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CC(C)(O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
ir: 3 3 1 3 1 1 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 9 5 2 1 1 1 1 2 1 5 3 9 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 3 10 34 10 4 2 1 2 1 1 2 6 9 10 6 6 6 3 1 2 1 1 2 2 2 4 2 4 2 2 3 2 2 5 4 3 1 1 1 1 0 0 1 2 1 1 1 2 3 1 1 1 1 2 1 3 7 11 12 6 3 8 2 5 3 4 3 2 2 1 1 1 1 1 2 2 3 4 4 3 4 1 2 2 1 1 7 3 1 3 3 6 21 5 1 1 2 1 1 1 1 1 1 2 2 2 3 1 6 4 8 2 1 2 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 1 0 1 1 1 2 2 1 1 2 2 2 1 1 2 2 2 3 2 3 2 5 5 7 3 3 3 2 3 11 100 12 4 3 0 2 1 1 1 2 2 4 15 2 4 5 13 15 5 3 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 52 | 78 77 dd 1H J 21 52 | 76 76 d 1H J 20 | 72 71 d 1H J 20 | 71 71 d 1H J 21 | 59 59 d 1H J 73 | 40 40 s 1H | 36 36 m 4H | 34 34 dp 1H J 51 73 | 27 27 m 4H | 19 18 m 3H | 17 14 m 9H | 16 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(F)cccc1Br
ir: 4 3 1 2 4 4 2 2 3 2 1 3 4 2 1 2 3 2 2 3 5 4 5 7 3 2 2 3 3 1 2 3 3 1 2 5 30 46 2 4 4 2 8 13 11 6 74 61 46 9 4 2 2 4 3 2 3 4 4 4 4 4 9 3 7 4 4 4 4 3 3 2 7 22 26 9 2 1 3 3 2 2 4 4 2 2 3 3 1 2 6 26 2 5 3 3 2 3 4 8 14 3 3 2 1 2 9 7 1 2 3 2 1 2 3 2 1 2 4 3 3 3 3 2 2 3 5 4 2 3 3 2 1 4 33 44 7 12 16 26 3 3 3 2 3 7 4 2 2 2 2 3 3 0 27 30 6 12 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 3 1 3 4 2 1 2 5 3 0 3 9 5 38 29 75 100 21 5 13 9 5 2 1 3 3 2 2 3 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 dd 1H J 14 77 | 71 70 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H]1CCNC[C@H]1c1ccccc1
ir: 6 2 7 5 4 9 10 9 7 3 10 4 2 8 5 12 5 6 7 16 16 4 6 2 1 2 3 4 2 5 6 9 13 6 7 21 7 3 3 9 30 59 41 52 10 15 23 9 5 9 17 67 100 16 15 17 25 41 25 6 5 6 8 14 9 5 3 4 4 20 6 17 25 14 4 3 5 8 8 7 13 6 2 2 3 2 1 1 3 3 4 10 15 2 2 4 14 16 4 14 6 3 2 3 7 5 2 8 11 27 28 32 16 48 27 16 73 35 9 11 25 8 7 6 20 8 22 14 10 11 25 13 9 7 11 17 24 4 2 4 4 3 14 39 49 21 7 7 4 1 2 6 4 6 2 4 2 0 1 5 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 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 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 4 3 3 5 7 6 6 5 4 4 7 7 9 6 22 11 33 30 57 22 6 2 4 4 2 2 3 4 2 2 2 3 2 2 5 6 55 80 91 11 5 3 4 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 m 3H | 72 72 m 2H | 41 40 m 2H | 33 32 m 2H | 31 30 m 3H | 29 28 tt 1H J 40 49 | 27 26 td 1H J 51 76 | 22 21 dtd 1H J 31 52 136 | 20 19 dddd 1H J 30 55 77 134 | 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.
COc1ccccc1-c1ccc(F)c(COC(=O)N2[C@H](C)CNC[C@@H]2C)c1F
ir: 4 13 7 13 3 4 9 30 9 5 4 2 3 2 1 2 4 5 7 3 4 5 7 2 1 1 1 0 1 2 1 0 0 2 1 1 5 15 4 3 5 2 10 36 13 3 2 7 3 3 1 0 2 6 23 45 11 13 11 38 51 25 11 10 5 7 4 2 2 3 4 2 5 20 2 6 3 1 1 1 0 1 2 5 3 2 1 1 1 1 3 2 4 1 3 6 2 3 3 4 3 1 1 1 4 5 6 8 10 6 5 33 31 9 10 28 7 12 6 6 6 5 7 6 8 10 6 5 6 8 17 7 5 5 3 11 23 8 10 4 2 2 2 1 2 4 12 11 9 9 50 100 13 2 2 1 2 20 3 2 2 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 1 1 0 0 1 1 1 1 3 5 1 1 1 3 2 1 2 2 4 2 2 9 12 1 19 28 22 12 3 0 1 2 1 1 1 1 0 0 1 3 1 1 4 17 12 27 7 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 73 72 m 2H | 71 70 dd 1H J 81 102 | 70 69 dd 1H J 32 57 | 55 54 t 2H J 48 | 41 40 qdd 2H J 21 49 73 | 39 39 s 2H | 30 30 ddd 2H J 22 43 117 | 28 27 dt 2H J 47 119 | 21 20 p 1H J 43 | 13 13 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1C[C@H](O)C1)OCc1ccccc1
ir: 1 1 7 4 3 1 1 6 2 3 4 1 3 1 1 1 1 1 0 1 3 1 1 1 1 2 10 2 1 2 12 3 1 2 1 0 1 2 2 3 13 6 62 13 5 14 12 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 5 4 29 3 4 2 2 0 1 5 5 2 2 3 3 2 2 1 3 10 5 3 8 21 53 24 12 5 4 6 3 17 5 2 14 3 3 1 1 1 2 2 2 1 1 1 0 1 1 0 0 1 1 1 1 1 2 2 1 2 1 2 4 8 2 5 6 15 8 10 2 5 4 1 1 6 7 1 0 2 3 4 13 7 15 1 5 1 1 0 1 1 1 0 1 1 1 0 0 0 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 3 1 3 4 3 2 4 3 5 5 5 5 11 6 39 33 12 6 5 5 6 11 22 100 26 10 11 5 3 4 4 3 2 1 2 2 2 2 6 19 34 6 3 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 53 53 d 1H J 86 | 51 51 s 2H | 43 42 dp 1H J 73 88 | 40 39 pd 1H J 55 75 | 33 33 d 1H J 55 | 20 18 qt 4H J 73 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CNCCN1CCn2nccc21
ir: 2 3 1 6 5 6 10 21 10 12 2 6 14 5 0 3 4 3 2 8 5 2 6 7 8 10 20 22 23 26 32 12 11 8 6 6 4 3 3 2 4 4 4 7 7 8 2 2 2 3 3 7 16 16 4 4 3 2 2 2 3 6 6 2 5 10 7 8 16 36 60 31 12 6 4 5 3 5 10 18 35 6 13 33 34 23 16 5 4 4 5 3 2 19 37 9 20 7 6 3 2 4 3 9 37 80 4 8 5 3 5 9 10 13 14 8 7 7 8 10 14 35 27 31 4 12 9 4 8 5 6 2 2 18 13 3 8 7 6 18 41 54 60 27 6 11 6 9 13 4 3 5 4 12 47 100 14 26 7 2 2 3 2 0 1 2 2 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 3 1 8 18 11 3 3 3 4 3 3 20 42 7 4 5 13 18 9 4 4 3 2 3 2 1 1 3 2 2 3 4 4 10 12 32 28 27 15 46 48 21 19 6 3 1 3 3 1 1 3 2 1 2 2 4 4 1 2 2 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 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 83 dt 1H J 9 64 | 75 75 d 1H J 38 | 67 66 dt 1H J 43 64 | 60 59 d 1H J 38 | 40 40 m 2H | 38 38 m 2H | 38 37 t 2H J 49 | 35 34 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C(=O)NCc1ccc(C#N)cc1)c1cc(-c2ccccc2)ccc1F
ir: 2 2 2 3 10 5 2 5 7 4 7 8 5 6 10 11 1 1 2 1 2 3 4 6 17 9 10 11 13 10 4 37 12 12 17 20 19 22 1 8 36 37 47 4 7 12 7 10 11 3 5 6 11 3 31 13 22 23 18 4 7 22 2 6 2 3 4 18 8 36 6 6 18 8 4 1 2 2 4 4 10 1 2 1 18 2 3 15 2 2 5 1 1 1 3 6 9 6 17 6 3 2 0 0 1 1 1 1 1 1 1 2 1 3 2 1 2 4 14 11 16 12 8 5 12 10 6 3 2 3 0 1 2 1 3 11 2 1 1 4 14 84 39 24 7 11 36 12 14 12 10 17 8 6 3 2 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 0 0 7 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 2 1 2 2 2 3 2 6 4 3 11 12 24 100 74 15 13 14 8 2 2 1 2 4 1 1 2 1 1 1 1 2 2 2 7 4 16 22 76 21 5 3 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0; 1HNMR: 77 76 m 2H | 76 75 m 3H | 75 73 m 7H | 73 72 dd 1H J 86 101 | 54 53 ddt 1H J 11 22 35 | 46 45 m 2H | 33 33 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)cc2c(Br)ccnc12
ir: 1 1 1 1 1 1 1 2 4 1 1 1 1 16 4 4 1 1 1 1 1 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 3 33 5 2 100 5 5 2 0 1 1 1 1 3 2 5 6 14 8 8 5 11 3 4 5 2 11 14 2 8 2 1 1 1 1 1 1 11 1 1 1 1 1 1 8 3 1 2 9 1 1 2 2 41 6 1 1 2 2 9 19 10 6 3 1 2 4 9 4 3 2 1 1 1 2 3 2 1 1 1 1 3 1 1 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 4 7 14 14 19 2 1 1 1 49 4 2 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 2 1 1 2 2 6 6 10 20 17 28 10 5 2 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 38 | 79 79 d 1H J 21 | 76 75 d 1H J 38 | 73 73 d 1H J 24 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)Nc2cccc(Oc3ccc(N)nc3)c2)n(C)n1
ir: 1 3 1 3 5 3 2 2 1 2 2 2 1 2 1 2 3 2 2 1 1 1 2 2 2 2 4 1 1 1 1 1 1 4 3 6 3 1 2 2 2 0 3 3 4 7 12 3 6 4 1 1 4 12 2 1 1 1 1 0 1 0 0 1 1 1 0 3 3 2 1 1 1 1 1 2 1 1 0 0 1 1 1 0 0 0 0 1 3 1 4 1 2 1 1 1 0 0 0 0 1 2 0 1 4 1 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 1 0 1 0 0 0 1 1 0 0 0 1 0 1 1 1 9 4 3 1 2 2 3 3 30 0 6 5 6 11 9 9 8 4 2 11 2 2 2 9 9 13 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 1 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 4 11 10 6 2 1 1 1 1 1 1 1 0 1 1 1 1 1 2 7 14 2 1 1 2 28 6 2 2 7 2 13 100 6 4 2 1 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 75 75 d 1H J 18 | 73 73 ddd 1H J 13 20 79 | 73 72 m 1H | 72 72 t 1H J 22 | 70 69 dd 1H J 19 81 | 67 67 d 1H J 82 | 66 66 ddd 1H J 14 21 75 | 64 64 s 1H | 54 54 s 2H | 40 40 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2ccc(F)cn2)c1COc1cnc(C(=O)NC2CCOCC2)cn1
