22 2 0 1 1 0 0 2 2 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 s 1H | 70 69 ddt 1H J 9 18 90 | 68 68 dt 1H J 8 17 | 68 67 m 2H | 59 59 s 2H | 48 47 dt 2H J 8 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1cnc2cc(C#Cc3cccc(F)c3)ccn2c1=O
ir: 11 3 5 5 2 4 2 2 2 2 4 7 6 10 6 3 5 10 7 7 15 4 12 7 6 4 4 3 6 12 4 4 2 2 2 2 2 2 1 2 3 4 3 6 7 4 24 26 34 16 2 2 2 3 6 18 2 2 1 2 3 4 3 4 3 9 12 32 18 5 5 6 9 3 7 18 5 6 3 5 1 3 3 2 1 3 4 3 12 6 14 21 30 15 42 13 6 3 3 2 2 5 3 3 2 2 2 2 2 2 3 6 4 2 3 2 4 3 2 2 3 2 2 3 3 6 10 4 4 2 2 2 1 1 5 12 7 3 2 8 21 2 1 2 1 2 2 4 5 23 6 12 3 5 35 21 9 3 7 8 24 2 1 1 17 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 3 3 1 3 10 8 13 100 23 31 29 37 100 12 23 24 10 3 2 3 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; 1HNMR: 88 87 d 1H J 71 | 80 79 d 1H J 9 | 74 73 m 2H | 72 72 dt 1H J 20 119 | 72 71 m 1H | 71 70 dd 1H J 13 69 | 68 68 d 1H J 13 | 47 47 qdd 1H J 9 49 62 | 41 40 d 1H J 49 | 14 13 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(Oc2cc3[nH]c(C(F)(F)F)nc3cc2Cl)c(F)c1
ir: 3 2 4 6 9 5 7 6 8 2 5 4 2 9 17 4 5 2 4 4 2 2 3 4 3 15 89 31 19 2 2 3 2 1 2 3 3 1 1 2 7 12 3 10 7 4 10 2 2 2 9 7 4 9 19 29 5 3 4 7 2 1 2 3 4 11 40 29 58 13 4 5 3 1 2 2 1 1 9 36 11 0 2 2 3 2 2 17 4 3 3 2 1 2 9 18 1 95 47 29 3 3 8 3 2 2 12 32 15 7 2 1 0 3 6 9 46 17 5 2 1 2 2 2 5 2 2 2 0 1 2 1 0 1 2 1 0 4 17 9 3 3 35 6 1 3 18 4 9 28 23 6 16 23 48 8 4 3 1 1 6 19 3 9 18 2 1 0 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 4 5 4 14 100 47 12 5 4 3 1 2 3 1 1 3 3 2 1 3 4 2 1 5 4 1 2 6 5 8 74 59 34 65 4 2 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; 1HNMR: 94 94 q 1H J 10 | 78 77 s 1H | 75 74 s 1H | 72 71 ddd 1H J 43 57 80 | 70 69 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1
ir: 2 3 4 3 4 3 3 4 2 3 4 10 4 11 14 9 9 4 4 4 4 4 12 14 12 11 5 3 4 3 3 2 2 3 3 2 3 3 3 3 4 3 3 4 5 6 5 8 25 22 6 8 6 13 6 2 3 3 3 1 4 18 17 20 13 5 11 11 4 3 3 11 4 3 3 9 5 4 2 2 3 3 3 18 3 3 3 3 3 3 2 2 7 5 2 2 3 3 3 3 4 3 2 2 5 2 2 2 3 2 2 2 5 3 2 3 7 3 1 4 3 3 2 2 3 3 3 13 39 22 3 6 5 3 2 5 15 3 2 3 3 2 30 4 3 2 3 8 12 4 3 7 6 2 5 10 7 0 100 55 5 23 17 9 4 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 4 3 2 2 3 3 3 4 15 12 10 21 14 15 17 5 3 3 3 2 2 3 3 2 3 4 25 66 3 3 5 6 7 14 31 9 2 3 9 28 50 15 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 85 85 s 1H | 78 78 s 2H | 76 76 m 3H | 75 74 d 1H J 21 | 73 73 dd 1H J 21 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOC1CCCCC1
ir: 13 18 20 14 7 9 8 7 6 4 4 11 3 6 9 5 2 3 3 2 1 1 3 1 1 1 2 2 1 1 1 1 2 1 1 2 2 1 1 2 5 1 2 2 3 2 3 2 3 8 5 8 9 2 3 2 1 1 2 1 1 2 2 3 3 1 4 4 3 4 4 2 1 2 4 5 8 14 10 4 3 10 7 18 24 30 60 99 29 24 5 9 9 14 4 3 4 3 0 0 2 1 0 0 1 1 0 1 2 2 1 8 10 12 14 5 2 3 3 1 4 4 2 3 3 4 4 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 0 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 2 3 4 2 3 2 2 1 1 3 3 20 13 7 3 2 1 2 3 2 4 7 12 62 100 7 2 6 2 1 2 2 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 39 38 p 1H J 47 | 37 37 dt 2H J 48 61 | 36 36 t 2H J 47 | 26 25 t 1H J 61 | 17 16 m 4H | 16 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCN1CCCC1
ir: 3 3 3 4 11 4 2 2 4 2 3 3 2 2 1 3 3 4 6 4 7 8 14 10 11 10 6 3 2 2 2 1 2 3 5 8 8 2 2 2 1 2 3 2 2 2 7 6 3 1 2 1 2 2 3 8 25 100 39 6 3 2 3 3 2 2 2 2 2 4 4 2 1 1 1 2 1 3 12 12 2 3 2 2 2 3 2 3 6 3 2 1 2 2 1 1 1 1 1 2 1 6 2 2 1 2 4 2 5 2 2 3 3 7 2 2 2 2 1 2 2 2 2 1 2 4 8 5 1 1 1 1 1 1 1 2 4 1 1 1 1 2 2 1 2 2 9 4 2 4 4 2 14 30 13 35 47 6 5 80 14 4 2 14 16 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 2 1 1 2 2 2 1 1 2 2 3 3 6 5 9 5 1 2 2 2 1 1 2 1 1 1 2 1 2 2 3 0 44 19 2 3 3 12 16 5 6 6 5 3 16 46 29 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 s 1H | 77 76 m 3H | 70 69 s 2H | 68 68 m 2H | 45 44 s 2H | 32 32 td 2H J 48 62 | 27 26 m 4H | 25 25 t 2H J 60 | 19 18 p 4H J 20 | 18 17 p 2H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(-n2nc(C)cc2C)c(OS(C)(=O)=O)c1
ir: 1 3 5 26 34 4 2 3 6 3 2 1 1 1 2 2 1 1 1 1 1 2 2 3 3 3 1 1 0 1 1 1 1 1 3 3 3 2 1 0 1 1 1 1 1 1 2 1 2 5 6 2 2 1 28 0 6 4 8 0 1 2 6 7 2 1 2 3 5 3 7 23 36 25 16 6 6 3 2 1 2 1 1 1 1 5 10 24 100 21 6 3 3 4 3 1 1 1 2 5 18 21 15 7 4 2 0 1 4 1 1 1 4 2 2 3 5 2 3 3 5 9 19 10 11 7 4 3 2 7 5 1 1 1 13 28 2 1 1 1 14 14 1 1 1 1 3 2 1 5 6 3 2 2 2 4 6 0 1 1 1 0 4 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 4 3 1 1 2 1 1 1 2 3 1 3 8 11 52 24 16 18 11 25 27 6 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 77 77 d 1H J 83 | 73 72 ddt 1H J 8 18 85 | 70 70 dt 1H J 8 17 | 61 61 d 1H J 9 | 32 32 s 3H | 27 26 qt 2H J 9 72 | 23 23 s 3H | 19 19 s 3H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Br)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1
ir: 2 2 2 10 7 4 4 3 5 6 7 3 1 1 5 7 2 1 4 3 1 1 2 2 2 7 6 7 2 4 5 20 6 17 4 0 2 7 7 54 10 4 6 15 8 3 7 10 69 15 3 3 3 8 4 5 3 2 1 1 1 1 1 1 5 3 3 4 7 11 3 4 3 2 2 2 4 7 5 3 2 1 1 1 1 1 1 4 13 9 3 2 3 4 2 1 3 8 5 5 3 5 3 2 2 1 1 2 3 3 2 2 2 2 1 4 8 4 2 3 10 6 6 7 9 6 3 5 8 19 20 7 7 11 27 10 14 9 8 52 7 5 6 89 59 9 6 1 1 6 100 5 7 1 1 2 3 27 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 1 2 2 2 4 4 3 5 5 2 4 20 11 7 11 42 32 12 4 2 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 3H | 72 72 ddt 2H J 8 17 78 | 53 52 m 2H | 41 41 tq 1H J 15 62 | 25 25 s 2H | 22 21 dp 1H J 65 130 | 19 18 dp 1H J 65 130 | 11 11 td 3H J 16 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCN(N2CCN(Cc3ccccc3)CC2)C1=O
ir: 11 2 1 1 1 5 5 2 1 3 1 1 1 1 1 0 1 5 2 2 1 1 2 0 0 1 1 2 2 8 18 2 7 4 1 1 3 4 7 64 11 100 39 4 4 1 2 2 4 2 2 2 1 0 1 2 2 13 9 1 2 1 1 3 3 10 9 7 5 16 5 2 2 3 13 6 2 6 3 3 28 8 1 6 24 4 6 6 2 7 3 7 1 1 2 1 3 5 12 9 16 2 3 3 6 14 2 1 1 1 3 8 5 2 1 1 2 2 4 2 6 2 1 5 4 2 3 5 16 4 2 6 8 3 34 6 3 1 1 2 3 20 37 9 1 2 1 3 1 1 1 1 3 88 2 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 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 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 1 0 0 1 1 0 0 1 1 1 3 3 5 2 2 2 1 1 1 3 23 8 3 19 28 7 2 2 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 37 36 d 2H J 8 | 36 36 t 2H J 46 | 35 35 t 2H J 54 | 35 34 m 4H | 29 28 s 2H | 27 26 m 4H | 19 18 ddt 2H J 44 53 95