ir: 5 4 2 4 15 19 9 66 0 7 19 11 12 21 16 38 11 11 22 5 10 15 5 4 3 7 11 30 12 13 3 5 3 3 10 16 12 29 10 4 5 20 33 31 14 4 5 4 5 4 5 6 8 9 40 37 6 7 6 6 4 3 5 5 4 4 5 11 7 43 100 3 9 11 17 12 9 5 4 3 7 5 4 3 3 3 4 5 7 4 7 4 6 5 17 14 10 5 7 6 6 5 3 5 6 4 5 8 9 10 6 29 19 15 7 7 36 30 5 6 7 13 15 8 5 5 31 10 10 14 76 11 3 4 4 4 4 5 10 43 15 5 7 26 21 21 35 17 6 4 10 38 19 30 4 2 2 2 3 54 11 5 3 1 2 4 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 2 2 2 3 3 2 3 3 2 2 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 3 3 3 3 6 5 4 4 5 6 6 5 6 3 7 6 6 10 16 12 11 42 21 7 5 4 4 3 3 3 3 2 3 3 3 2 4 4 4 4 10 12 7 6 8 22 83 36 5 4 3 4 3 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 88 88 s 1H | 86 85 dd 1H J 19 140 | 82 81 s 1H | 78 78 dd 1H J 46 86 | 76 75 ddd 1H J 19 86 103 | 72 71 d 1H J 86 | 52 52 s 2H | 39 39 dp 1H J 50 86 | 37 37 ddd 2H J 30 57 117 | 35 35 ddd 2H J 31 59 117 | 24 24 s 2H | 20 19 dddd 2H J 30 50 57 140 | 18 17 dddd 2H J 30 50 57 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1
ir: 1 9 9 4 4 5 4 1 7 2 6 5 3 3 3 2 2 2 3 1 1 1 1 2 3 5 2 4 2 4 4 1 1 1 2 1 2 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 2 4 1 0 0 1 0 0 0 1 1 1 2 5 14 5 2 1 0 1 1 0 0 1 1 2 2 3 1 0 0 0 1 1 0 0 0 1 0 0 2 1 0 0 0 0 3 1 0 0 0 0 0 0 0 1 1 1 2 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 5 26 1 0 1 1 0 1 1 0 1 1 10 3 2 2 2 0 1 6 13 9 74 8 19 10 12 15 4 2 1 1 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 1 0 1 1 1 0 1 5 3 30 3 0 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 5 13 2 1 1 1 1 1 1 2 3 2 64 100 9 4 2 1 1 2 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 22 | 75 74 d 1H J 74 | 73 72 dd 1H J 22 73 | 63 62 s 2H | 37 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(CCOc2ccc(CC(CC(=O)O)c3ncc(C)s3)cc2)n1
ir: 6 4 5 2 2 5 13 8 8 3 4 7 6 6 16 4 11 7 11 12 19 52 21 18 6 6 5 2 2 1 1 1 6 6 2 2 2 3 3 3 3 3 2 1 5 14 27 29 22 8 3 3 4 3 2 8 13 6 2 2 2 2 2 3 2 4 4 3 5 5 2 1 1 3 3 1 3 8 8 11 10 8 4 3 3 3 2 3 3 2 3 4 2 3 6 1 5 6 10 8 5 3 3 2 3 6 5 5 3 2 2 4 4 3 8 2 2 3 1 4 4 7 1 4 4 4 4 4 6 2 5 2 3 4 2 3 4 2 5 18 100 27 19 17 12 14 23 43 52 7 2 2 5 1 2 11 11 8 8 8 2 3 2 2 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 1 1 2 2 2 5 7 2 4 3 3 4 4 7 1 24 38 24 6 5 1 2 2 2 3 24 12 1 0 1 2 1 0 1 1 2 1 3 7 8 17 88 11 8 8 5 1 2 3 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 dq 2H J 9 84 | 69 69 dq 1H J 10 75 | 68 68 m 2H | 65 65 dd 1H J 12 78 | 57 56 q 1H J 47 | 44 44 t 2H J 59 | 38 37 tt 1H J 71 80 | 32 31 m 3H | 31 30 m 1H | 30 29 ddt 1H J 9 72 149 | 29 29 d 3H J 48 | 29 28 dd 1H J 81 176 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cc2ccccc2)nnc(N2CCNCC2)c1C
ir: 1 1 4 2 1 2 2 3 1 4 3 4 5 1 2 2 3 2 5 3 3 4 3 2 2 10 12 2 5 9 3 2 3 8 19 10 9 8 36 10 13 9 4 4 5 3 2 3 3 5 5 17 70 100 8 6 13 2 4 4 3 4 5 6 5 7 6 5 8 14 3 4 3 2 1 2 1 1 3 3 5 2 2 2 3 4 11 11 7 9 5 4 2 1 4 3 5 4 15 8 2 2 5 5 2 2 7 18 21 20 16 14 5 16 33 20 19 17 13 7 9 11 5 5 5 3 6 5 7 19 5 7 4 5 23 21 6 4 5 2 1 7 17 18 31 17 6 4 2 6 3 6 9 3 1 1 1 1 1 2 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 2 1 1 2 2 4 2 2 2 2 5 5 3 15 18 15 71 19 9 5 4 2 3 2 2 1 1 1 2 1 1 3 5 5 6 7 86 48 9 5 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0; 1HNMR: 72 71 m 6H | 41 40 d 2H J 9 | 36 36 m 4H | 29 29 m 4H | 23 23 s 2H | 21 21 s 2H | 20 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOC(C)(C#C)c1ccccc1
ir: 1 1 2 2 2 12 2 3 2 2 2 3 2 3 3 1 1 1 1 1 2 4 3 1 1 2 2 1 1 5 19 5 9 5 3 2 2 3 3 0 52 28 4 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 2 3 6 4 2 2 8 6 11 7 1 5 7 11 18 12 9 17 10 3 2 1 2 1 1 1 1 1 1 1 1 1 2 3 2 4 5 2 2 2 2 1 1 1 1 1 1 1 1 2 2 7 7 2 1 1 2 2 2 2 2 1 1 2 1 2 2 4 4 3 2 2 1 5 17 9 1 1 2 2 2 7 7 6 6 3 3 2 1 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 3 10 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 3 3 6 6 6 7 31 18 5 4 3 2 2 1 2 1 1 1 2 1 1 2 25 100 5 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; 1HNMR: 74 73 m 6H | 44 43 dd 1H J 26 77 | 42 42 dd 1H J 24 77 | 26 26 s 1H | 24 24 t 1H J 26 | 19 19 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2cc(COc3cccc4cccnc34)ccc2c1
ir: 1 1 1 1 1 1 1 2 1 5 10 9 17 1 1 1 0 1 1 1 1 1 1 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 2 3 3 18 12 16 9 47 6 14 2 2 1 1 5 10 6 4 2 1 1 1 2 4 6 4 1 3 2 2 4 1 3 2 1 2 2 1 1 4 3 2 5 4 1 2 1 2 3 1 1 1 1 1 3 5 20 5 1 6 3 1 1 2 1 8 1 1 2 5 3 2 1 1 1 1 0 5 6 2 1 1 2 3 4 4 3 1 1 1 1 1 1 1 1 2 2 5 5 2 2 6 1 1 2 3 24 9 8 6 5 3 1 1 3 2 2 10 4 4 2 2 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 9 26 100 17 21 8 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 dd 1H J 16 40 | 81 81 dt 1H J 16 82 | 80 79 d 1H J 81 | 78 78 dt 1H J 19 78 | 78 77 q 1H J 17 | 77 76 dd 1H J 11 86 | 75 73 m 7H | 71 71 dd 1H J 9 88 | 52 51 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccnc(Cl)c1C(F)(F)F
ir: 4 3 2 2 3 3 2 2 3 2 2 5 4 2 2 3 6 16 4 5 2 2 2 3 13 19 3 3 3 1 1 2 2 2 1 3 2 2 2 7 9 3 2 2 3 8 4 4 2 1 1 3 3 2 2 3 3 2 4 6 2 1 4 3 2 1 15 4 3 2 2 2 2 8 7 4 2 3 4 2 6 6 4 6 9 14 20 73 31 20 35 14 13 8 7 5 1 3 100 29 5 4 4 3 2 2 4 13 4 3 3 2 1 1 3 2 1 2 3 6 12 7 4 3 2 3 3 2 1 2 2 1 1 2 2 1 1 2 5 8 1 2 3 1 2 6 6 4 6 18 6 1 3 3 2 1 2 44 25 2 2 4 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 3 2 1 6 13 7 2 3 3 3 2 5 13 5 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 d 1H J 38 | 73 73 dt 1H J 9 38 | 52 52 dd 2H J 8 54 | 34 33 t 1H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCc2c(c3cc(C(=O)O)ccc3n2CCc2ccc(CO)nc2)C1
ir: 1 1 0 2 3 2 2 2 1 1 2 1 1 1 1 2 1 1 1 1 2 15 26 5 1 1 1 2 1 1 1 3 3 1 2 4 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 7 0 2 1 1 0 0 1 0 0 1 3 3 1 3 4 2 1 1 1 0 3 3 24 1 1 8 3 2 1 3 3 2 3 6 3 2 2 1 3 1 1 2 3 1 2 1 1 1 1 1 1 1 1 1 0 1 1 2 2 1 2 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 2 5 13 1 1 1 1 2 5 1 1 2 2 1 1 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 0 2 8 4 3 1 1 2 2 3 14 8 100 21 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dt 1H J 8 18 | 81 81 d 1H J 16 | 80 79 dd 1H J 14 84 | 74 73 d 1H J 82 | 73 72 ddt 1H J 9 20 78 | 70 69 dt 1H J 9 77 | 45 45 dd 2H J 9 57 | 42 41 t 2H J 61 | 39 38 s 2H | 31 30 m 5H | 28 27 m 2H | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)NCCc1c(C(=O)NC)[nH]c2ccc(OC)cc12
ir: 5 6 2 4 4 2 2 2 3 2 1 2 3 2 1 3 5 6 6 5 3 7 4 4 5 7 7 9 72 8 4 10 5 3 3 5 9 10 4 14 50 29 5 17 7 13 18 9 4 1 4 3 4 6 18 4 3 2 3 3 2 1 3 3 3 4 7 16 9 2 4 3 3 1 2 4 4 3 3 2 2 1 2 2 1 1 3 2 2 2 2 2 1 1 3 2 1 2 3 2 1 2 3 7 3 9 5 2 6 4 3 3 10 13 9 3 1 3 5 3 7 9 10 8 7 6 5 5 2 3 3 1 1 3 3 1 0 4 5 0 100 4 3 4 3 15 4 3 13 19 46 16 48 8 7 2 3 2 2 1 2 2 2 2 2 3 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 3 9 11 2 6 12 17 3 2 2 2 1 2 3 3 2 4 4 2 1 2 3 2 3 3 6 5 4 17 22 54 27 17 7 16 6 3 2 2 2 2 2 2 3 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 99 99 s 1H | 75 74 d 1H J 74 | 71 71 q 1H J 50 | 71 70 d 1H J 27 | 70 70 dd 1H J 27 73 | 58 58 ddd 1H J 16 31 46 | 54 53 t 1H J 39 | 39 38 s 2H | 35 34 m 2H | 35 34 s 2H | 32 31 qd 2H J 39 61 | 30 30 d 3H J 49 | 12 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCSc1nnc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)s1
ir: 3 1 2 2 1 2 3 5 1 2 1 1 1 2 5 3 7 8 1 2 2 0 1 1 0 1 1 0 1 1 4 3 13 5 1 4 1 2 2 5 2 2 3 2 2 6 5 17 34 49 18 5 2 2 1 1 2 2 1 2 3 1 7 3 1 2 3 3 5 3 3 3 3 1 1 0 0 0 1 2 1 9 6 10 2 2 2 5 9 7 1 1 0 1 0 1 1 1 2 2 1 2 2 2 1 1 2 2 1 5 3 4 2 7 5 3 4 2 4 3 5 2 3 2 2 1 3 2 5 7 5 5 13 8 6 6 0 1 1 1 0 1 1 1 1 1 4 18 16 2 9 100 9 2 4 3 3 2 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 0 0 0 0 0 0 0 0 0 0 0 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 3 1 0 1 1 1 1 1 2 1 2 3 13 11 8 3 10 13 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 6 7 7 7 15 21 11 12 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; 1HNMR: 78 78 d 2H J 21 | 77 77 t 1H J 22 | 34 33 t 2H J 60 | 28 28 t 2H J 59 | 27 26 q 5H J 69 | 14 13 s 16H | 11 10 t 7H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1C2CCC1C(c1ccc(Cl)nc1)C2