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1ccc(O)cc1F
ir: 2 5 3 4 5 2 5 2 3 2 3 3 3 3 1 3 2 2 3 3 3 1 1 3 3 1 2 3 2 3 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 6 5 2 1 1 2 1 2 3 2 1 1 1 2 6 1 1 1 1 1 1 1 1 2 4 31 12 5 3 2 2 3 1 2 2 1 1 1 2 4 11 20 10 2 1 1 0 0 1 0 0 1 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 2 1 0 1 1 1 1 1 1 5 6 2 5 5 2 2 2 1 1 2 1 1 3 3 2 3 3 4 1 1 1 1 0 1 0 12 8 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 14 11 1 1 3 1 4 14 100 50 6 2 2 1 2 2 7 16 1 1 1 1 1 1 2 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 92 92 d 1H J 24 | 82 81 s 1H | 78 78 s 1H | 75 74 dd 1H J 51 85 | 66 66 m 2H | 64 64 d 1H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(CCN2C(=O)c3cc4c(cc3C2=O)OCO4)CC1
ir: 1 2 2 4 6 3 2 1 3 4 6 9 5 1 0 1 1 0 0 0 2 2 0 2 1 3 0 0 0 0 1 1 1 1 3 0 1 1 1 2 1 7 16 18 10 4 1 2 0 0 1 3 1 1 1 2 2 1 1 0 1 3 2 4 4 6 2 2 7 20 3 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 2 0 1 3 1 1 1 1 1 0 1 1 1 1 1 1 2 3 5 3 2 1 1 1 1 1 2 3 2 3 4 4 3 4 21 9 10 13 5 8 4 3 2 4 4 3 3 17 4 3 2 1 2 5 3 1 1 1 1 1 0 0 1 3 6 100 2 5 68 4 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 2 1 1 1 2 1 1 2 3 15 4 2 22 3 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 2H | 60 59 s 2H | 41 41 t 2H J 60 | 37 37 ddd 2H J 58 85 122 | 34 33 ddd 2H J 58 86 123 | 20 19 dddd 2H J 50 59 86 126 | 18 16 m 6H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C
ir: 9 22 9 16 46 9 5 9 10 14 42 18 16 12 10 16 21 8 2 6 8 4 3 6 6 2 2 5 7 2 4 7 6 2 6 49 48 34 14 11 6 7 3 13 17 9 39 40 31 4 4 8 4 1 5 8 4 3 5 10 5 5 9 8 3 1 7 7 4 4 6 7 2 2 8 7 3 2 6 6 2 2 6 6 2 2 6 6 8 9 10 23 2 7 11 22 10 8 9 6 4 5 14 13 7 6 11 6 1 5 11 8 12 33 15 12 29 20 100 62 57 29 23 8 4 7 15 11 6 14 9 28 7 21 11 9 34 39 23 30 9 14 8 4 5 11 21 6 18 20 19 83 7 10 7 0 6 15 54 0 3 7 4 0 3 7 4 0 3 6 4 0 4 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 3 5 5 2 3 5 5 2 3 7 5 3 10 11 5 4 6 9 13 6 5 12 10 7 16 41 36 8 13 51 17 7 5 6 5 3 6 7 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1; 1HNMR: 74 74 dd 1H J 13 80 | 73 72 m 1H | 72 71 m 1H | 38 37 m 5H | 35 35 m 4H | 24 24 s 3H | 23 22 d 3H J 7 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCCC(C)CCCC(C)CCCC1(C)OC1CO
ir: 11 13 12 7 9 3 2 4 2 5 7 8 6 3 3 2 2 2 2 2 1 3 3 2 2 3 3 2 2 1 1 1 2 3 2 2 5 1 4 6 2 7 2 3 3 9 3 2 2 5 3 2 1 1 2 1 1 1 1 1 5 3 4 3 2 1 1 1 2 2 1 1 3 2 3 2 5 2 1 3 11 36 23 6 9 18 23 31 50 8 4 2 3 4 2 6 9 4 4 5 2 4 4 5 1 5 9 5 13 9 3 11 5 4 3 3 3 5 12 11 11 6 3 2 3 1 2 3 3 3 2 3 3 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 1 0 1 11 3 1 1 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 2 5 2 3 4 4 8 6 4 3 5 8 5 10 18 28 16 5 5 3 2 2 1 2 4 29 100 36 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 41 40 t 1H J 47 | 39 38 ddd 1H J 33 48 117 | 36 36 ddd 1H J 33 46 117 | 30 29 tq 1H J 15 31 | 19 19 dt 1H J 70 136 | 17 16 m 1H | 16 15 m 2H | 15 14 m 1H | 14 14 m 1H | 14 12 m 6H | 13 12 m 4H | 12 11 m 3H | 12 11 m 2H | 11 11 m 1H | 11 10 m 1H | 10 9 m 2H | 9 8 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Cl)cccc1C(C)(C)CC(O)(C=Nc1cccc2[nH]ncc12)C(F)(F)F
ir: 9 21 11 4 6 3 6 8 8 46 9 10 5 32 15 20 29 8 5 4 4 3 4 2 2 2 3 3 3 13 36 54 22 14 14 8 3 2 12 13 5 3 5 4 36 10 34 33 73 15 8 15 3 1 1 2 2 1 1 8 7 4 8 25 5 4 4 2 3 4 2 4 4 10 5 15 13 3 3 7 22 26 12 13 8 20 18 10 16 24 21 16 11 27 13 14 100 19 15 8 6 4 6 7 7 14 15 33 24 23 30 19 46 8 4 13 9 6 4 4 4 4 2 4 2 1 1 1 4 3 5 5 2 2 1 6 7 36 6 15 6 24 7 7 2 3 13 4 1 1 2 5 11 5 2 1 5 2 4 29 35 14 4 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 2 2 2 2 3 2 7 10 7 5 35 58 85 15 11 9 3 2 14 99 2 0 1 1 0 0 1 2 1 1 1 1 0 1 2 3 8 34 43 7 2 5 1 1 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 75 74 m 2H | 73 72 m 5H | 71 71 m 1H | 48 47 q 1H J 31 | 38 38 s 3H | 24 23 dqd 1H J 9 24 126 | 21 20 dqd 1H J 9 22 124 | 15 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2CCOCC2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
ir: 1 1 1 1 1 1 1 1 2 2 1 4 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 2 3 3 3 4 20 12 4 2 2 1 1 1 1 1 1 1 11 4 1 1 0 1 1 1 1 1 1 1 1 1 3 4 5 2 1 2 2 2 3 3 3 3 11 2 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 3 5 3 2 2 1 2 1 2 3 1 2 1 1 2 1 2 2 2 1 2 1 1 1 6 3 2 1 2 1 0 1 3 2 1 2 2 1 4 2 2 1 1 10 100 13 4 2 1 2 1 0 0 2 1 6 2 16 5 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 4 2 4 4 9 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 s 2H | 77 76 dd 1H J 12 80 | 76 75 m 1H | 73 72 ddd 1H J 12 75 102 | 60 60 s 1H | 41 40 m 2H | 39 39 m 2H | 39 38 m 7H | 37 36 m 2H | 36 36 dd 4H J 48 55 | 23 22 m 2H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)cc(NN)n1
ir: 4 3 6 3 2 5 4 4 2 1 3 3 3 2 3 4 13 10 6 9 12 4 9 8 8 6 9 13 87 68 10 10 9 13 38 43 17 18 12 8 5 2 5 3 5 2 4 2 1 2 1 2 1 1 1 1 1 1 2 2 3 1 3 6 9 2 14 23 6 5 9 11 7 1 2 1 1 2 1 1 2 4 5 3 2 2 2 3 2 2 5 3 1 1 1 2 1 3 9 16 8 5 3 2 0 1 1 1 17 2 2 1 0 2 4 8 12 2 0 1 1 3 2 1 1 2 3 8 18 31 25 2 1 1 1 2 3 31 13 3 3 3 3 24 22 100 90 20 3 3 5 2 4 4 5 17 12 1 1 1 2 22 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 3 1 1 1 1 1 3 3 3 1 1 2 2 12 27 15 2 1 1 1 1 1 1 1 1 3 2 2 23 21 3 3 1 1 2 3 3 9 72 20 24 47 2 2 1 2 4 2 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 0 1 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 t 1H J 38 | 72 72 dd 1H J 6 22 | 71 70 d 1H J 24 | 52 52 d 2H J 37 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)Nc1cccc(OCCCCN2CCc3ccccc3C2)n1
ir: 2 1 1 4 6 6 3 2 0 3 2 1 1 5 5 4 5 3 4 1 1 0 3 2 3 4 4 4 5 3 5 2 5 5 9 8 16 19 13 15 32 29 40 21 9 8 51 53 41 23 16 2 8 4 2 2 2 3 2 2 2 3 2 3 6 6 4 3 5 5 5 7 2 1 2 2 1 3 8 31 48 18 21 9 4 6 10 4 14 18 5 2 2 11 6 7 4 2 2 5 4 4 3 1 1 2 8 14 2 4 3 9 7 5 6 6 4 5 5 3 3 3 1 2 1 2 2 7 14 4 5 9 6 4 0 5 18 26 13 2 3 14 8 15 17 16 36 8 38 100 12 6 5 4 4 41 18 15 42 11 4 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 3 2 3 3 2 2 4 2 5 8 10 11 15 41 44 36 25 4 1 3 2 2 0 1 1 0 1 1 1 1 1 0 1 1 1 4 8 13 25 40 20 7 4 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; 1HNMR: 94 94 s 1H | 76 75 m 1H | 75 74 dd 1H J 12 78 | 72 71 m 4H | 69 68 dd 1H J 12 76 | 43 42 t 2H J 69 | 39 39 s 2H | 29 28 m 2H | 28 27 dd 2H J 46 52 | 26 26 t 2H J 59 | 24 24 q 2H J 71 | 19 18 m 2H | 17 16 m 2H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(CSc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
ir: 1 8 6 8 6 12 5 6 4 2 3 2 1 1 2 1 0 2 2 2 1 1 2 2 2 6 1 2 2 4 4 1 1 2 4 1 5 4 12 5 25 19 39 9 11 6 3 3 3 1 1 1 3 3 4 8 7 2 1 2 7 7 2 2 3 2 1 1 5 3 2 1 1 4 10 6 2 4 2 1 4 1 1 7 14 15 6 7 6 6 5 4 2 3 2 6 3 1 4 24 2 2 6 10 11 3 5 6 7 6 3 1 2 1 1 1 2 1 2 3 4 3 4 3 5 2 1 2 2 2 1 1 1 1 4 4 5 2 1 1 2 3 4 5 8 24 13 10 8 2 15 8 5 2 2 4 3 1 1 2 1 1 3 6 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 6 0 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 7 12 12 100 22 7 3 2 2 3 2 11 19 1 1 1 1 1 1 0 1 1 1 1 1 2 3 13 13 6 3 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 89 89 s 1H | 84 84 dq 1H J 9 20 | 82 82 dd 1H J 21 80 | 82 81 d 1H J 80 | 73 71 m 9H | 72 71 m 1H | 45 45 s 1H | 41 40 q 2H J 8 | 34 33 d 1H J 148 | 31 30 d 1H J 150 | 15 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1cscc1OC
ir: 1 0 0 1 1 1 1 5 2 1 1 1 2 4 3 1 1 2 1 1 1 1 1 1 2 3 1 1 0 0 0 0 0 0 0 0 0 1 2 2 1 3 0 1 1 0 2 1 0 1 1 1 7 2 4 2 35 37 68 23 2 6 4 11 6 1 2 1 1 1 0 0 2 1 1 1 0 0 0 0 0 1 0 1 1 9 1 1 0 0 1 2 3 2 1 4 5 1 1 2 5 10 69 12 2 6 7 4 2 2 4 2 2 4 9 8 3 1 3 10 6 4 3 3 1 2 3 1 0 1 1 0 0 1 3 1 1 2 2 9 15 27 17 8 12 2 2 1 1 2 3 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 1 1 2 2 3 2 3 6 2 1 3 2 2 3 10 17 22 6 6 9 12 100 26 28 3 2 2 0 2 2 2 2 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 dt 1H J 9 16 | 66 66 d 1H J 16 | 38 38 s 2H | 27 27 td 2H J 9 82 | 16 15 tt 2H J 65 81 | 15 13 m 2H | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccc(Cl)cc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=NO
ir: 6 8 19 11 7 15 5 4 3 3 0 10 9 22 20 16 32 15 18 21 46 51 14 16 3 4 2 2 1 3 3 1 0 2 1 3 0 1 1 1 2 1 1 1 2 1 3 2 1 2 1 1 2 5 15 18 1 2 1 1 1 1 1 2 2 2 4 10 5 4 7 2 6 6 9 11 19 23 100 39 20 4 5 3 3 5 4 3 1 1 3 4 2 1 2 3 8 4 13 22 7 3 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 4 0 2 3 2 1 2 3 1 2 2 2 3 2 2 1 2 1 1 1 0 0 0 0 1 4 19 3 2 4 8 21 4 1 1 6 5 1 0 0 0 0 8 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 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 7 8 9 15 7 5 2 2 2 1 1 2 15 10 20 32 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 5H | 67 66 t 1H J 9 | 47 47 s 2H | 31 30 dd 1H J 9 132 | 28 28 dd 1H J 8 133 | 17 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccccc1
ir: 10 9 6 5 4 2 3 7 8 2 0 1 1 2 10 10 1 3 5 4 10 20 18 11 0 2 6 4 5 13 22 11 18 8 23 12 4 20 18 21 100 31 41 14 3 4 2 1 1 2 1 1 1 1 1 0 1 2 2 0 1 0 0 1 2 2 2 7 14 43 12 1 2 3 8 6 7 7 8 5 7 2 2 4 2 1 1 2 6 12 4 2 5 2 1 1 6 6 1 2 2 3 0 0 3 5 21 4 0 1 2 1 5 9 7 4 5 2 3 16 13 8 6 3 5 9 10 5 3 11 30 4 4 5 21 13 43 40 4 2 3 3 4 44 31 16 7 8 1 2 3 11 8 5 7 8 4 12 1 2 2 12 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 2 2 3 11 12 20 47 59 80 20 6 4 3 3 2 2 4 4 1 1 1 1 1 1 1 1 1 3 1 2 4 8 4 7 35 29 6 3 4 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 12 79 | 76 75 td 1H J 12 74 | 74 74 dd 1H J 21 75 | 73 73 m 4H | 73 72 m 4H | 73 72 s 3H | 65 65 s 1H | 43 42 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@@H]1C[C@@]2(c3ccccc3)[C@@H](NCc3ccccc3)[C@@H](F)C[C@@H]1N2Cc1ccccc1
ir: 2 3 3 2 7 2 6 4 9 11 4 11 6 5 7 8 12 5 4 18 5 5 7 5 3 3 3 3 0 3 12 11 15 5 4 4 15 5 4 5 62 15 30 4 2 4 4 2 4 2 19 6 3 4 2 2 6 16 1 1 4 1 1 1 2 1 2 5 10 18 8 2 4 4 4 2 2 4 3 3 2 1 0 2 3 1 4 3 4 9 3 2 5 6 52 42 14 4 3 2 1 2 4 4 2 3 3 4 16 2 3 4 19 25 8 5 0 4 4 5 3 3 3 6 5 2 6 5 4 6 16 13 7 9 8 36 8 2 1 1 2 1 6 39 7 15 8 2 1 1 1 7 1 4 3 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 1 1 3 3 2 1 1 3 4 2 7 19 9 100 28 20 5 15 26 11 6 3 1 2 1 0 1 1 1 1 2 5 8 30 16 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 12H | 73 72 m 1H | 72 72 m 2H | 47 46 ddt 0H J 27 40 68 | 46 45 ddt 0H J 26 40 68 | 40 40 ddt 1H J 10 53 139 | 39 38 m 3H | 37 37 d 1H J 126 | 36 35 tdt 2H J 14 31 86 | 29 28 m 1H | 23 21 m 3H | 21 21 t 1H J 53 | 21 19 m 2H | 19 18 ddd 1H J 18 60 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]cnc1-c1cccc(N)c1
ir: 13 16 19 10 2 6 13 8 15 9 7 5 3 7 7 3 1 8 7 4 2 5 7 3 2 6 6 2 3 6 7 4 5 6 7 7 29 17 6 2 4 9 10 4 6 8 11 12 34 100 11 0 4 9 5 0 5 9 5 0 6 19 12 1 6 8 10 12 82 11 7 4 8 9 6 2 6 13 4 2 6 8 7 39 22 11 4 3 45 19 2 5 12 8 2 4 15 15 27 33 37 18 3 4 7 18 10 4 9 6 12 32 73 7 2 5 22 28 16 6 11 6 2 9 10 5 2 12 10 4 2 9 11 3 2 6 12 9 8 8 7 6 6 7 6 2 3 6 5 2 3 6 9 5 7 7 6 2 20 29 16 1 4 7 6 10 4 7 4 0 4 7 4 0 4 7 4 1 5 7 3 1 4 7 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 4 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 2 6 5 2 3 7 6 1 3 10 7 4 4 10 6 3 5 8 6 3 5 11 8 10 20 19 22 92 61 41 10 5 7 7 6 4 8 30 44 47 10 7 4 3 5 19 20 3 6 6 2 2 6 6 2 1 9 72 76 7 3 4 3 4 5 4 3 3 5 4 2 4 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 3 5 6 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6; 1HNMR: 78 77 d 1H J 60 | 74 73 dd 1H J 78 89 | 72 72 ddd 1H J 12 22 88 | 69 69 t 1H J 22 | 68 67 ddd 1H J 12 21 77 | 42 42 s 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21