ir: 23 9 8 11 13 5 3 5 8 5 3 4 5 4 2 5 6 4 3 5 7 4 2 4 5 2 2 8 6 11 12 6 5 2 4 15 10 3 2 5 4 1 2 5 4 1 3 6 4 2 5 5 7 11 20 11 5 1 6 10 3 1 3 8 7 1 3 5 3 6 10 6 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 6 2 3 5 3 1 2 5 4 2 3 5 3 3 5 9 13 3 11 11 12 8 7 8 9 5 4 6 3 1 4 6 4 2 3 6 5 3 7 9 8 2 6 15 23 37 29 10 5 3 4 5 2 2 4 4 2 2 4 4 4 7 10 100 55 5 8 4 1 2 5 4 4 9 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 4 1 3 6 4 2 4 8 5 6 5 6 10 7 4 13 11 4 3 5 3 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 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 84 83 m 1H | 75 75 m 1H | 73 72 d 1H J 80 | 40 40 dt 1H J 34 49 | 39 39 tt 1H J 36 46 | 37 37 s 2H | 33 32 dt 1H J 47 54 | 24 23 dt 1H J 47 128 | 21 20 dt 1H J 45 126 | 20 19 dddd 2H J 14 28 62 115 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(C)(C)CNC
ir: 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2 2 3 4 7 5 8 8 4 3 2 2 2 1 1 4 5 2 3 1 5 3 1 2 2 2 9 2 3 5 2 6 5 6 5 3 2 1 2 12 3 1 1 1 2 2 1 1 2 1 1 2 3 2 2 2 1 1 1 2 1 1 2 1 2 1 2 3 1 0 2 14 33 100 22 1 2 3 2 2 5 5 3 2 2 3 2 5 6 3 4 2 3 4 6 3 3 2 2 5 7 3 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 1 1 1 1 1 2 1 2 2 1 1 5 3 2 6 9 2 9 3 2 2 4 3 3 2 3 4 2 1 2 1 1 1 1 2 1 6 16 36 34 17 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 57 56 ddt 1H J 72 106 159 | 52 51 dq 1H J 13 159 | 50 49 dq 1H J 13 106 | 25 25 d 2H J 49 | 24 24 d 3H J 45 | 19 19 dt 2H J 15 71 | 17 16 h 1H J 47 | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCn1ccc2ccc(-c3cccnc3)cc21
ir: 13 7 9 22 10 3 9 6 4 3 3 5 2 4 4 2 1 3 3 1 1 29 18 18 5 6 4 16 4 12 21 23 16 74 14 15 29 1 2 5 9 10 4 4 3 1 2 4 10 0 3 11 5 16 34 28 98 12 6 10 7 9 52 18 27 20 37 12 35 7 4 2 3 17 15 4 9 8 7 5 4 6 5 4 5 4 18 31 8 9 7 9 15 5 5 21 7 13 9 7 19 7 8 7 9 16 6 6 2 4 3 29 72 9 2 5 6 12 5 6 5 8 6 6 3 4 5 4 7 9 5 5 1 3 5 2 2 8 26 100 5 6 4 3 4 4 3 4 5 7 7 12 16 14 60 6 3 4 45 14 4 3 2 3 3 5 3 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 2 2 3 3 5 4 4 5 4 13 19 26 59 76 21 29 40 14 5 3 4 2 2 2 2 2 1 2 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 d 1H J 19 | 87 86 dd 1H J 17 48 | 80 80 m 1H | 79 79 dt 1H J 19 77 | 79 78 dd 1H J 21 74 | 76 76 d 1H J 22 | 74 73 dd 1H J 47 76 | 72 72 dt 1H J 9 51 | 65 64 dd 1H J 11 51 | 41 41 td 2H J 8 38 | 28 27 t 2H J 38 | 23 22 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CO)CCCCC(=O)CCCC(C)(C)CO
ir: 1 1 3 3 1 1 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 0 1 3 2 3 2 2 3 1 3 4 2 1 2 2 1 1 2 1 1 2 2 2 1 1 2 2 2 3 9 18 47 21 29 26 19 16 6 5 4 3 2 3 1 1 2 2 3 1 1 1 0 2 1 2 3 2 1 3 2 2 3 2 2 4 4 4 2 3 2 1 1 2 1 1 2 3 4 2 1 1 1 1 1 2 11 11 1 2 2 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 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 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 1 1 1 0 0 1 1 0 1 1 1 1 1 2 3 2 3 3 3 4 3 3 6 5 7 5 4 9 9 9 3 4 3 6 5 6 6 18 30 100 44 39 8 2 6 3 3 3 6 3 2 2 3 4 2 5 3 4 4 3 2 3 2 1 3 2 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 34 33 dd 4H J 23 65 | 25 24 m 7H | 16 15 m 5H | 15 13 m 7H | 10 9 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)[C@@H](N)CCC(F)C(N)C(=O)O)C(=O)O
ir: 0 0 0 0 1 2 1 1 1 2 2 5 4 4 2 3 3 2 6 3 10 28 11 9 5 4 2 2 1 2 2 0 1 1 0 1 1 2 3 7 7 4 2 3 2 2 1 0 1 2 3 4 3 2 2 2 2 2 8 1 1 4 2 3 1 2 2 5 9 1 2 1 4 3 22 15 3 6 9 36 39 12 20 2 1 1 1 2 0 1 1 1 0 0 1 1 1 1 1 0 1 0 0 0 0 1 2 1 1 1 2 1 2 1 1 1 5 1 2 1 6 6 10 4 5 4 3 4 3 1 1 4 25 21 9 4 1 2 2 1 3 3 15 12 6 8 7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 2 3 1 1 1 1 1 1 0 0 0 0 1 1 0 2 6 36 100 7 5 2 5 28 6 6 9 5 1 3 26 11 4 10 7 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: 79 79 d 1H J 86 | 56 56 dd 2H J 37 70 | 51 50 d 2H J 57 | 48 48 dt 1H J 57 77 | 47 47 dt 0H J 54 76 | 44 43 dq 1H J 62 86 | 40 39 m 1H | 38 37 tt 1H J 56 64 | 21 19 m 2H | 18 16 m 2H | 14 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1cccc(OCc2ncc3ccccc3n2)c1
ir: 1 1 1 2 5 3 3 4 4 9 3 3 1 4 5 4 3 3 2 1 1 3 1 1 1 1 1 1 7 4 9 10 3 2 6 2 2 2 1 1 15 11 15 35 4 4 8 26 4 2 14 3 7 5 3 4 9 16 10 1 4 5 21 24 5 4 4 1 3 18 24 4 4 12 7 5 2 0 3 4 2 2 4 2 5 1 1 1 3 6 12 3 3 1 1 1 1 3 2 3 2 1 0 1 5 21 10 2 3 4 10 2 1 1 1 1 2 2 1 2 3 2 3 3 2 3 2 5 4 2 2 3 2 3 2 9 28 3 3 3 21 13 10 7 6 62 7 7 12 3 1 6 17 9 8 16 3 3 1 0 2 7 1 0 1 12 10 4 1 1 1 0 1 1 1 1 1 1 1 4 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 2 1 1 1 2 2 6 4 14 23 100 33 5 9 3 1 0 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 95 94 d 1H J 21 | 80 80 m 1H | 80 79 ddd 1H J 10 21 93 | 78 77 td 1H J 11 79 | 75 75 ddd 1H J 11 79 94 | 73 72 t 1H J 79 | 71 70 ddq 1H J 10 20 77 | 69 68 m 2H | 53 52 s 2H | 38 38 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)OC(C)(C)C)c1
ir: 6 14 11 7 10 11 4 4 9 10 8 4 2 2 3 2 4 5 7 10 15 2 1 1 8 7 4 1 2 4 6 4 2 3 3 1 6 6 3 9 22 4 3 4 1 1 1 0 2 2 4 4 7 11 29 34 6 2 2 5 6 2 4 2 5 7 29 27 12 4 2 1 2 2 1 1 2 2 7 5 2 33 18 17 55 22 4 2 5 6 6 1 1 3 1 3 3 7 11 4 4 19 19 6 7 5 6 5 2 1 1 1 2 2 1 2 4 9 5 4 4 6 5 5 76 4 9 7 6 18 11 6 6 1 0 1 1 1 1 2 4 11 19 18 31 13 3 4 15 48 1 3 2 5 1 1 1 0 1 4 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 2 3 2 4 4 3 7 6 5 3 4 3 6 3 10 100 47 33 83 33 26 8 1 5 5 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 81 80 dd 1H J 21 32 | 80 79 ddd 1H J 22 36 93 | 75 75 d 1H J 22 | 74 73 m 2H | 70 69 d 1H J 80 | 48 47 s 2H | 39 39 t 2H J 78 | 34 34 t 2H J 78 | 33 33 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3N)CC2)c(C)c1
ir: 2 1 2 3 2 2 2 1 1 1 3 1 2 1 2 3 4 4 2 1 4 5 4 3 2 1 7 5 1 1 4 1 7 2 1 3 5 17 9 1 2 14 3 4 1 2 1 1 1 1 1 4 3 1 2 4 10 2 2 2 2 2 1 2 3 1 6 5 6 1 1 0 1 1 1 1 1 1 2 3 2 1 3 3 3 4 2 7 8 12 3 3 1 2 2 2 3 2 1 10 2 5 1 2 1 4 1 1 1 0 1 2 2 1 2 1 2 1 1 3 5 1 2 1 2 3 3 5 1 1 3 1 0 2 4 1 1 0 2 2 7 1 1 2 2 5 10 6 2 1 1 1 6 9 14 4 6 100 4 3 3 0 0 1 6 9 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 0 0 1 1 2 1 1 1 1 1 1 1 4 11 5 11 20 2 1 2 1 1 1 1 0 0 1 0 0 0 0 0 1 0 3 2 1 0 0 1 0 0 0 1 3 14 70 5 2 4 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 q 1H J 10 | 78 77 d 1H J 84 | 73 73 s 2H | 71 71 m 1H | 69 69 d 1H J 21 | 69 68 dd 1H J 22 84 | 40 40 m 2H | 37 36 m 4H | 36 36 dd 4H J 42 57 | 33 33 dd 2H J 67 76 | 24 23 d 3H J 8 | 22 21 s 3H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C=O)=Cc1ccc(F)cc1
ir: 0 0 0 0 0 0 0 1 0 2 1 1 0 0 0 0 0 1 1 3 6 3 3 2 2 3 1 0 1 1 1 1 4 1 0 1 0 0 0 1 5 1 0 1 0 0 1 6 3 0 4 5 2 3 10 32 15 5 2 0 5 2 2 4 6 9 14 5 13 2 4 2 1 1 0 1 1 0 0 0 0 0 1 1 1 1 5 4 1 0 0 0 0 1 1 1 1 2 3 3 28 20 44 15 2 2 7 6 5 1 0 1 0 0 0 0 1 1 0 2 2 2 1 2 6 2 1 2 1 1 1 2 1 0 0 0 0 0 0 1 1 1 1 2 17 4 1 4 5 12 100 8 5 3 1 1 2 1 8 3 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 1 1 0 0 1 1 0 1 1 2 1 6 10 41 38 13 8 8 3 1 1 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 0 0; 1HNMR: 96 95 p 1H J 11 | 76 75 m 3H | 71 71 m 2H | 20 20 t 3H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(N)sc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 2 2 3 2 1 1 1 2 3 6 8 7 1 2 2 2 1 2 2 3 4 2 3 1 3 4 2 3 2 3 8 8 23 22 6 15 1 2 4 13 25 23 18 2 2 2 1 1 1 1 1 1 2 2 1 0 1 2 1 0 0 1 1 2 2 8 1 1 4 8 12 5 4 2 4 5 3 1 8 3 3 9 2 2 2 1 1 1 1 2 2 1 1 1 1 2 1 2 3 2 3 3 1 1 3 1 0 1 1 1 0 2 6 3 9 4 2 1 1 1 1 0 1 1 3 8 5 3 6 2 2 1 2 4 8 72 9 2 0 3 3 0 5 29 12 13 11 3 2 3 3 7 16 32 4 3 5 2 1 1 2 1 1 1 1 1 0 0 1 1 3 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 2 1 1 1 0 2 1 4 9 9 5 51 100 63 11 12 2 3 4 1 2 2 1 1 1 1 1 1 1 1 1 10 0 1 1 0 1 1 1 0 1 2 3 4 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 12H J 39 | 73 72 m 3H | 70 70 d 1H J 82 | 68 67 d 1H J 82 | 59 58 s 2H | 44 44 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.
COc1cccc(C2OC(CC(=O)O)c3nnc(CCO)n3-c3ccc(Cl)cc32)c1OC
ir: 8 3 6 5 8 4 10 10 2 9 42 19 4 13 31 9 9 10 15 38 100 31 8 7 10 10 2 4 6 7 2 5 5 1 1 6 4 2 2 9 27 23 4 9 3 5 12 16 12 7 6 6 6 7 22 25 4 3 2 7 11 2 3 22 18 5 7 13 5 7 5 9 4 8 12 24 6 1 35 42 29 13 8 6 14 7 19 17 9 12 47 43 36 6 15 6 4 5 6 3 1 3 4 6 5 4 2 3 3 8 4 5 3 3 3 3 3 3 3 4 10 5 1 4 4 3 2 5 3 13 12 3 2 4 4 6 5 5 5 11 27 17 12 22 4 2 4 4 25 3 8 2 1 3 4 0 3 8 6 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 1 2 5 8 3 4 3 4 6 5 11 11 8 8 69 38 15 4 4 4 4 6 18 25 71 4 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1; 1HNMR: 76 75 m 3H | 72 71 dt 1H J 10 79 | 70 70 t 1H J 80 | 69 68 dd 1H J 12 80 | 59 59 d 1H J 9 | 53 52 t 1H J 72 | 41 40 m 3H | 39 38 d 6H J 60 | 35 34 dd 1H J 71 178 | 33 32 dd 1H J 72 177 | 30 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(OC)cc1C(C=O)c1ccccc1
ir: 4 3 2 2 2 3 3 3 1 4 6 4 7 2 9 7 12 12 14 11 13 8 27 17 29 16 13 9 6 12 45 62 42 21 16 37 19 35 94 59 39 38 29 20 6 9 6 6 5 2 3 5 6 24 65 22 6 1 5 8 5 2 4 11 7 8 5 26 14 19 11 6 8 5 7 5 7 6 8 8 3 1 3 3 2 9 4 3 4 3 4 7 3 9 7 6 1 2 6 10 4 4 5 9 8 17 12 6 4 7 5 5 7 2 3 2 1 3 4 4 3 3 6 9 9 11 9 5 1 3 5 1 2 4 11 60 8 6 12 34 80 28 29 40 30 24 19 14 14 26 11 27 30 20 16 10 9 3 3 2 5 6 10 20 13 5 3 2 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 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 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 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 4 2 2 1 1 2 2 2 1 6 11 6 7 8 13 20 30 100 70 45 19 7 4 2 2 3 3 3 3 2 2 1 2 3 1 3 4 5 6 25 27 54 32 15 6 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 98 d 1H J 92 | 77 77 d 1H J 84 | 74 73 m 5H | 71 70 dd 1H J 7 22 | 69 69 dd 1H J 22 84 | 64 64 q 1H J 50 | 50 49 m 1H | 38 38 s 2H | 29 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(-c2cccs2)[nH]n1
ir: 3 6 3 2 3 1 0 1 3 2 0 3 4 3 3 3 4 2 5 9 25 100 45 8 11 7 4 3 4 1 1 2 2 1 1 2 3 2 3 3 3 1 2 4 2 1 2 3 4 4 9 14 5 3 4 3 2 0 1 3 1 0 2 3 3 4 2 4 1 0 2 7 6 2 3 8 8 16 19 5 1 1 3 3 1 2 6 3 3 7 11 4 1 1 2 2 0 1 2 3 13 14 3 3 4 6 3 3 1 2 3 3 10 3 2 1 0 1 3 2 1 4 2 2 0 2 2 2 1 12 9 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 6 12 3 1 4 4 1 1 1 2 2 2 14 4 2 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 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 0 1 2 2 1 2 3 2 1 2 4 8 5 3 4 3 5 5 4 1 0 2 9 48 81 4 2 2 1 1 1 1 1 1 2 1 2 2 3 12 7 14 19 3 3 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 dd 1H J 17 50 | 74 74 dd 1H J 16 60 | 73 73 s 1H | 71 71 dd 1H J 50 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCc1ccc(OCC=NO)c(C)c1C
ir: 6 7 17 49 94 51 43 100 9 12 5 3 2 2 3 2 0 1 2 1 2 2 2 1 0 2 3 2 1 4 3 1 1 1 1 3 10 2 2 1 2 2 1 0 1 1 1 1 1 1 2 4 5 6 11 0 1 2 2 0 1 1 2 2 4 7 9 6 4 4 5 3 2 2 4 11 7 5 8 8 3 2 1 1 1 1 0 1 2 2 1 3 2 2 1 3 5 5 50 43 3 8 2 2 2 1 0 1 2 1 1 2 4 6 0 1 1 1 1 2 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 4 1 1 1 1 0 0 0 5 4 2 1 1 0 0 1 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 2 1 1 1 2 1 1 1 2 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 3 2 5 10 5 4 5 3 1 1 1 1 1 3 12 55 17 2 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 73 72 t 1H J 53 | 69 68 dt 1H J 9 88 | 66 66 d 1H J 86 | 48 48 d 2H J 53 | 36 36 t 2H J 59 | 35 34 q 2H J 62 | 29 28 td 2H J 9 59 | 22 22 s 3H | 21 21 s 3H | 12 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2c(c1)CCO2)C1CCNCC1
ir: 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 5 9 6 2 1 2 6 4 1 1 1 1 5 5 2 2 1 2 2 2 7 26 23 26 10 2 5 3 6 1 1 3 14 9 3 2 0 1 3 6 4 15 24 3 5 5 3 2 2 2 7 4 2 2 11 4 2 4 7 2 2 1 2 3 1 1 1 1 1 1 1 2 6 3 1 6 3 2 4 3 2 3 1 2 1 1 1 1 1 1 2 3 2 2 5 3 6 19 16 54 31 18 6 0 3 2 5 1 4 3 6 5 27 10 5 4 1 3 10 5 3 2 2 1 1 2 6 4 11 11 4 2 2 2 2 8 12 2 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 2 2 1 2 2 3 5 5 16 12 12 16 6 4 4 3 1 1 1 1 1 1 2 1 2 2 2 2 3 31 100 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 dd 1H J 20 84 | 78 77 dt 1H J 9 19 | 69 68 d 1H J 84 | 45 44 t 2H J 42 | 33 32 p 1H J 39 | 32 32 m 1H | 32 31 m 1H | 32 31 q 1H J 62 | 31 30 dddd 2H J 28 40 55 137 | 29 28 dddd 2H J 28 40 55 136 | 21 20 dddd 2H J 27 55 62 135 | 19 18 dddd 2H J 29 55 63 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(CC)c1/C=N/C(C(C)C)C(C)C
ir: 10 7 9 7 4 4 3 4 5 3 3 5 5 5 4 6 5 7 5 9 12 3 4 4 4 2 2 3 3 2 2 3 3 4 8 8 3 3 5 22 28 2 4 4 8 15 13 33 77 19 6 9 10 3 4 4 2 1 3 5 9 3 3 7 6 12 18 10 6 5 6 7 15 14 15 28 8 7 9 6 4 10 5 7 4 14 12 3 5 9 9 8 2 4 7 8 10 24 13 11 6 7 16 11 13 12 26 7 5 13 11 15 4 12 18 16 15 9 19 16 10 10 13 7 9 11 24 8 10 6 14 18 8 16 9 9 4 3 5 10 33 11 3 2 2 3 4 3 3 4 3 3 8 11 12 1 2 15 40 24 32 8 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 1 2 2 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 3 6 9 3 6 5 6 5 6 9 8 17 12 14 17 71 100 6 41 71 41 0 6 12 4 2 4 4 3 1 4 4 2 1 3 3 2 1 3 3 2 1 3 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 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 84 s 1H | 72 72 m 2H | 71 71 dd 1H J 74 89 | 31 30 dddq 1H J 15 29 60 74 | 28 27 qd 4H J 8 70 | 17 16 dhept 2H J 61 90 | 13 12 t 6H J 70 | 9 9 dd 6H J 15 59 | 9 8 dd 6H J 15 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-n2cncn2)c1C#N
ir: 3 2 1 2 3 2 1 2 7 3 3 3 3 2 1 2 3 1 1 3 3 1 2 3 4 2 2 4 3 1 2 3 3 0 2 37 58 8 3 1 4 4 2 2 7 64 40 73 12 57 3 6 3 2 3 5 5 6 4 3 2 1 2 3 9 8 8 7 4 1 2 6 7 12 6 4 2 2 4 3 2 14 4 2 1 1 2 2 2 1 5 4 7 10 6 5 3 12 11 22 15 3 4 3 1 5 24 3 0 2 4 4 1 2 3 3 6 8 6 3 1 3 4 2 2 4 9 11 4 3 3 3 3 4 4 2 2 3 3 18 16 4 3 2 1 3 3 1 1 3 2 1 3 4 4 2 32 7 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 3 2 2 4 3 3 1 2 4 2 1 2 3 3 2 4 9 11 2 13 31 8 100 60 7 4 4 5 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 90 90 d 1H J 16 | 83 83 d 1H J 18 | 76 76 dd 1H J 13 73 | 76 76 t 1H J 74 | 70 69 dd 1H J 13 73 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(Cl)coc2cn1
ir: 6 3 3 6 19 23 5 4 4 3 2 12 25 29 4 4 6 16 39 5 2 6 100 99 21 16 1 7 6 2 2 5 5 2 2 7 18 25 3 7 9 2 3 4 3 2 3 5 4 2 3 4 16 0 3 5 11 14 7 6 3 1 3 5 3 2 5 19 15 8 28 24 4 2 5 6 10 5 4 64 58 6 17 5 2 2 5 5 3 5 10 5 1 2 5 4 1 3 4 4 6 65 56 4 0 2 6 4 7 7 5 3 1 3 35 60 5 6 6 3 1 3 5 3 1 5 26 15 5 5 6 3 2 3 4 2 2 6 8 2 2 4 8 8 19 28 5 10 3 4 4 6 6 5 4 2 2 4 3 1 2 5 53 4 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 4 2 2 4 3 2 3 4 3 2 3 5 3 1 3 5 4 16 13 9 11 2 43 10 3 2 3 4 6 13 4 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 88 88 s 1H | 86 86 s 1H | 72 72 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1
ir: 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 2 1 1 1 1 1 1 1 1 0 5 2 2 2 1 0 1 1 1 0 0 1 1 2 7 15 4 4 3 25 9 3 4 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 2 3 2 2 3 2 1 1 1 1 1 1 2 1 1 1 0 1 1 4 6 1 1 1 1 1 1 2 1 2 2 3 1 1 1 1 2 1 1 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 11 3 1 1 1 5 26 4 2 1 0 2 3 0 1 4 15 100 8 8 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 3 19 5 3 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 5 10 6 3 2 2 2 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 1H | 66 65 ddd 1H J 12 20 81 | 64 64 dtd 2H J 12 22 40 | 38 38 s 2H | 38 37 m 4H | 33 33 m 4H | 30 30 m 2H | 26 25 m 2H | 19 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OC(C)C)cc(C)c1-c1csc(N)n1
ir: 4 2 1 2 3 3 1 3 3 3 5 4 3 1 0 2 5 2 1 3 4 1 1 5 5 2 3 4 8 6 5 3 3 6 5 15 4 11 8 25 17 7 9 19 7 6 3 3 5 4 13 7 3 2 3 5 4 1 12 7 6 2 4 11 20 11 12 6 7 17 38 26 8 4 13 15 61 16 11 6 12 42 12 8 5 11 8 6 3 2 2 2 2 4 17 4 6 10 4 26 8 4 4 4 2 4 11 28 36 27 6 9 2 11 10 8 21 25 36 20 27 9 8 5 8 6 16 13 20 50 24 13 8 6 2 2 3 2 3 3 2 4 11 19 18 3 4 3 4 8 2 1 1 2 2 2 51 3 3 0 2 7 8 46 5 4 1 2 2 1 2 2 2 1 2 2 1 1 1 1 2 1 2 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 4 11 17 9 4 2 2 6 3 5 6 9 7 21 27 85 100 24 55 60 54 38 9 5 3 3 3 2 3 3 2 2 3 4 36 12 8 6 3 2 2 12 7 1 2 1 2 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 1 1; 1HNMR: 70 70 s 1H | 66 66 s 2H | 62 62 s 2H | 47 46 p 1H J 57 | 23 23 s 6H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCN(CCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)Cc1ccccc1