ir: 0 1 2 2 7 2 3 5 15 4 6 2 37 6 6 5 17 2 3 2 3 3 2 1 1 3 2 1 1 2 2 1 2 4 4 5 1 4 12 8 6 5 20 21 33 11 8 10 20 6 15 3 4 5 27 14 9 14 11 4 2 2 2 0 15 8 6 47 21 8 2 4 21 14 8 12 9 11 13 3 5 4 16 2 3 7 3 1 2 3 1 17 14 22 9 26 10 2 3 4 2 1 3 3 1 5 2 2 3 3 2 6 5 15 7 5 11 12 7 18 9 3 7 6 14 5 5 4 3 6 8 8 10 10 4 11 2 3 4 19 20 6 2 2 3 3 17 28 4 1 2 3 14 3 7 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 5 3 3 3 1 2 2 1 4 5 5 7 6 15 22 61 30 50 100 26 14 95 16 6 5 10 8 25 12 7 14 9 10 3 9 4 3 2 2 2 5 5 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 86 85 t 1H J 18 | 79 78 dt 1H J 19 35 | 78 77 d 1H J 48 | 76 76 d 1H J 121 | 74 74 m 2H | 73 73 m 2H | 55 54 m 1H | 43 41 m 2H | 35 34 d 2H J 57 | 14 13 t 3H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(F)c1)N(C1CC1)[C@@H]1CC[C@@H](CCO)CC1
ir: 2 1 1 2 2 2 1 1 2 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 2 0 1 3 3 2 1 2 1 4 7 8 4 10 7 11 6 2 1 9 5 1 1 2 2 2 2 2 2 1 1 1 2 1 1 2 1 1 2 6 7 0 1 2 1 1 1 1 1 1 1 2 2 2 3 2 2 5 9 10 9 14 5 4 2 2 3 1 1 3 2 2 2 4 4 4 2 1 1 1 0 1 3 4 3 3 3 3 2 1 3 2 1 1 5 4 1 3 3 3 5 3 2 2 1 1 2 3 5 5 6 2 3 1 2 3 5 5 13 3 3 8 3 7 5 1 1 1 3 1 1 1 3 4 2 0 1 2 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 1 1 1 2 3 4 5 4 4 6 3 5 7 4 5 7 9 14 9 10 9 13 21 16 25 9 8 17 10 14 97 100 43 14 14 17 5 5 4 8 7 5 4 7 4 5 6 5 5 3 5 3 3 2 2 4 2 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 m 2H | 76 75 m 1H | 74 73 m 1H | 38 37 tt 1H J 49 77 | 37 36 dq 1H J 57 116 | 36 35 dq 1H J 57 115 | 33 32 p 1H J 62 | 24 23 t 1H J 61 | 19 18 m 2H | 17 16 m 4H | 16 15 m 1H | 16 15 m 1H | 14 13 m 3H | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccccc1N(Cc1ccccc1)c1c(Cl)cccc1Cl
ir: 1 1 1 2 1 6 5 14 5 8 8 13 12 24 23 12 19 31 41 55 100 56 54 24 14 4 3 6 3 1 9 11 5 3 5 4 4 2 4 22 4 55 12 12 24 25 52 13 2 4 5 4 3 3 5 3 1 1 2 1 7 10 1 1 1 1 1 2 7 3 5 3 4 16 21 20 38 57 36 24 18 11 17 29 22 15 4 3 6 11 30 6 2 2 1 4 11 7 9 3 2 2 4 3 3 4 2 1 1 1 1 2 1 1 1 1 2 1 3 1 2 5 2 2 1 3 4 4 5 3 4 2 5 3 8 5 5 11 13 19 13 10 36 45 16 11 11 32 4 11 5 2 3 2 1 2 2 0 1 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 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 1 0 1 1 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 2 1 2 2 2 2 4 4 9 10 16 37 46 27 11 3 2 1 2 3 12 37 40 20 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 d 2H J 85 | 73 72 m 9H | 71 70 m 1H | 70 69 m 1H | 49 48 d 2H J 8 | 36 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(Cn2nc(/C(F)=C/c3ccc(OC(F)(F)F)cc3)cc2C)cn1
ir: 0 1 2 4 4 9 14 8 4 6 8 6 10 6 10 9 6 6 8 5 4 4 6 4 4 4 3 5 2 4 3 0 9 7 9 6 3 10 7 5 8 9 3 3 1 2 1 3 5 6 3 3 8 10 12 21 8 2 1 1 0 2 1 1 4 6 9 12 4 22 6 5 2 2 9 6 5 2 1 1 3 1 1 1 0 2 1 1 1 3 4 4 2 1 2 1 23 22 51 100 57 48 10 3 4 1 0 2 2 4 2 1 2 2 8 7 2 2 1 2 2 4 1 10 10 8 5 2 2 3 0 1 1 1 1 1 8 1 1 2 3 6 5 15 86 81 18 57 6 5 8 14 17 6 5 70 2 0 3 6 40 19 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 2 5 5 6 32 48 33 9 8 3 2 1 1 1 1 0 0 0 1 1 1 1 1 1 2 1 6 3 8 26 20 27 40 18 4 7 4 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; 1HNMR: 83 82 dt 1H J 9 20 | 74 74 m 2H | 73 73 ddt 1H J 9 19 67 | 72 72 m 2H | 70 70 s 1H | 70 69 s 0H | 67 66 d 1H J 66 | 63 62 d 1H J 40 | 55 54 q 1H J 48 | 54 53 d 2H J 9 | 29 29 d 3H J 48 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(C#N)c1nc(-c2ccccc2)cs1
ir: 8 6 1 4 8 3 1 6 7 3 1 4 7 2 0 4 5 2 0 4 6 2 1 5 5 2 3 6 7 4 7 9 7 3 13 14 7 2 6 14 36 59 26 10 12 3 5 14 7 0 3 7 4 0 3 7 3 4 5 10 6 23 35 11 4 2 11 30 16 27 21 12 7 5 14 34 23 4 9 8 4 3 5 6 5 5 9 15 10 3 8 6 8 8 18 16 10 16 9 5 3 4 6 4 2 4 30 20 3 4 6 3 0 4 8 4 0 15 28 26 10 14 9 4 5 10 9 3 2 10 14 11 10 9 7 24 20 33 34 14 6 7 8 3 3 8 30 13 5 6 5 7 8 7 4 1 2 5 4 1 3 5 3 3 4 5 4 1 3 5 3 0 3 6 3 1 3 5 3 3 6 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 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 4 4 4 13 10 5 2 5 7 5 5 6 7 9 9 26 31 37 28 62 100 39 9 8 11 7 2 4 6 3 2 5 6 3 2 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 4 2 2 4 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 3 5 3 1 3 5 3 1; 1HNMR: 78 78 m 2H | 76 75 s 1H | 75 74 m 2H | 74 74 ddt 1H J 13 66 79 | 51 51 hept 1H J 14 | 25 24 d 6H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(-n3nc(OCCCl)cc3C)ccc2c1
ir: 4 3 3 4 3 6 6 7 6 19 29 40 9 4 4 5 7 3 3 3 3 3 3 2 3 4 5 5 3 2 2 2 2 2 3 3 2 3 4 2 3 3 2 2 4 5 3 1 2 3 2 0 5 20 38 12 5 2 2 4 3 3 6 9 9 11 22 44 32 32 18 12 48 23 36 7 3 4 5 4 3 2 3 2 2 2 2 3 3 3 3 4 10 5 3 2 2 4 5 6 16 13 5 13 10 16 10 4 3 4 3 4 4 8 11 6 4 6 3 4 3 6 8 7 6 7 3 6 4 3 8 24 9 1 0 35 7 5 4 6 7 44 2 3 16 26 6 2 2 2 2 2 3 3 4 5 24 74 27 4 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 3 2 2 2 3 2 3 4 3 3 2 3 3 5 4 4 3 4 4 5 7 16 8 25 74 50 100 18 13 5 4 3 3 3 3 2 2 2 2 2 2 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 t 1H J 22 | 78 77 dt 2H J 20 75 | 77 76 dd 1H J 23 78 | 72 72 m 1H | 71 70 dd 1H J 25 89 | 59 59 s 1H | 45 44 t 2H J 27 | 39 38 t 2H J 27 | 38 38 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(C2=NCCN2)c1
ir: 5 4 3 2 3 4 6 3 2 4 1 7 6 8 9 8 11 9 5 6 2 3 5 7 6 3 5 4 2 2 1 4 4 6 2 5 2 2 5 4 22 34 3 2 2 4 3 1 2 4 2 2 3 10 7 13 28 7 3 1 1 3 2 1 4 6 2 2 2 7 1 0 2 2 1 0 1 2 1 1 2 2 6 5 17 18 10 6 9 6 15 3 2 7 1 6 20 42 26 11 5 18 4 2 5 3 2 1 5 2 2 2 3 3 2 2 3 3 3 4 4 4 8 6 11 4 5 4 1 2 1 5 17 9 7 11 4 7 11 19 5 5 6 4 2 1 10 5 13 37 12 10 6 3 3 2 3 100 3 4 2 0 13 21 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 2 1 1 1 1 1 2 1 1 9 3 5 15 20 7 5 4 15 9 5 2 4 2 2 1 1 1 1 1 1 2 2 2 6 11 23 29 10 23 26 4 2 2 2 1 1 1 0 0 0 0 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 d 1H J 16 | 86 85 d 1H J 18 | 77 76 m 2H | 73 73 m 2H | 60 59 m 1H | 46 45 m 1H | 38 37 m 1H | 37 36 ddd 1H J 61 79 134 | 36 35 m 7H | 31 30 d 1H J 51 | 22 21 m 1H | 19 18 dddd 1H J 44 60 79 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1nc(COc2ccc(Cl)cc2)cc[nH]1