ir: 1 4 2 1 3 1 2 2 7 1 1 6 4 2 1 1 0 1 0 1 2 3 2 3 2 1 1 2 1 3 11 12 4 3 1 2 3 1 10 52 11 34 8 4 5 4 5 6 5 1 2 2 4 2 0 0 0 1 1 0 1 3 4 4 4 1 2 4 4 5 1 1 1 1 2 1 3 1 9 7 1 1 1 1 2 4 3 7 8 7 3 4 6 4 1 1 2 6 1 3 2 1 1 1 1 2 1 1 1 1 1 7 3 2 2 1 1 1 1 2 4 2 3 2 1 1 1 2 2 2 2 3 3 2 10 22 5 4 2 2 2 5 14 22 4 13 18 36 21 5 4 11 24 1 1 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 2 1 1 1 3 6 10 16 18 100 35 11 4 1 1 2 1 2 1 1 1 0 1 1 1 1 1 1 0 2 2 11 7 10 8 17 4 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 10H | 73 72 m 4H | 72 71 dq 2H J 10 71 | 60 59 d 1H J 88 | 45 44 m 2H | 41 40 dtt 1H J 49 73 88 | 37 37 dd 1H J 49 118 | 35 34 dd 1H J 49 118 | 34 34 t 2H J 62 | 33 32 t 2H J 59 | 30 29 ddt 1H J 8 74 141 | 29 28 m 2H | 28 27 t 2H J 60 | 27 26 ddt 1H J 9 74 140 | 24 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(c2ccc(Cl)cc2)=C(Br)C1=O
ir: 1 1 2 2 6 6 2 1 2 2 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 3 3 1 1 1 1 1 1 1 2 2 5 28 30 5 2 2 3 2 1 1 1 1 1 4 4 8 6 7 4 2 2 4 6 2 3 3 1 1 1 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 3 7 5 3 2 6 7 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 4 5 1 1 5 4 4 5 8 9 4 4 6 9 15 6 13 25 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 7 67 100 14 1 3 17 17 7 2 2 1 1 1 1 1 0 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 2 2 3 3 10 25 14 25 24 13 14 6 7 5 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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; 1HNMR: 77 76 m 2H | 75 75 m 2H | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(c(N3CCN(C)CC3)c1)OC(C(=O)Nc1ccc(N3CCCNC3=O)cc1)CC2
ir: 1 1 3 1 1 2 3 4 2 5 2 2 1 3 6 3 7 5 3 4 5 4 6 3 1 1 1 2 4 8 3 3 2 2 4 3 6 7 22 22 21 8 16 17 4 2 2 6 4 9 5 3 8 2 11 10 48 7 3 0 3 4 3 5 1 3 6 9 6 8 3 2 2 5 3 2 1 1 3 16 5 2 1 1 2 2 1 1 4 10 4 1 2 6 2 1 2 3 5 7 3 8 1 2 12 4 5 2 2 2 6 3 4 3 1 2 3 2 1 4 1 2 1 2 2 4 3 3 2 3 6 5 1 1 2 2 11 8 0 2 3 2 1 8 4 1 8 9 1 3 7 29 9 23 8 9 100 22 2 2 1 2 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 2 2 4 8 3 8 16 11 4 3 3 4 2 1 1 1 1 1 1 2 1 1 2 2 2 2 3 1 5 49 23 41 32 6 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; 1HNMR: 94 94 s 1H | 76 75 m 2H | 74 73 m 2H | 64 63 t 1H J 41 | 64 63 s 2H | 50 49 t 1H J 47 | 39 38 m 2H | 38 38 s 2H | 34 33 m 4H | 33 32 m 2H | 32 32 q 2H J 44 | 30 30 ddd 2H J 41 51 112 | 30 29 m 1H | 29 29 s 3H | 29 28 m 1H | 25 24 dddd 1H J 48 62 90 151 | 22 21 dddd 1H J 46 62 88 146 | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccn2cc(CCl)nc2c1
ir: 3 2 6 2 2 3 1 1 0 1 2 1 2 3 3 2 4 4 2 2 2 1 1 1 1 1 1 3 4 5 3 1 0 1 1 0 1 2 2 0 2 3 2 4 3 8 7 3 2 7 38 56 6 57 53 3 3 1 2 2 2 1 12 45 56 27 39 37 11 2 3 9 3 4 8 5 1 16 3 2 1 1 1 1 1 1 2 6 8 3 1 1 2 2 2 4 2 5 9 22 35 10 6 10 3 1 2 2 7 3 4 8 3 2 2 1 2 1 2 4 3 2 3 2 1 2 1 2 1 2 1 2 2 3 8 4 7 3 2 1 1 1 2 7 8 3 6 3 1 2 3 4 10 70 50 19 2 1 1 1 7 3 2 4 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 3 2 2 2 4 3 3 4 5 3 1 2 2 9 4 9 22 10 81 52 100 80 69 50 16 9 6 4 3 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 d 1H J 71 | 80 80 t 1H J 9 | 72 72 p 1H J 15 | 67 67 dp 1H J 11 73 | 46 46 d 2H J 10 | 24 23 t 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(c2ccc(C(F)(F)F)cc2)CCOc2cccnc21
ir: 8 8 0 3 7 3 0 3 5 3 3 4 5 2 2 8 13 3 4 39 39 2 2 3 6 5 1 4 3 2 1 4 5 1 2 6 5 3 2 22 26 4 3 5 6 2 4 12 4 2 3 6 6 6 28 17 6 4 38 7 4 2 21 20 6 6 7 8 7 4 26 20 7 2 9 16 17 12 8 21 69 13 3 7 17 5 9 9 2 2 9 4 2 3 5 4 2 3 32 56 23 3 6 5 3 17 29 8 0 6 9 10 85 18 10 15 6 6 6 2 3 4 7 9 8 8 17 10 38 33 16 37 6 44 29 12 4 4 16 15 3 2 3 2 2 3 3 5 3 12 12 3 3 8 28 6 6 4 3 2 2 3 2 1 2 3 2 0 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 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 2 2 3 3 2 3 7 5 4 3 5 3 2 4 7 7 5 18 24 32 4 4 5 2 2 3 3 3 3 4 6 11 18 16 34 15 7 10 18 20 100 80 9 1 1 4 3 1 1 3 3 1 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 82 dd 1H J 20 35 | 76 76 dq 2H J 13 69 | 74 73 m 2H | 71 71 dd 1H J 35 71 | 70 69 dd 1H J 22 71 | 44 43 ddd 1H J 39 65 119 | 43 42 ddd 1H J 38 66 119 | 30 29 s 2H | 28 27 ddd 1H J 38 65 168 | 26 25 ddd 1H J 38 65 168
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=N\OC1(C)CCCC1)C(C)=O
ir: 36 43 31 19 7 14 18 11 7 14 16 9 5 15 15 10 5 11 13 8 6 18 24 8 5 12 14 11 8 16 12 7 10 14 13 5 7 14 11 6 7 15 12 9 9 15 11 4 9 15 11 3 9 17 12 5 12 16 9 4 11 16 9 6 12 34 9 6 13 51 22 19 17 22 15 30 36 16 8 8 14 13 7 6 12 13 6 7 14 14 6 7 14 11 5 8 15 13 19 16 14 10 5 9 14 12 8 13 17 12 7 14 21 22 20 15 18 16 7 17 21 17 9 16 18 18 21 21 42 61 96 23 33 16 7 14 14 8 7 12 13 9 8 12 11 7 7 12 11 7 8 12 10 9 13 21 100 0 7 16 11 3 8 15 10 3 8 15 10 3 9 16 9 3 9 15 8 4 10 14 8 4 10 14 8 5 10 13 7 5 11 13 7 5 11 12 7 6 12 12 6 6 12 11 6 7 12 11 5 7 13 10 5 7 13 10 5 8 13 10 4 8 14 9 4 9 14 9 4 9 14 9 4 9 14 8 5 10 13 8 5 10 13 8 5 11 12 7 6 11 12 7 6 11 12 7 6 12 11 6 7 12 11 6 7 12 11 6 9 20 14 8 8 13 11 9 14 14 12 8 15 25 20 45 43 51 16 7 10 14 9 6 10 13 8 5 10 13 8 6 10 12 8 6 11 12 7 6 11 12 7 6 11 11 7 7 11 11 6 7 11 10 6 7 12 10 6 8 12 10 6 8 12 10 5 8 13 9 5 9 13 9 5 9 13 9 5 9 13 8 5 9 12 8 6 10 12 8 6 10 12 8 6 10 11 7 7 11 11 7 7 11 11 7 7 11 10 7 7 11 10 6 8 12 10 6 8 12 10 6 8 12 9 6 9 12 9 5 9 13; 1HNMR: 44 43 q 2H J 71 | 26 26 s 3H | 20 19 m 5H | 19 18 m 2H | 17 16 m 2H | 14 13 s 3H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC1CCN(C(=O)[C@@H](N)CO)CC1
ir: 1 1 1 2 1 1 1 1 0 2 4 3 4 2 3 3 3 3 5 4 5 6 2 2 3 5 3 8 5 5 6 6 2 2 2 2 2 1 1 1 2 4 1 1 1 2 1 2 4 2 10 5 2 1 2 2 1 0 1 1 1 4 4 4 9 7 4 5 6 6 2 1 1 2 3 3 8 5 3 1 1 2 2 3 3 2 1 1 1 2 3 4 2 4 8 7 3 2 2 10 1 2 4 2 2 2 1 3 2 2 1 2 2 4 1 1 2 2 2 1 1 4 2 2 2 2 1 2 2 3 2 3 7 20 5 2 3 3 3 1 2 5 1 4 6 5 1 4 2 1 4 1 2 1 1 1 10 19 2 1 5 3 1 1 1 0 1 5 2 0 0 1 0 0 0 1 0 0 0 0 0 1 1 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 1 0 0 0 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 2 1 2 2 2 2 1 1 1 4 1 3 4 11 3 2 1 4 29 36 5 3 3 2 1 2 3 8 6 3 4 2 1 13 100 34 25 14 7 4 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 85 85 d 1H J 37 | 76 76 s 1H | 73 73 ddd 1H J 15 38 86 | 72 72 ddd 1H J 15 36 90 | 72 71 m 2H | 58 57 d 2H J 70 | 46 45 p 1H J 45 | 39 38 ddd 1H J 44 57 123 | 39 38 s 3H | 38 38 t 1H J 57 | 38 37 m 3H | 37 36 ddd 1H J 46 58 124 | 34 33 ddd 2H J 58 85 123 | 23 22 dddd 2H J 44 59 86 130 | 21 20 dddd 2H J 45 58 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCCCCCl)c(=O)n(COCc2ccccc2)c1=O
ir: 2 5 11 7 13 9 10 4 3 5 3 3 1 2 1 1 1 1 1 2 3 3 4 2 2 5 2 1 2 2 4 3 1 2 1 3 3 5 3 17 4 0 1 1 1 0 1 3 7 6 3 2 14 17 9 6 2 11 3 0 5 4 2 2 2 4 2 7 5 8 5 2 7 15 2 2 3 4 3 1 7 2 2 1 6 3 16 30 11 16 4 6 1 3 3 1 1 1 2 1 1 3 4 2 2 3 3 1 1 1 2 2 2 9 6 2 2 3 4 3 1 1 2 7 2 2 2 5 2 2 0 1 1 1 2 16 2 2 1 1 0 1 2 8 0 1 2 0 0 3 5 7 7 22 1 2 1 0 1 1 0 1 4 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 2 2 2 3 2 2 1 3 3 8 4 2 3 14 4 2 4 3 5 11 18 100 23 2 3 2 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 p 1H J 16 | 74 73 m 5H | 60 59 ddt 1H J 10 19 51 | 54 54 s 2H | 48 47 t 1H J 45 | 47 46 t 2H J 8 | 43 42 td 1H J 9 51 | 42 42 d 1H J 55 | 42 41 m 1H | 40 39 dtt 1H J 11 40 71 | 38 37 dtd 1H J 18 43 121 | 36 35 m 4H | 35 35 dt 1H J 68 112 | 19 18 m 2H | 18 18 d 3H J 17 | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N)ccc1CNC(=O)OC(C)(C)C
ir: 13 10 15 10 5 10 7 8 9 9 6 8 5 6 8 4 4 4 5 4 10 6 6 10 10 7 36 52 42 3 4 4 2 3 10 17 25 9 13 6 3 17 18 12 4 3 2 3 2 4 8 6 16 13 7 8 3 0 4 2 5 6 7 5 3 1 3 3 7 12 2 2 1 1 3 8 8 4 2 1 1 1 1 1 1 1 2 2 3 1 1 2 2 4 3 3 4 2 6 5 3 1 1 1 1 2 1 2 3 6 3 1 1 2 2 2 1 5 8 10 8 5 7 5 5 5 7 9 5 8 11 11 3 3 4 4 6 46 71 10 8 4 2 38 32 17 24 20 41 100 85 20 72 60 5 7 3 6 10 27 8 3 1 1 1 0 1 2 1 0 1 2 1 1 1 2 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 3 2 2 1 1 1 1 1 3 4 4 20 22 11 8 18 11 5 4 5 3 3 2 1 2 1 3 2 3 2 3 3 2 42 29 6 2 11 10 17 23 16 4 6 8 49 51 9 12 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dt 1H J 9 75 | 64 63 d 1H J 73 | 58 58 t 1H J 67 | 49 49 s 2H | 48 47 dd 2H J 9 66 | 24 23 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)(C#N)C1CC1
ir: 3 4 7 4 2 4 5 4 2 4 7 5 3 5 5 4 3 4 6 4 3 5 6 4 4 5 5 4 4 6 5 4 4 6 5 4 6 7 16 31 5 10 11 11 4 6 6 5 5 9 5 7 11 12 22 31 68 72 23 0 10 11 8 7 9 13 36 14 8 8 6 7 6 6 4 3 5 6 5 3 5 5 5 8 20 22 18 4 13 14 5 4 8 8 6 11 8 8 5 7 5 5 5 12 14 6 5 10 17 9 3 5 6 4 2 4 5 4 5 8 6 5 4 5 7 5 5 13 11 13 9 24 36 58 22 8 5 5 5 6 6 4 4 5 6 4 5 10 9 4 6 8 5 5 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 7 5 3 4 5 3 3 4 5 3 3 4 4 3 3 5 5 3 3 4 4 3 3 5 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 2 4 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 4 4 5 4 3 5 6 5 3 6 14 7 8 8 6 12 18 6 7 8 6 4 5 4 4 6 5 5 4 8 21 14 14 11 8 9 6 14 85 100 26 6 6 5 4 4 5 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 4 5 5 5 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4; 1HNMR: 18 18 s 2H | 17 17 pq 1H J 16 59 | 15 15 d 3H J 14 | 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(N1CCOCC1)N1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
ir: 1 2 2 3 3 5 1 4 1 2 1 2 1 1 1 2 2 5 5 5 5 4 3 2 1 2 2 2 1 2 3 1 4 4 6 6 4 11 7 7 2 1 1 4 6 1 2 2 2 4 3 5 6 2 4 3 4 3 13 1 2 1 1 3 4 5 3 11 10 2 4 2 10 6 4 3 2 1 3 1 1 3 6 2 2 5 3 4 4 8 15 8 5 4 5 4 14 5 2 6 5 3 7 6 4 1 1 2 3 7 3 5 10 10 7 3 6 2 3 5 8 8 4 11 9 3 4 2 6 5 4 2 2 5 4 2 2 2 1 4 6 5 3 6 1 1 1 1 2 5 6 100 10 4 11 6 1 0 0 1 0 1 6 5 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 2 8 2 4 1 1 1 3 10 15 12 13 11 7 5 2 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 69 dt 1H J 10 86 | 68 67 dd 1H J 22 84 | 66 66 m 1H | 45 44 p 1H J 45 | 37 36 ddd 2H J 60 88 123 | 36 35 m 4H | 34 33 ddd 2H J 60 88 123 | 30 30 m 4H | 30 29 m 1H | 29 28 m 8H | 23 22 dddd 2H J 46 60 88 133 | 21 20 dddd 2H J 44 59 86 131 | 18 17 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N(C)CCNCC(=O)OC(C)(C)C
ir: 2 4 2 4 5 4 2 2 2 3 2 2 1 1 1 5 2 2 2 2 2 1 0 4 3 18 4 3 1 1 0 1 1 1 2 1 2 2 4 3 3 6 2 3 5 3 3 3 4 9 12 14 8 3 3 4 5 11 20 4 4 9 5 2 3 4 4 6 10 12 13 5 2 1 2 2 1 1 1 2 1 1 2 1 1 1 4 4 1 0 1 1 1 1 1 3 6 6 4 7 2 3 2 3 2 4 7 10 14 41 13 28 7 4 15 4 6 5 5 17 7 9 5 3 8 8 10 10 4 16 20 22 21 8 7 9 2 2 4 1 1 2 2 2 4 11 66 43 10 4 3 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 2 4 2 1 2 3 3 1 2 1 2 2 5 7 15 12 9 3 2 1 1 2 1 0 1 2 1 0 1 1 1 1 3 3 2 7 17 70 100 35 7 3 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 37 36 p 1H J 51 | 35 34 m 5H | 30 29 td 2H J 48 58 | 30 29 s 3H | 21 20 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CC[C@@H](c2ccc(-c3cnc(-c4ccc(F)c(F)c4)nc3)cc2)CC1
ir: 2 1 3 1 1 2 2 1 0 1 2 1 2 2 3 1 3 10 6 2 4 12 3 2 1 1 1 2 7 32 2 0 2 2 5 1 9 21 100 10 4 4 2 1 4 3 2 1 1 2 3 2 3 17 7 13 4 4 22 4 6 3 1 0 2 3 3 2 4 16 7 1 1 2 3 4 2 2 2 0 1 1 1 1 1 1 1 1 4 4 1 6 6 3 1 1 2 3 10 3 2 2 1 6 18 4 1 2 4 6 1 2 3 2 2 3 5 10 13 5 4 10 6 6 9 4 7 19 33 10 1 2 3 1 1 2 2 2 0 2 3 1 3 51 32 8 4 2 4 23 26 5 7 1 2 3 4 3 59 4 1 0 2 3 10 2 2 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 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 4 3 3 2 3 3 4 3 3 18 17 37 77 41 8 4 1 4 3 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 s 2H | 77 77 ddd 1H J 21 38 100 | 77 76 ddd 1H J 21 35 121 | 76 75 m 2H | 73 73 m 2H | 73 72 td 1H J 47 101 | 26 25 m 1H | 18 17 ddddd 2H J 44 51 79 88 132 | 16 15 m 1H | 15 15 m 2H | 15 14 m 1H | 15 14 m 1H | 14 13 m 1H | 13 12 dtd 2H J 51 77 128 | 12 11 m 1H | 9 8 td 3H J 16 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1ccccc1N
ir: 6 3 1 3 4 3 1 6 17 10 23 8 3 6 11 6 17 19 43 12 48 25 9 20 42 11 26 5 34 19 34 12 9 4 3 3 1 2 3 7 52 53 53 15 9 11 9 6 16 11 5 6 3 2 2 3 4 1 2 12 7 3 3 2 2 0 1 2 1 2 3 2 2 8 16 5 7 8 4 4 2 12 4 2 2 3 7 16 37 3 2 3 1 1 4 2 3 1 1 1 1 2 3 2 1 1 1 1 1 1 23 9 1 5 3 2 2 4 7 3 3 4 4 2 0 2 5 7 1 2 3 1 1 2 2 1 10 2 2 8 3 38 17 5 4 79 11 27 27 9 3 83 21 26 24 14 16 52 19 9 4 14 89 6 2 1 1 2 1 0 0 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 2 1 1 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 1 1 2 1 2 2 1 2 1 2 8 11 5 21 26 17 10 2 2 1 2 2 1 1 1 1 1 2 2 4 2 4 33 100 7 8 14 15 37 10 23 13 16 18 22 87 73 19 7 1 1 2 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 16 80 | 72 71 td 1H J 15 76 | 69 69 t 1H J 41 | 67 66 td 1H J 15 79 | 66 66 dd 1H J 14 79 | 64 64 s 2H | 34 33 qd 2H J 42 62 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1F)C(N)=O
ir: 0 1 3 2 1 2 2 3 7 6 3 2 3 10 7 8 30 14 10 3 2 2 5 4 5 5 5 3 8 9 7 14 15 40 22 25 5 10 3 3 5 7 10 11 13 14 4 5 3 2 2 1 1 3 2 2 3 5 1 0 2 4 1 0 3 6 5 14 8 2 8 4 3 2 3 2 4 4 3 5 4 3 4 1 2 2 1 4 13 3 2 1 3 3 1 2 3 2 5 3 3 3 2 3 3 2 0 1 3 2 6 4 6 2 1 2 4 2 5 4 4 5 3 3 3 4 1 2 2 2 0 1 2 1 1 4 38 4 2 7 10 10 24 67 4 2 4 14 4 3 13 10 41 21 15 11 9 43 100 30 9 2 19 2 2 1 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 0 1 1 1 0 1 1 0 0 1 1 0 0 2 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 2 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 2 1 0 1 2 1 1 1 2 2 2 3 3 3 3 7 9 32 74 27 9 6 1 2 2 2 1 1 2 1 1 3 4 5 5 49 49 20 4 4 6 7 18 16 31 16 4 6 17 18 20 5 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 1H J 51 82 | 76 76 d 1H J 79 | 74 73 m 1H | 73 72 ddt 1H J 11 19 75 | 71 70 m 2H | 68 68 dd 1H J 22 121 | 68 67 s 2H | 67 67 dd 1H J 21 81 | 51 51 t 2H J 9 | 44 43 dq 1H J 57 79 | 13 13 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1cnc2c(Cl)ncc(F)c2c1
ir: 3 1 0 1 3 2 3 6 4 1 0 2 3 1 1 3 3 2 1 3 3 1 1 3 7 3 2 8 14 7 4 3 3 1 1 3 2 3 2 2 2 0 1 3 2 0 1 3 2 0 1 6 5 0 1 3 1 0 2 4 1 0 1 3 1 0 2 4 5 6 4 6 5 3 3 3 3 5 6 3 1 1 2 2 1 1 4 3 1 1 2 2 1 1 2 3 2 3 2 2 1 2 3 6 13 3 2 2 1 1 2 1 0 2 3 7 7 2 2 2 2 20 100 4 7 14 5 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 2 4 2 0 1 2 2 1 2 2 2 0 1 2 1 0 2 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 3 2 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 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 4 9 4 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0; 1HNMR: 83 82 dd 2H J 61 79 | 80 80 dd 1H J 17 35 | 49 48 q 2H J 25 | 19 18 t 3H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2cc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cs2)CCOCC1
ir: 3 7 4 3 5 5 9 27 4 4 3 11 5 4 6 5 2 2 3 1 4 4 15 53 22 19 9 2 2 7 18 6 2 1 4 5 8 18 16 83 33 100 35 10 11 7 6 7 6 2 5 3 5 17 8 9 18 14 10 8 7 6 34 9 5 8 10 9 4 5 6 12 15 35 21 56 9 4 3 2 2 3 2 2 2 8 11 4 3 2 4 3 13 6 12 10 2 3 6 9 5 6 13 11 12 2 5 8 5 20 12 61 5 29 17 48 7 65 68 44 34 19 9 14 19 30 54 23 65 58 27 21 10 28 10 12 7 6 15 6 8 8 35 15 8 5 4 3 2 4 3 7 33 89 12 1 1 2 5 10 5 3 0 0 1 1 1 0 1 1 0 0 0 2 1 0 0 1 1 9 7 1 1 0 1 2 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 3 2 1 1 1 2 1 2 4 3 5 13 8 15 3 12 7 3 6 6 55 47 8 18 15 28 75 37 35 16 5 3 3 2 2 1 2 1 2 2 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 16 | 72 72 d 1H J 16 | 39 38 ddd 2H J 30 58 108 | 38 37 ddd 2H J 30 58 110 | 37 36 m 2H | 36 35 ddd 1H J 37 65 122 | 25 24 ddd 2H J 30 58 134 | 22 22 ddd 2H J 29 57 134 | 19 13 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CCC)OC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C