ir: 1 2 0 2 2 1 1 2 4 4 4 9 5 4 3 2 2 1 2 2 2 1 1 3 2 1 2 2 3 2 10 7 8 7 3 2 3 2 5 3 3 2 2 1 25 42 46 64 20 7 10 12 27 42 37 17 13 4 3 5 2 2 2 4 3 2 5 12 15 7 3 2 2 1 4 7 9 21 14 7 9 9 9 10 10 7 5 3 1 1 2 3 5 9 6 8 2 3 3 2 0 1 2 1 1 1 3 2 1 1 2 1 0 1 2 2 1 2 5 5 2 7 12 7 5 4 3 3 2 3 5 13 12 5 3 2 1 3 3 3 6 25 40 28 22 13 11 14 3 3 5 3 11 5 14 12 41 50 35 49 7 7 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 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 0 1 2 1 0 1 2 1 1 2 2 1 1 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 2 1 1 1 2 2 1 2 2 2 2 1 5 5 7 44 41 37 47 20 20 10 5 5 3 2 2 2 2 1 1 2 2 2 3 3 3 5 5 7 64 100 24 6 5 2 1 2 2 1 1 2 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 t 1H J 67 | 73 73 m 2H | 70 69 m 2H | 63 63 dt 1H J 9 66 | 50 49 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCSCC1
ir: 3 5 3 9 5 3 15 28 20 15 12 9 42 29 2 3 3 1 3 20 6 3 4 15 3 1 1 5 3 1 2 2 24 5 3 4 8 3 14 3 3 19 21 4 3 14 6 12 2 4 10 9 13 24 47 50 10 34 18 8 3 6 10 23 16 25 24 55 17 16 5 3 6 2 2 5 13 17 6 5 9 59 13 10 100 18 61 8 46 1 3 3 5 4 3 5 24 25 20 21 20 11 35 25 19 53 14 25 7 5 16 8 6 7 6 5 9 17 19 12 9 4 8 11 23 45 6 3 8 8 7 5 9 4 3 2 1 2 2 1 2 2 3 8 36 9 18 11 11 5 5 3 9 3 3 5 2 3 1 1 5 6 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 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 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 1 2 4 4 5 2 2 3 4 3 5 22 9 7 26 67 18 10 6 1 6 2 2 1 1 2 1 1 1 1 1 1 2 2 3 6 62 9 5 3 1 1 2 2 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 d 1H J 21 | 80 79 m 3H | 76 76 dd 1H J 7 95 | 74 73 m 2H | 59 58 d 1H J 93 | 39 38 heptd 1H J 7 67 | 34 33 dt 1H J 49 93 | 28 27 ddd 2H J 30 57 141 | 26 25 ddd 2H J 30 57 141 | 21 20 dddd 2H J 29 49 57 119 | 18 17 m 2H | 13 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)CCCCC1Br
ir: 7 4 1 4 6 9 3 6 6 3 2 3 6 2 1 4 5 2 0 3 6 8 2 2 2 3 3 4 4 2 2 5 6 2 4 3 3 1 1 4 2 1 1 3 2 1 2 3 26 1 2 4 5 0 2 10 5 1 2 3 6 4 54 21 5 5 3 7 3 7 3 4 4 7 8 21 100 5 9 7 1 0 3 3 2 5 5 81 57 3 7 7 19 3 12 91 34 13 16 7 2 2 2 3 3 5 3 2 1 2 3 8 3 6 7 16 38 16 36 15 11 6 3 4 5 3 5 3 2 10 8 12 2 3 3 1 1 3 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 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 2 2 1 0 1 2 1 0 1 3 2 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 3 2 5 4 6 17 10 5 5 11 11 10 19 91 12 3 3 2 0 2 2 1 0 3 30 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 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 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; 1HNMR: 53 52 s 1H | 40 39 tq 1H J 15 64 | 21 20 m 1H | 19 15 m 8H | 13 13 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCCN1CCOCC1
ir: 4 5 2 1 3 2 9 3 13 7 4 8 5 4 5 10 8 17 6 2 1 3 5 3 5 8 12 8 4 2 2 1 3 2 5 7 6 2 2 3 4 7 6 1 3 3 2 5 4 5 2 2 5 11 11 3 2 2 3 1 8 2 2 1 2 1 2 8 6 2 2 2 1 7 2 2 2 1 2 1 1 1 10 2 2 3 2 1 0 1 3 2 3 1 2 4 5 6 2 5 4 23 6 5 5 1 2 0 3 4 1 1 1 5 5 1 1 1 2 1 1 1 1 1 4 1 1 1 1 1 1 2 3 2 5 10 3 3 1 3 3 8 8 20 25 37 21 6 4 6 5 4 10 25 24 10 6 9 7 10 2 2 1 1 1 1 2 3 24 2 1 2 1 1 0 1 1 0 0 0 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 2 3 1 3 1 2 1 1 2 4 9 3 8 13 17 5 7 4 2 2 1 2 1 1 1 1 1 1 2 3 2 12 3 3 5 9 20 20 27 41 11 6 3 100 27 2 2 2 0 0 1 1 0 1 1 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 s 1H | 81 80 m 1H | 78 77 m 3H | 75 74 ddd 1H J 14 68 85 | 74 73 m 2H | 69 68 s 2H | 37 37 m 4H | 26 25 m 6H | 23 23 t 2H J 83 | 17 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.
CSc1nccc(-n2ccc3c(NS(C)(=O)=O)cccc32)n1
ir: 2 1 2 5 7 2 1 2 3 2 2 1 1 2 4 4 3 2 2 2 2 8 16 2 1 0 1 1 1 2 5 10 4 3 7 2 3 4 6 6 6 9 5 3 3 2 1 7 3 4 26 65 6 13 9 5 2 3 7 1 1 0 0 0 4 1 0 2 7 6 3 9 12 14 4 2 1 0 1 1 0 1 1 1 0 1 2 24 24 3 2 1 1 1 0 2 4 10 5 1 0 1 2 5 17 12 4 4 1 1 2 3 2 2 4 7 15 15 9 3 2 5 5 3 3 9 3 4 1 1 1 2 10 31 30 9 9 1 1 1 2 5 18 2 1 2 4 54 2 1 1 3 1 3 5 1 1 2 9 17 38 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 1 1 0 1 9 3 1 0 1 1 0 1 1 1 1 2 3 6 5 6 9 4 17 25 8 3 9 3 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 2 11 100 35 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 38 | 78 78 d 1H J 38 | 78 77 d 1H J 60 | 75 75 s 1H | 75 74 m 2H | 74 73 dd 1H J 62 75 | 71 71 d 1H J 58 | 30 30 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(C)(C)C)ccc1C#N
ir: 6 2 1 3 5 3 2 3 4 3 2 4 7 3 1 4 5 2 1 4 4 1 1 4 5 3 15 42 19 2 2 4 4 2 5 9 6 1 3 9 11 9 6 4 4 1 2 5 7 1 2 6 4 26 31 22 7 3 4 5 4 1 9 9 7 8 21 28 33 16 8 9 4 2 4 4 2 1 4 7 2 1 3 4 2 2 4 4 1 2 4 3 1 2 4 4 2 2 5 4 1 7 6 3 1 2 4 3 1 2 4 3 1 3 12 5 1 5 5 4 6 7 6 3 1 4 5 4 4 10 6 4 2 8 7 3 2 3 4 3 4 15 7 4 2 3 4 3 6 6 23 5 3 8 5 5 5 5 3 1 3 7 9 6 4 7 3 0 3 4 2 0 2 4 2 1 3 4 2 1 3 2 18 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 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 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 3 5 4 1 2 5 3 0 3 5 3 1 8 18 12 12 19 100 50 22 8 3 4 3 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 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 2 1 2 3 2 1 2 4 2 1; 1HNMR: 75 75 d 1H J 81 | 72 71 dd 1H J 21 81 | 70 70 d 1H J 22 | 39 39 s 3H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCc1ncc(Br)cn1
ir: 19 26 15 23 31 13 10 8 8 7 7 7 8 8 8 7 7 7 8 7 6 7 7 7 8 11 17 22 26 14 10 8 8 26 27 22 22 100 49 47 33 12 12 13 10 7 9 11 9 6 7 9 9 7 10 11 9 13 15 7 8 7 8 7 8 9 15 29 21 9 9 12 8 8 67 81 16 13 7 6 11 10 8 14 19 14 0 39 76 6 20 13 5 8 12 9 5 6 10 9 3 15 38 17 8 8 10 7 6 7 8 8 19 31 12 7 5 8 17 12 9 16 29 20 9 7 7 7 7 7 10 15 9 10 8 7 7 9 12 8 8 25 84 94 19 9 9 8 9 8 10 11 9 7 7 7 18 20 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 6 9 20 11 9 8 7 7 8 8 7 7 8 7 7 15 16 28 15 13 11 9 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 90 90 s 2H | 52 52 s 2H | 32 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C1CC1)C1CCC(C)(C)c2cc(C(=O)N=[N+]=[N-])ccc21