ir: 4 5 11 3 7 10 4 4 3 1 1 1 1 1 1 1 2 2 4 4 4 3 3 7 7 4 3 6 7 9 17 12 13 15 23 13 4 7 4 1 3 3 6 2 2 1 1 2 3 9 22 5 4 3 3 0 1 3 3 5 5 3 2 3 7 9 7 18 33 16 8 25 5 21 8 7 4 4 5 5 8 5 1 1 1 1 0 0 1 1 1 1 2 2 7 2 2 10 4 13 4 10 2 1 2 4 4 2 6 5 1 5 4 6 7 9 6 6 5 7 2 5 1 3 2 1 1 2 3 1 2 2 1 1 1 2 2 8 19 2 1 1 2 3 11 8 3 12 14 19 9 7 11 100 22 21 29 4 3 24 2 1 2 7 3 2 3 6 0 1 0 1 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 0 1 0 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 5 1 2 2 2 7 2 2 3 1 3 3 7 4 12 9 12 59 20 26 4 1 2 1 1 1 1 2 1 1 1 3 1 1 1 0 1 1 2 2 11 73 59 27 3 3 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 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; 1HNMR: 86 85 d 1H J 49 | 77 76 s 1H | 74 74 d 1H J 7 | 74 74 s 1H | 70 69 d 1H J 49 | 69 68 s 1H | 67 66 s 1H | 48 47 p 1H J 55 | 39 39 s 3H | 39 38 s 3H | 24 23 s 3H | 22 22 s 3H | 18 17 dtd 2H J 56 69 139 | 15 14 m 5H | 14 12 m 2H | 9 9 t 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/C=C(\CC)C(=O)OCC
ir: 2 6 7 5 6 2 2 5 1 3 6 6 18 7 2 3 2 3 1 3 3 3 1 2 4 5 5 12 27 5 11 11 7 6 10 47 43 23 26 8 15 6 5 9 3 3 3 2 4 6 4 5 4 2 3 2 1 2 3 1 2 3 3 4 6 3 1 4 1 5 8 5 4 4 3 5 8 6 15 11 3 2 2 1 1 1 0 1 1 1 0 1 2 4 2 2 2 2 1 2 2 2 1 1 3 16 3 8 7 6 1 9 11 22 11 9 16 15 33 24 8 20 25 28 16 19 11 6 3 10 8 3 6 5 13 14 11 9 7 27 18 6 3 2 2 3 5 9 21 18 3 1 0 1 2 2 3 4 5 3 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 3 5 5 4 5 5 4 6 16 50 44 100 27 13 0 4 4 2 1 2 1 1 1 1 1 1 0 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dq 1H J 13 85 | 65 64 ddq 1H J 13 84 154 | 60 59 dddt 1H J 12 52 63 144 | 55 53 m 8H | 43 42 q 2H J 71 | 27 27 m 4H | 26 25 ddt 3H J 12 38 75 | 25 25 dt 1H J 13 74 | 24 23 m 2H | 22 21 m 4H | 12 12 t 3H J 71 | 11 11 t 3H J 73 | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(N2CCNCC2)ccc1Cl
ir: 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 29 8 5 2 2 3 2 2 2 3 4 2 2 3 8 3 2 1 1 1 1 1 1 2 1 2 3 8 6 1 2 9 16 18 5 5 3 28 66 8 13 14 3 1 5 2 1 2 25 5 6 29 18 4 2 2 3 3 4 7 5 8 2 6 5 3 1 2 3 13 9 3 9 8 3 1 2 1 8 15 5 4 3 5 8 5 2 1 2 1 1 2 4 2 1 11 15 31 100 63 21 7 7 4 2 3 3 3 5 7 17 9 6 4 9 3 1 1 2 1 1 1 1 1 3 2 1 1 1 1 1 0 3 9 5 2 2 2 7 1 1 1 1 1 0 1 5 10 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 2 2 2 1 2 3 3 1 2 2 3 3 4 6 10 22 27 24 15 9 5 3 1 1 1 1 1 1 1 1 1 0 1 1 2 5 17 17 10 3 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 d 1H J 88 | 66 66 dd 1H J 22 88 | 64 63 d 1H J 22 | 46 45 hept 1H J 56 | 33 33 m 4H | 30 29 m 4H | 20 19 p 1H J 33 | 14 13 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2[nH]nc(-c3ccc(OCc4ccccn4)c(F)c3)c12
ir: 6 5 5 3 3 11 8 7 7 3 3 2 6 3 13 8 42 14 16 7 10 8 9 11 10 8 12 9 3 3 3 5 3 4 8 3 10 7 19 68 86 7 36 31 19 11 7 28 7 4 5 3 6 13 27 45 12 5 3 3 1 1 4 4 7 5 6 5 7 5 8 9 6 2 9 5 1 2 3 2 2 2 2 6 7 1 2 4 9 10 4 4 2 2 6 6 16 14 5 15 2 12 7 3 1 2 4 3 2 2 1 1 0 1 1 1 1 1 2 2 2 3 2 3 8 3 6 2 4 1 2 1 3 3 9 21 21 12 46 5 4 2 16 7 7 9 5 7 44 90 25 19 20 17 8 11 49 50 19 3 2 5 3 9 3 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 3 5 35 54 17 15 4 6 2 1 1 2 1 1 2 2 1 1 1 3 6 17 26 7 3 6 4 4 8 33 40 32 19 99 100 64 7 4 3 1 1 1 0 1 1 0 0 1 1 1 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dd 1H J 17 42 | 84 83 s 1H | 79 78 td 1H J 16 74 | 76 75 m 2H | 75 74 dd 1H J 22 121 | 74 73 ddd 1H J 15 42 73 | 71 71 dd 1H J 47 98 | 71 70 s 2H | 53 52 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc2c(c1)ncn2C1CCN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1
ir: 40 56 29 8 8 11 18 9 4 4 4 5 6 4 4 3 5 5 9 6 1 3 2 3 4 1 6 5 1 4 2 2 2 3 3 3 1 5 3 3 4 1 1 2 2 2 4 3 4 8 7 4 26 11 32 15 7 1 4 5 3 3 4 7 2 2 3 5 5 4 6 2 2 2 4 3 6 4 5 22 23 10 10 7 6 2 31 63 28 52 19 16 14 5 18 22 52 22 19 39 11 5 23 15 3 6 3 5 2 6 1 8 8 4 3 10 3 3 3 3 4 5 3 1 1 2 3 3 6 6 2 6 6 8 1 1 5 1 1 1 1 1 0 0 1 2 2 2 4 9 25 7 2 16 17 10 38 100 8 3 2 1 2 6 34 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 2 2 1 3 3 4 3 7 8 13 33 32 18 11 4 2 4 4 3 9 3 3 2 1 1 1 1 1 1 39 48 4 1 0 1 1 2 1 2 5 12 90 40 5 4 2 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 82 81 s 1H | 75 74 m 3H | 73 72 dq 2H J 10 70 | 68 67 m 2H | 54 53 s 2H | 43 43 m 1H | 36 35 t 2H J 9 | 32 32 hept 1H J 33 | 29 28 ddd 2H J 40 67 115 | 26 26 ddd 2H J 40 67 115 | 23 22 ddt 2H J 39 68 119 | 21 20 ddt 2H J 38 66 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc2nc(CCl)cc(=O)n12
ir: 1 1 2 2 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 3 5 3 3 6 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 3 2 5 12 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 6 3 3 2 3 2 1 1 1 1 1 1 1 1 3 3 4 3 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 2 1 0 1 100 52 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 3 2 5 4 3 2 1 6 6 5 3 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; 1HNMR: 64 63 t 1H J 13 | 58 57 q 1H J 15 | 45 45 d 2H J 13 | 23 22 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C[C@H]1O[C@H](c2cccc(OC)c2OC)c2cc(Cl)ccc2NC1=O
ir: 2 1 1 1 8 2 0 1 0 2 1 8 3 1 1 1 6 3 1 2 3 2 6 2 1 1 1 3 1 2 7 15 3 2 2 13 3 2 1 2 1 9 14 21 6 3 9 12 3 6 3 1 1 7 11 3 3 1 1 1 1 3 1 12 1 1 9 0 3 3 2 3 5 2 2 4 1 1 1 1 2 6 3 1 3 1 2 1 0 0 0 1 1 2 3 2 3 6 4 9 8 11 4 2 1 1 9 1 4 2 2 2 1 4 2 1 0 2 1 2 5 9 17 3 0 2 2 3 3 6 6 1 1 6 2 3 3 4 3 3 17 2 1 6 17 4 1 3 1 4 2 0 20 3 40 20 3 9 1 2 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 1 2 2 2 4 5 3 9 6 6 100 17 3 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 1 2 2 3 14 28 4 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 76 76 d 1H J 79 | 76 75 dd 1H J 7 22 | 73 72 dd 1H J 21 80 | 72 71 dt 1H J 9 81 | 70 70 t 1H J 80 | 69 68 dd 1H J 12 80 | 56 56 m 1H | 50 49 t 1H J 72 | 42 41 q 2H J 66 | 39 38 d 6H J 60 | 31 30 dd 1H J 72 177 | 29 28 dd 1H J 71 178 | 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.
COC(=O)c1cc(C)sc1N1C(=O)c2ccccc2C1=O
ir: 2 1 2 1 5 1 2 1 0 2 15 4 0 1 2 1 0 2 2 1 1 1 1 1 0 1 1 1 0 3 2 1 5 3 3 1 1 2 2 0 42 3 1 2 2 1 1 1 2 1 1 1 2 3 1 1 1 1 1 3 1 1 1 1 1 2 1 0 2 1 1 1 1 1 1 1 3 2 2 1 3 1 1 2 1 1 1 1 1 1 1 20 2 1 1 2 1 1 4 1 5 1 1 15 1 1 1 1 1 1 1 1 1 1 2 4 2 1 1 1 2 2 3 16 2 1 0 4 1 1 1 2 100 1 0 2 2 1 7 1 12 0 0 2 2 1 1 1 2 1 1 1 5 19 1 13 21 80 2 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 2 5 5 49 8 4 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 2H J 31 50 | 78 78 dd 2H J 31 51 | 74 73 s 1H | 39 38 s 2H | 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(CCCCl)NC[C@H](CO)NC(=O)OCc1ccccc1
ir: 4 6 1 8 3 5 3 3 2 3 2 2 1 1 2 1 2 1 2 2 3 3 2 3 2 4 3 15 35 11 9 10 10 15 6 7 4 6 14 11 8 7 3 6 2 3 2 2 2 4 4 3 3 4 1 1 1 2 2 2 1 2 1 1 1 4 5 2 3 3 2 2 2 1 2 1 1 2 1 2 2 4 1 1 2 4 6 20 24 13 8 9 4 3 10 5 4 3 3 1 3 2 5 5 4 4 1 5 3 5 4 5 4 5 8 4 3 3 3 5 6 5 2 5 2 3 2 2 3 4 5 3 3 1 2 3 2 1 1 2 2 3 18 29 46 52 20 12 16 100 5 1 1 2 2 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 3 2 2 2 2 2 3 2 2 3 8 13 6 5 30 10 5 2 2 7 5 6 17 8 4 2 1 1 1 1 1 2 2 3 2 4 29 24 24 26 20 5 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 4H J 41 | 73 73 ddd 1H J 37 49 83 | 70 69 t 1H J 63 | 58 58 d 1H J 88 | 51 51 s 2H | 39 38 t 1H J 52 | 38 37 dp 1H J 43 88 | 37 37 ddd 1H J 43 53 128 | 37 36 t 2H J 35 | 35 34 m 2H | 33 32 ddd 1H J 44 62 134 | 24 23 m 2H | 21 20 tt 2H J 36 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1c(NCCO)cc(NCCO)cc1NCCO
ir: 9 6 11 8 7 9 7 8 6 9 12 8 7 5 9 12 14 14 16 14 18 4 5 10 3 4 11 3 9 3 4 2 6 4 4 5 5 3 1 4 2 8 6 2 1 3 2 1 2 1 2 5 4 3 1 1 2 2 1 2 2 3 1 3 3 6 4 12 8 1 4 4 2 2 1 1 1 2 2 2 2 1 3 1 7 13 42 34 21 13 14 11 14 9 10 3 2 1 2 1 0 1 7 10 1 2 2 2 0 3 4 8 8 2 1 2 2 4 3 5 4 7 12 10 7 5 10 5 3 5 6 5 3 18 9 26 7 9 7 3 1 2 5 12 8 4 4 2 2 3 23 37 4 4 2 1 3 5 2 4 22 29 8 3 5 20 6 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 1 3 5 8 1 3 3 4 13 52 72 16 5 5 3 1 2 4 3 4 6 4 7 9 16 21 66 71 100 63 17 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 2H J 54 | 62 61 t 1H J 52 | 55 54 s 2H | 41 41 t 2H J 54 | 37 36 m 7H | 36 35 m 4H | 35 34 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1S(=O)(=O)NCCCn1ccnc1)c1cccc(C(F)(F)F)c1