ir: 18 22 8 11 14 22 24 13 10 9 13 21 10 13 7 7 9 7 9 8 12 7 14 14 39 16 11 10 8 5 4 8 10 10 11 14 15 8 16 25 16 13 8 9 13 8 15 12 7 5 6 11 9 6 32 25 10 3 6 10 7 5 10 8 8 9 10 11 10 11 9 8 9 9 16 9 6 7 8 10 6 6 10 21 12 15 10 11 10 8 9 16 10 12 14 13 22 30 20 25 33 11 10 12 10 9 8 7 4 6 8 6 5 8 7 9 5 9 15 13 7 19 16 13 7 8 13 17 26 18 46 73 100 21 14 9 5 6 8 5 5 7 6 5 7 12 9 8 8 14 31 15 12 48 44 12 8 5 34 4 6 14 7 3 5 9 6 3 5 7 5 3 5 7 5 3 5 7 5 3 5 6 4 3 5 6 4 4 5 6 4 3 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 7 5 3 5 6 5 3 5 6 5 3 5 6 4 3 5 6 4 4 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 3 4 6 6 4 6 8 6 4 7 8 7 4 6 8 10 12 11 14 25 0 26 43 43 5 16 31 10 8 6 7 5 5 6 6 5 4 7 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 4 4 6 5 3 5 6 5 3; 1HNMR: 77 77 d 1H J 22 | 76 75 dd 1H J 22 75 | 74 74 dd 1H J 6 75 | 38 37 m 1H | 24 23 m 4H | 21 21 m 1H | 21 20 m 2H | 19 18 m 1H | 17 16 m 2H | 14 13 m 2H | 14 13 d 6H J 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1SCC(F)(F)F
ir: 7 10 10 6 3 6 3 5 3 8 9 5 3 5 3 4 7 4 7 2 1 1 1 1 1 1 0 1 2 2 2 3 4 3 5 2 2 3 5 7 6 10 22 26 10 12 40 82 24 8 1 5 8 30 8 10 34 11 3 4 2 1 3 4 1 1 2 2 8 8 8 17 22 5 4 9 3 2 6 33 9 3 8 4 2 6 3 11 21 2 8 4 4 7 12 20 6 15 23 66 19 24 33 27 30 11 2 3 6 3 10 15 72 23 13 15 12 6 7 15 22 60 5 15 7 6 8 7 23 25 28 23 11 6 12 7 2 2 4 4 5 29 17 10 9 9 10 5 6 11 9 12 4 11 2 1 1 2 1 2 2 2 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 1 1 1 1 2 2 2 2 2 3 10 19 11 3 2 11 17 9 24 90 15 23 60 17 4 100 13 29 17 32 50 62 25 18 12 10 10 19 17 11 8 2 1 2 2 1 1 1 1 1 1 1 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 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 24 | 77 76 d 1H J 24 | 75 75 d 1H J 65 | 75 74 m 2H | 70 69 dd 1H J 109 162 | 56 56 dd 1H J 24 163 | 55 54 dd 1H J 24 110 | 36 35 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(I)n[nH]c2cn1
ir: 2 2 3 3 3 22 5 13 8 4 2 6 8 3 3 4 6 7 4 3 8 4 3 1 1 12 8 2 2 1 1 2 19 5 2 2 1 2 2 2 9 3 3 2 1 1 1 2 2 1 3 8 32 15 2 2 1 2 2 1 5 9 5 6 7 5 5 6 7 5 3 2 4 23 22 4 1 2 2 4 5 5 28 15 6 1 2 2 2 1 1 1 1 1 2 5 20 24 1 1 1 3 2 3 2 2 1 2 23 49 3 2 2 2 2 2 1 2 4 4 6 2 2 0 69 3 20 7 8 2 1 1 1 3 3 1 1 2 2 2 1 1 1 1 2 3 3 2 2 9 14 2 2 2 1 1 1 2 1 1 13 16 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 6 2 1 2 1 1 2 2 2 2 2 2 5 7 24 16 100 9 9 3 5 4 4 2 1 1 2 2 1 1 3 9 11 2 7 8 97 52 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 86 86 s 1H | 70 70 s 1H | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCCC1)C(=O)OC
ir: 6 5 11 8 11 7 4 3 1 2 2 3 1 4 2 1 3 7 2 2 2 2 1 2 5 1 2 10 9 14 26 57 48 15 8 4 7 11 3 3 4 3 7 1 2 3 2 2 1 2 2 1 1 2 2 3 3 3 2 0 1 1 2 3 1 2 2 2 5 3 5 3 2 4 1 2 2 1 2 2 1 1 1 1 1 1 1 2 5 3 4 1 3 1 1 3 1 2 3 4 4 2 5 2 2 3 2 6 9 9 11 10 4 7 6 11 6 5 9 11 17 20 8 12 18 4 3 3 6 4 5 2 1 3 6 29 4 2 2 2 2 4 9 33 28 75 13 5 4 100 29 6 3 0 1 2 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 6 3 6 4 3 4 5 3 5 13 12 13 12 70 17 6 1 2 2 2 1 1 1 1 1 1 3 2 1 1 1 1 1 0 2 2 4 23 69 35 9 2 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 73 72 m 2H | 73 72 m 2H | 72 72 m 1H | 59 59 d 1H J 82 | 42 42 dt 1H J 62 82 | 37 37 s 2H | 29 28 t 2H J 8 | 19 19 m 2H | 18 17 dtd 1H J 62 88 139 | 17 16 m 4H | 16 15 m 5H | 15 12 m 5H | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@@H]1COc2c(F)ccc(F)c2[C@H]1Sc1ccc(Cl)cc1
ir: 4 1 2 1 0 3 3 2 3 3 2 2 0 3 1 2 1 1 1 1 0 0 0 0 0 1 1 1 0 1 1 1 1 0 0 0 0 0 1 1 0 1 0 0 0 1 1 1 1 1 2 0 6 100 69 18 4 0 1 2 1 7 1 1 3 1 1 1 2 2 0 3 3 2 8 1 1 1 2 2 2 2 2 3 2 2 3 5 8 16 25 19 12 7 4 9 3 1 3 4 4 2 2 3 2 1 3 3 1 3 2 1 1 1 2 1 1 1 1 1 1 4 1 1 1 1 0 0 1 1 3 1 1 0 0 0 0 0 0 2 1 4 8 10 11 41 3 6 5 1 2 6 10 1 0 1 1 0 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 2 1 2 3 4 2 2 2 4 3 2 4 4 12 17 21 65 22 16 31 18 6 5 6 19 67 16 7 3 3 2 1 1 2 1 3 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 72 71 ddd 1H J 48 90 101 | 71 70 ddd 1H J 48 90 101 | 45 44 dd 1H J 50 89 | 44 43 dd 1H J 31 110 | 41 40 dd 1H J 58 110 | 39 38 ddd 1H J 53 60 114 | 36 36 ddd 1H J 53 60 115 | 30 29 t 1H J 54 | 25 24 dqd 1H J 31 60 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc12
ir: 3 3 4 2 3 2 0 5 3 2 1 4 6 2 1 2 2 2 4 3 4 2 1 2 3 8 1 2 2 1 1 4 3 0 6 3 2 1 1 4 2 1 1 3 2 1 1 4 9 4 3 4 5 8 16 6 19 3 3 3 3 2 5 18 27 3 10 7 8 7 2 2 2 1 3 2 3 5 6 2 1 1 2 2 1 4 11 6 3 2 15 4 1 1 3 3 2 6 3 3 5 10 4 12 12 2 3 2 1 5 4 2 0 1 3 1 1 3 3 2 1 2 3 2 8 3 3 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 4 15 30 11 4 3 4 6 5 4 1 2 2 2 1 7 5 5 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 4 2 1 1 2 2 2 2 1 1 2 2 3 3 3 16 5 100 15 9 9 8 3 1 2 4 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 81 81 d 1H J 77 | 75 74 m 3H | 73 73 dd 1H J 22 77 | 73 73 t 1H J 9 | 71 70 m 2H | 55 54 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C#Cc2ccc(F)c(Br)c2)cc1OC(C)=O
ir: 3 4 7 5 3 5 4 3 2 3 4 5 3 4 5 4 4 4 4 6 5 6 7 7 7 15 12 6 8 5 4 3 6 9 9 4 6 7 4 2 3 6 11 2 3 4 5 5 10 8 4 5 4 11 25 10 17 7 4 0 7 8 11 7 7 7 33 26 45 46 7 3 4 6 2 2 3 4 5 4 5 5 3 2 10 5 3 3 8 8 5 2 4 4 9 5 8 14 4 7 8 4 2 3 4 3 4 4 4 4 2 13 6 12 4 6 6 9 8 7 9 5 4 10 20 4 9 16 8 3 2 3 4 2 2 4 4 1 2 15 3 6 18 3 18 21 6 8 19 27 24 5 23 6 9 4 3 2 3 5 3 2 7 4 3 2 3 3 3 1 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 5 2 3 4 3 2 3 4 5 5 4 5 6 8 16 24 19 100 41 9 5 4 6 4 4 2 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 77 77 dd 1H J 22 31 | 75 74 ddd 1H J 21 36 77 | 73 72 m 3H | 70 70 d 1H J 78 | 38 38 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.
COc1cc2ccccc2cc1C(=O)Nc1cccc2c1CCN(C)C2
ir: 1 3 3 8 7 5 4 5 5 4 5 21 4 3 3 2 3 2 8 2 2 2 2 2 2 2 2 3 5 21 6 11 16 5 6 5 2 4 4 3 1 1 16 17 26 19 31 78 47 6 6 3 4 3 5 8 4 2 1 1 2 4 4 3 5 19 4 13 5 4 4 1 2 2 4 9 17 10 3 2 6 39 2 1 5 4 4 6 4 2 4 4 13 7 3 5 3 11 8 10 7 3 2 3 5 8 7 3 2 3 3 6 5 3 4 4 3 3 4 2 2 5 1 2 2 2 1 3 2 3 1 3 2 2 3 7 28 50 0 4 5 2 5 26 82 5 4 4 6 1 4 18 18 22 11 27 2 8 20 33 4 4 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 3 2 3 4 12 3 7 100 51 11 4 4 2 3 3 3 3 1 1 1 2 2 1 1 1 2 2 7 4 2 15 18 77 26 12 12 12 3 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; 1HNMR: 84 83 m 1H | 79 79 m 1H | 77 77 m 1H | 76 76 ddd 1H J 15 68 82 | 76 75 d 1H J 24 | 75 74 m 2H | 72 72 t 1H J 82 | 70 69 dt 1H J 11 82 | 39 39 s 3H | 37 36 d 2H J 7 | 29 28 m 5H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cnc(Cl)cn1
ir: 16 21 21 13 5 30 35 40 47 100 60 87 20 10 6 17 9 15 4 10 9 4 2 6 7 4 3 7 7 3 4 6 6 4 4 6 7 4 5 11 11 5 5 7 5 4 5 7 5 3 5 7 5 4 6 9 6 4 10 9 9 9 9 10 5 6 6 6 13 65 28 53 11 5 6 8 14 20 7 7 4 4 6 6 4 5 6 6 9 9 8 7 7 7 3 6 23 52 36 12 9 33 14 11 0 5 12 9 5 6 9 5 3 6 10 13 29 26 33 14 5 8 12 8 3 7 12 12 26 27 30 47 25 16 8 7 5 6 20 8 22 8 7 5 5 36 16 32 5 7 7 4 6 8 6 3 4 7 6 6 7 9 5 2 5 7 5 2 5 7 5 2 5 7 5 3 5 7 5 3 5 7 4 3 5 7 4 3 5 6 4 3 6 6 4 3 6 6 4 4 6 6 4 4 6 6 3 4 6 6 3 4 6 5 3 4 7 5 3 4 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 6 4 3 5 6 4 3 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 5 7 6 6 7 8 7 7 5 6 5 3 5 7 8 7 14 13 21 13 11 7 5 3 5 7 5 3 5 6 4 3 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 4 3 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 6 5 4 4 6 5 4 4 6 5 4 4 6 5 4 4 6 5 3 5 6 5 3 5 6 5 3; 1HNMR: 89 89 s 1H | 86 86 s 1H | 16 16 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(Br)cc(C(=O)Nc2ccccc2CC(=O)OC)c1
ir: 4 2 3 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 6 3 2 3 3 2 0 2 2 2 1 2 6 2 4 6 4 2 46 21 20 16 12 23 6 4 1 2 2 1 0 1 2 1 0 0 1 0 0 2 1 2 3 3 4 6 2 3 3 2 0 1 1 2 3 1 0 1 1 1 1 1 1 1 0 1 1 1 5 12 3 4 4 4 2 3 2 2 2 1 1 4 12 1 1 1 0 0 1 1 0 0 0 1 3 2 3 1 3 4 8 5 3 2 2 12 6 3 2 1 1 1 1 0 1 2 2 17 1 4 3 6 25 100 15 32 16 6 4 3 5 7 4 1 4 2 1 1 2 3 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 0 1 1 2 2 2 2 4 3 16 27 8 2 3 1 1 1 1 1 1 2 2 1 1 1 3 3 3 2 3 7 10 16 10 9 12 11 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 t 1H J 22 | 82 81 t 1H J 22 | 81 81 t 1H J 22 | 77 76 dd 1H J 13 80 | 74 74 ddt 1H J 8 18 76 | 73 72 m 1H | 71 70 td 1H J 13 74 | 70 69 q 1H J 51 | 37 37 d 2H J 9 | 37 36 s 3H | 30 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOCc1cc2c3ccccc3[nH]c(=O)n2n1
ir: 4 6 6 4 6 13 7 7 4 5 6 5 6 6 7 4 2 5 5 3 3 5 6 3 4 19 92 50 13 11 5 4 9 25 4 4 5 10 27 5 6 13 76 50 9 15 33 67 56 3 6 11 5 3 4 6 7 4 4 6 5 4 4 5 9 16 10 14 14 41 84 38 10 11 25 11 4 3 4 5 6 18 17 5 4 4 4 4 5 3 4 4 3 4 10 48 63 21 9 5 16 4 5 12 15 9 4 4 4 7 8 10 14 5 6 5 5 6 12 14 11 6 10 5 8 6 5 15 36 42 11 19 24 4 4 5 12 26 6 6 5 16 14 8 5 6 9 7 6 4 4 5 28 14 33 21 8 0 4 85 67 8 6 23 33 22 5 1 3 5 3 2 4 5 3 3 3 4 3 3 3 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 4 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 4 3 3 3 4 4 3 4 4 5 4 4 6 6 4 8 6 4 5 5 9 8 14 14 12 22 51 29 29 28 19 9 5 6 6 4 3 4 4 4 4 5 5 6 5 5 10 11 15 15 41 100 85 12 16 10 5 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 78 77 dq 1H J 8 72 | 75 74 dt 2H J 9 45 | 73 73 dq 1H J 42 71 | 72 72 d 1H J 11 | 46 46 d 2H J 10 | 36 35 t 2H J 63 | 17 16 p 2H J 67 | 14 13 h 2H J 70 | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC=C(C(=O)OC)C(=O)c1cccc(C(F)(F)F)c1
ir: 3 3 7 2 5 2 1 2 2 4 3 1 1 2 2 3 10 2 3 4 4 4 2 2 2 2 2 15 3 1 2 3 13 8 4 4 7 3 5 7 8 100 11 5 3 3 4 4 15 4 2 0 0 1 1 1 2 1 2 0 1 1 4 1 2 5 2 33 7 1 4 3 12 9 3 10 1 1 1 2 2 3 2 4 10 2 1 2 0 1 1 1 1 1 0 1 11 4 6 18 20 2 1 6 4 2 3 1 0 2 4 10 37 4 4 3 3 4 6 22 9 2 4 5 3 4 13 7 7 3 4 36 16 3 2 3 2 0 7 65 19 3 3 4 6 1 3 2 4 68 4 5 2 4 1 2 3 0 1 1 1 3 3 2 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 2 1 1 1 1 1 1 2 1 2 3 2 2 2 11 11 5 14 35 26 8 2 3 1 1 1 0 0 1 0 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 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 1; 1HNMR: 82 82 t 1H J 21 | 80 80 ddd 1H J 11 21 75 | 79 78 t 1H J 9 | 78 77 ddd 1H J 12 22 107 | 76 75 dd 1H J 75 106 | 40 39 qd 2H J 9 67 | 38 38 s 2H | 13 13 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(N)=O
ir: 6 10 3 2 2 1 3 2 2 2 6 4 1 2 8 7 4 8 7 4 1 1 1 1 3 4 4 8 11 5 5 10 20 10 20 5 11 16 23 26 20 8 6 3 1 3 2 0 1 2 1 1 1 3 10 2 2 5 2 1 1 1 2 1 1 1 11 3 3 4 3 2 3 2 1 1 2 1 1 1 1 1 4 1 1 2 1 2 4 2 2 3 2 2 4 2 4 6 6 5 5 8 71 4 2 1 1 1 1 1 1 1 4 2 0 3 8 2 3 4 2 3 5 4 3 2 2 6 12 5 4 3 2 1 1 1 1 1 1 1 2 3 44 13 7 11 7 10 5 53 8 7 4 2 3 4 6 0 100 13 3 5 2 2 3 7 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 2 1 1 1 1 1 2 1 1 1 1 1 2 2 5 12 3 4 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 2 2 4 18 29 5 2 2 3 48 40 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; 1HNMR: 90 90 s 2H | 79 79 d 1H J 82 | 77 76 m 2H | 68 68 s 2H | 60 59 t 1H J 58 | 47 47 dd 2H J 9 57 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccccc1)c1cc(-c2ccncc2)n[nH]c1=O
ir: 3 2 2 2 4 1 1 1 1 1 1 2 2 7 1 2 1 1 1 2 6 3 1 1 3 2 1 2 2 3 7 3 2 12 3 5 8 16 22 11 44 10 7 1 3 6 3 11 2 1 3 1 3 8 30 100 18 4 3 2 1 1 2 1 1 1 1 2 3 4 2 2 14 7 10 6 4 3 3 1 6 2 3 2 1 1 1 1 4 4 1 1 1 2 1 2 2 4 10 3 1 1 1 2 1 1 1 1 1 1 0 20 1 1 2 1 1 2 3 3 2 3 4 6 3 4 7 4 2 1 1 1 1 2 2 5 3 4 2 3 14 5 15 12 9 4 9 7 9 32 18 19 3 3 2 1 7 15 3 2 2 3 1 2 2 7 6 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 4 9 35 29 16 6 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 8 5 10 17 25 36 6 8 2 6 2 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 t 1H J 57 | 88 87 m 2H | 81 80 s 1H | 76 75 m 2H | 74 72 m 6H | 45 45 dt 2H J 8 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(Oc2c(Br)cc(CBr)cc2Br)ccc1O
ir: 8 9 11 8 11 8 10 8 17 8 9 8 10 8 8 9 11 10 12 10 9 10 8 8 9 8 8 8 8 8 10 10 9 10 15 12 10 12 13 10 10 10 10 14 10 7 8 8 7 8 9 9 22 70 56 10 9 10 9 11 12 10 8 7 10 24 29 22 27 11 9 8 9 7 8 11 15 7 22 63 60 12 13 12 9 9 12 17 10 12 9 17 20 14 12 13 9 15 11 8 9 10 14 18 10 8 10 9 14 11 9 8 8 7 8 7 11 8 8 12 9 10 10 11 7 17 9 9 10 8 11 9 8 8 11 93 8 7 6 8 8 9 9 10 18 16 11 9 7 10 33 9 9 8 20 9 8 6 7 10 8 6 13 8 7 6 7 8 7 7 7 8 7 7 7 8 8 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 7 7 6 7 7 7 7 8 8 7 7 8 8 7 7 9 9 10 9 9 9 7 8 10 9 7 7 9 8 6 7 10 8 6 9 11 11 10 18 20 23 59 44 22 12 4 10 18 7 4 100 0 12 14 6 4 8 9 7 5 8 9 7 6 8 8 6 6 8 8 6 7 8 7 6 7 8 8 7 7 8 9 9 8 8 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 76 75 d 2H J 9 | 69 68 m 3H | 53 52 s 1H | 45 45 d 2H J 9 | 32 31 pd 1H J 9 68 | 12 11 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)NC1CCCCC1
ir: 3 5 5 4 4 2 2 6 5 7 5 4 3 1 1 2 2 1 1 6 5 3 3 22 4 12 10 13 5 8 25 42 47 10 41 20 38 42 9 6 13 6 7 7 4 2 2 4 2 2 2 3 2 5 21 40 42 9 5 7 2 6 3 3 2 2 2 3 4 20 2 1 2 2 3 1 3 3 2 6 3 1 1 1 1 1 3 15 1 2 1 1 2 2 3 3 9 6 6 7 2 1 2 1 1 6 4 4 8 13 12 25 11 5 4 3 4 3 3 10 12 7 5 12 8 10 5 4 5 6 14 25 5 3 8 3 3 2 1 4 43 46 100 48 40 61 34 40 39 10 37 3 4 2 1 1 2 1 1 1 1 2 2 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 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 1 1 1 1 1 2 1 3 3 2 4 3 3 4 2 4 6 9 18 36 14 53 42 35 6 4 4 3 2 2 3 1 1 1 1 1 1 1 2 1 2 3 2 4 7 11 48 31 11 4 4 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 m 2H | 76 75 m 1H | 76 75 m 2H | 71 71 dq 2H J 9 88 | 69 68 m 2H | 62 61 d 1H J 82 | 60 60 d 1H J 77 | 55 55 s 2H | 45 44 dt 1H J 63 77 | 40 39 dp 1H J 49 82 | 30 29 ddt 1H J 9 64 140 | 27 26 ddt 1H J 9 63 140 | 18 17 m 2H | 17 16 m 2H | 15 14 m 6H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)S(=O)(=O)N(Cc1ccccc1)C(=O)N2C
ir: 8 6 4 8 17 9 20 11 17 10 11 19 2 2 7 7 3 1 1 4 6 6 2 5 11 2 1 2 1 1 2 15 21 3 4 32 3 0 2 34 43 10 2 2 3 2 1 3 5 18 11 0 1 3 34 16 17 1 1 2 4 3 2 19 5 7 30 5 14 6 2 2 1 1 2 4 7 5 5 6 5 0 26 100 33 48 4 1 10 9 5 33 5 3 2 6 4 4 6 3 2 1 1 1 1 2 5 1 2 1 1 1 2 1 1 4 12 11 10 7 5 7 0 5 35 24 3 11 10 8 8 4 1 2 3 32 11 6 3 2 2 2 16 53 10 7 5 5 2 4 5 40 44 26 2 9 5 1 1 3 2 1 1 16 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 2 1 1 1 2 2 1 1 2 2 1 2 3 25 27 37 36 19 15 4 1 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 22 | 81 81 dd 1H J 21 81 | 78 77 d 1H J 81 | 74 73 ddt 2H J 9 16 82 | 74 72 m 3H | 51 51 t 2H J 8 | 39 39 s 2H | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c(=O)[nH]c(-c3ccc(C#N)cc3)cc12
ir: 3 2 0 1 3 2 1 4 6 3 1 2 3 4 7 4 5 20 5 3 3 3 6 6 3 1 4 3 25 4 5 3 3 23 3 4 4 4 4 2 2 4 5 1 5 44 70 13 6 5 10 100 9 19 5 20 24 32 8 5 2 0 2 3 1 1 2 3 6 14 8 16 12 1 3 3 1 0 4 3 1 1 4 3 0 0 3 2 1 2 4 4 0 1 7 3 2 3 2 20 22 6 3 3 0 3 5 2 0 1 3 2 2 2 4 3 6 12 5 10 18 7 11 8 3 5 7 7 4 5 13 6 54 17 0 2 11 26 4 2 22 15 5 3 1 5 34 51 7 4 3 2 23 7 34 42 57 7 4 2 46 90 2 1 19 5 2 1 2 3 1 0 1 3 2 1 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 0 1 3 3 1 2 4 2 1 2 17 6 9 40 69 59 17 11 3 6 4 2 4 2 4 2 2 2 1 2 1 2 3 2 2 5 11 9 59 60 13 12 12 2 2 4 3 1 2 3 2 1 1 3 2 1 1 3 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 79 78 m 1H | 78 78 m 3H | 77 77 m 2H | 74 74 ddd 1H J 8 15 81 | 73 73 t 1H J 81 | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@@H](CO)NC(=O)c2cc(C(=O)N(C)CC(C)C)cc(-c3ccc(C)cc3)c2)cn1
ir: 4 8 0 13 16 5 8 9 7 5 2 6 9 8 6 8 13 8 3 7 9 15 12 13 21 12 7 8 11 6 6 7 5 5 8 13 24 8 16 40 37 73 26 13 9 10 5 4 4 6 4 4 4 4 50 8 4 1 5 3 3 2 5 6 10 4 6 19 16 13 27 8 5 8 7 4 6 12 8 4 3 1 4 3 2 3 7 10 20 7 11 8 5 8 32 16 20 72 39 12 8 8 6 5 3 4 9 15 7 8 16 6 2 4 6 8 4 7 15 5 4 4 14 35 23 11 9 17 6 15 22 8 6 8 4 5 17 68 10 2 4 5 5 13 82 42 94 42 35 19 5 2 10 13 6 3 2 3 3 5 25 4 4 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 3 2 2 3 2 2 2 3 2 1 2 2 2 2 2 3 2 1 2 2 2 2 2 2 1 2 3 2 2 2 3 2 3 4 4 3 2 4 5 4 3 2 7 4 5 4 9 10 15 42 65 35 13 63 100 30 16 20 9 3 2 3 3 2 1 3 2 3 3 2 3 3 3 5 40 56 4 4 3 1 1 3 3 1 2 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 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1; 1HNMR: 83 83 d 2H J 22 | 83 82 t 1H J 21 | 82 82 dd 1H J 7 19 | 80 80 d 1H J 90 | 76 76 m 3H | 73 72 dq 2H J 9 84 | 68 67 d 1H J 80 | 50 50 ddd 1H J 42 51 92 | 41 40 ddd 1H J 47 56 125 | 40 39 s 2H | 39 38 ddd 1H J 47 56 125 | 32 31 d 2H J 51 | 31 30 t 1H J 56 | 30 29 s 2H | 24 24 d 3H J 9 | 19 18 pt 1H J 50 68 | 9 8 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.