ir: 2 5 4 3 3 4 13 8 16 34 12 33 21 14 7 4 2 10 3 0 0 1 4 1 1 2 1 0 2 2 3 8 14 7 26 7 4 3 10 3 8 6 10 6 1 5 2 5 10 11 2 11 2 2 2 1 1 1 1 0 1 1 1 1 1 6 10 10 17 14 24 28 14 2 1 0 1 1 3 2 0 21 9 3 5 3 26 7 10 100 9 0 1 3 4 10 9 3 15 9 3 1 1 21 2 2 1 11 21 11 7 8 13 11 2 3 6 6 3 3 2 1 1 1 1 2 2 6 5 2 1 1 2 3 1 7 7 5 2 2 2 12 6 2 2 6 8 8 6 8 5 2 1 1 1 3 1 0 1 19 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 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 4 1 1 1 1 1 2 2 3 10 2 9 18 42 15 4 3 2 1 0 1 1 1 1 0 1 1 0 0 1 1 4 11 12 5 14 11 2 2 1 1 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; 1HNMR: 83 82 m 1H | 82 81 m 1H | 79 79 dd 1H J 14 87 | 78 77 dd 1H J 14 81 | 77 77 m 3H | 76 75 td 1H J 13 77 | 74 73 ddd 1H J 13 75 88 | 73 72 ddd 1H J 9 17 38 | 70 69 dd 1H J 18 38 | 64 63 t 1H J 58 | 41 40 tt 2H J 8 61 | 31 30 q 2H J 57 | 20 19 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
ir: 5 8 4 7 3 4 6 7 10 6 1 9 33 28 18 3 6 3 1 1 2 1 2 10 3 2 3 4 3 2 15 18 29 30 57 14 3 9 4 2 3 5 3 3 4 6 20 89 74 29 6 2 8 7 9 1 2 5 2 2 8 19 43 37 13 11 17 43 9 10 8 4 12 7 11 6 31 4 4 3 9 4 13 17 5 2 3 2 1 2 10 10 3 6 5 10 5 54 64 54 62 23 16 3 3 3 1 2 9 3 11 23 29 65 15 13 6 4 3 52 29 8 15 10 6 5 18 10 5 6 4 2 2 3 4 4 9 24 25 3 47 53 29 12 31 40 30 44 12 4 9 64 3 15 3 2 10 9 7 7 3 2 3 3 3 0 2 3 2 0 2 3 1 0 2 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 2 4 3 3 4 4 3 3 11 12 21 25 38 82 96 100 88 60 17 8 4 4 4 5 2 2 2 2 2 2 2 2 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 88 88 dd 1H J 15 83 | 84 83 dd 1H J 13 82 | 83 83 s 1H | 82 82 t 1H J 22 | 78 78 ddd 1H J 14 22 104 | 78 77 dd 1H J 81 104 | 77 76 ddd 1H J 14 21 81 | 73 72 t 1H J 81 | 44 43 q 2H J 71 | 14 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(F)c1-c1nc(Nc2ccc(N3CCOCC3)cc2)c2[nH]ncc2n1
ir: 2 1 1 1 2 2 3 4 5 1 1 2 0 3 1 3 2 1 4 3 1 1 2 1 2 2 6 7 17 7 2 2 4 4 6 1 1 2 2 4 3 3 1 1 1 7 7 5 2 1 3 9 10 8 4 6 6 4 4 5 1 1 0 1 1 1 2 6 0 3 2 3 11 3 2 1 1 1 1 2 1 1 1 0 1 9 1 2 1 1 2 2 1 1 2 1 3 2 3 2 3 2 1 2 6 5 1 2 2 1 9 13 2 2 1 2 1 1 1 1 4 0 1 0 0 1 1 1 0 0 0 0 1 2 13 10 6 5 3 2 2 15 9 9 1 2 2 2 6 11 5 3 13 57 12 2 5 100 16 5 3 1 1 0 9 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 2 5 20 18 10 6 3 3 2 2 1 0 0 0 1 0 0 0 1 1 1 1 1 3 2 1 2 17 29 51 30 7 6 1 2 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; 1HNMR: 86 86 s 1H | 84 84 s 1H | 75 74 m 3H | 73 73 m 2H | 69 69 m 2H | 39 38 m 4H | 32 32 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)[C@@H]1CC[C@@H](C)CC1)C1CCNCC1
ir: 0 1 3 2 2 2 4 2 3 4 3 2 2 6 5 6 2 13 4 2 4 1 4 16 10 3 1 5 2 1 5 2 4 2 7 18 14 4 2 1 2 8 4 3 6 6 4 2 5 2 3 3 3 9 8 8 6 3 1 3 6 5 6 2 3 2 3 1 5 2 4 2 5 4 8 0 10 1 1 3 1 1 1 1 0 1 0 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 3 14 4 2 11 5 3 8 15 4 19 24 22 19 17 16 9 7 14 3 4 7 11 6 37 15 10 5 6 1 4 3 1 2 1 2 6 7 4 2 1 2 2 2 18 6 1 4 1 2 2 15 9 3 0 1 1 1 10 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 2 2 3 3 3 3 2 4 2 2 5 3 7 9 5 19 6 3 18 6 2 0 1 1 1 0 1 1 2 2 2 3 2 6 3 8 100 11 16 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 61 60 tq 1H J 9 40 | 43 42 p 1H J 62 | 40 39 s 2H | 36 35 p 1H J 42 | 30 30 dddd 2H J 29 42 55 134 | 29 28 dddd 2H J 29 42 55 134 | 27 27 ddq 2H J 10 55 64 | 25 24 tt 1H J 47 72 | 22 21 dddd 2H J 11 35 57 71 | 21 20 m 2H | 19 16 m 10H | 16 14 m 5H | 10 9 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(Cl)c2c1)C(=O)OC(C)(C)C
ir: 14 3 11 6 6 3 5 9 3 6 24 4 5 2 2 3 3 36 12 4 13 9 1 2 1 1 2 3 3 11 2 0 1 1 1 1 1 1 2 2 2 4 4 10 34 6 2 4 6 8 18 6 7 9 9 21 50 8 52 25 6 9 1 2 8 23 19 72 24 16 29 3 4 4 4 4 5 2 3 9 4 3 6 3 29 13 6 4 3 18 7 2 7 5 100 8 6 2 7 9 20 33 25 37 20 13 16 19 68 15 4 5 3 8 3 1 4 79 9 7 5 13 24 51 57 9 7 10 5 25 12 5 6 2 1 2 2 1 4 5 2 1 1 2 2 6 7 5 12 6 5 6 3 1 1 2 7 8 3 1 1 1 0 1 1 2 7 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 2 2 3 1 1 1 1 1 1 2 1 5 3 3 12 23 8 16 33 56 7 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 9 75 12 3 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 88 d 1H J 22 | 85 85 s 1H | 84 84 d 1H J 94 | 81 80 dd 1H J 22 92 | 72 71 d 1H J 110 | 37 37 dddt 1H J 16 29 73 105 | 21 20 dp 1H J 64 74 | 14 14 s 8H | 10 9 dd 3H J 15 64 | 9 9 dd 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc3nc(N)nc(OC(C)C)c3c2)cc1OC
ir: 2 5 8 7 5 7 2 6 8 2 5 8 6 6 4 7 14 9 4 5 13 6 6 8 14 8 10 7 4 8 4 20 12 1 6 8 7 5 2 4 4 4 2 6 4 3 4 6 38 13 18 9 4 1 44 9 11 27 13 6 3 5 5 6 10 8 13 15 7 2 4 8 13 6 5 3 4 6 5 3 2 1 2 4 3 2 2 2 2 1 2 1 1 1 1 2 2 2 2 1 1 1 2 2 1 1 1 2 1 2 2 2 2 2 3 4 6 6 6 6 4 6 7 4 2 2 3 6 4 3 2 3 2 2 3 4 4 4 3 7 16 18 15 59 60 57 40 31 23 21 18 20 25 65 36 7 7 6 4 1 2 5 8 4 2 5 7 12 5 5 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 4 3 3 6 8 14 24 31 8 8 5 3 2 2 2 1 1 2 3 2 5 3 5 3 8 24 8 1 2 4 4 2 1 2 3 4 9 100 5 5 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 83 83 d 1H J 25 | 80 80 d 1H J 81 | 78 78 dd 1H J 25 80 | 72 72 d 1H J 17 | 72 71 dd 1H J 17 85 | 69 69 d 1H J 84 | 64 64 s 2H | 52 51 dt 1H J 61 122 | 39 38 d 6H J 22 | 14 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCNc1ccc(Cl)c(Cl)c1
ir: 17 16 15 41 32 57 17 24 52 13 20 16 13 7 12 10 14 5 11 10 9 5 2 6 6 2 2 9 15 12 7 7 7 4 2 7 5 12 14 8 5 3 3 9 6 1 3 7 5 1 4 7 6 13 27 15 5 4 4 9 5 2 5 12 4 6 12 16 16 3 8 13 5 2 5 6 2 1 5 6 3 1 6 6 1 1 6 5 2 2 6 8 8 18 8 11 7 6 10 5 1 5 7 6 10 10 53 37 3 6 13 24 27 6 8 10 3 6 12 13 22 14 20 25 5 7 11 12 12 14 22 15 6 8 9 3 8 14 13 19 46 54 33 5 34 26 8 4 12 35 40 12 6 32 23 6 4 7 5 1 4 13 100 7 4 6 3 1 3 6 3 0 3 6 3 0 4 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 1 5 5 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 0 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 6 2 3 6 5 2 3 6 5 2 5 8 8 4 6 9 5 4 6 9 7 5 6 27 36 20 13 85 40 17 9 7 11 6 6 6 4 2 5 5 3 3 5 5 4 6 9 13 14 36 59 57 34 25 29 12 4 4 5 7 3 3 9 5 2 4 9 6 2 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 73 72 d 1H J 81 | 69 68 d 1H J 21 | 67 66 dd 1H J 21 80 | 61 60 t 1H J 48 | 34 34 td 2H J 47 54 | 26 26 t 2H J 54 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(=O)NC2CC2)ccc1N1CCC(CCN2CCCCC2)CC1
ir: 6 5 3 5 4 5 15 6 3 2 2 4 5 8 6 4 6 5 3 4 4 3 2 4 3 2 3 1 1 1 2 4 1 2 4 8 15 27 4 4 19 57 18 7 2 1 3 3 1 3 2 1 2 1 4 3 2 0 1 3 1 1 3 2 2 3 4 8 3 2 2 1 2 2 1 1 1 1 2 2 15 6 2 3 1 7 8 4 2 3 1 7 4 3 3 1 2 5 7 3 4 4 2 3 2 4 3 2 2 4 2 2 0 1 2 1 1 3 2 2 1 2 1 1 1 1 1 1 1 2 3 2 2 2 1 3 5 23 13 3 2 2 2 1 1 5 3 3 6 24 5 8 16 11 9 1 8 28 5 1 1 3 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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 1 1 2 2 2 2 1 3 5 4 4 11 8 7 1 5 2 1 1 2 0 0 1 1 0 0 1 2 1 0 62 2 3 3 9 10 4 2 2 2 1 4 100 5 3 3 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 75 dd 1H J 21 78 | 72 72 m 2H | 71 70 d 1H J 78 | 49 49 s 1H | 34 33 m 2H | 33 32 m 2H | 31 30 dp 1H J 47 73 | 26 25 m 6H | 19 18 m 2H | 17 16 m 8H | 15 14 m 4H | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CCN(Cc2cc3nc(-c4cccc5cnccc45)nc(N4CCOCC4)c3s2)CC1
ir: 2 1 1 2 5 2 2 2 2 1 1 2 5 4 3 3 4 3 1 2 2 7 8 1 2 2 1 2 3 3 5 3 3 1 1 1 3 1 3 8 16 7 3 2 6 7 9 3 4 9 9 4 3 1 2 2 3 2 1 1 1 1 1 1 2 2 2 3 3 3 2 6 6 8 5 3 2 2 4 4 12 9 3 3 2 2 5 9 10 6 3 3 4 2 1 3 6 3 4 8 4 2 2 1 2 3 2 3 1 1 2 7 14 3 1 1 1 1 4 1 1 2 2 4 1 2 1 2 1 1 1 2 2 3 1 2 4 6 6 6 2 4 3 4 15 20 4 3 4 5 9 100 3 3 5 19 3 4 3 9 3 1 1 1 1 0 19 4 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 2 1 1 1 2 1 1 2 1 5 4 10 10 13 6 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 t 1H J 17 | 87 87 dd 1H J 15 46 | 82 81 d 1H J 95 | 80 80 dd 1H J 20 86 | 77 76 m 2H | 71 71 d 1H J 9 | 39 38 m 6H | 37 36 m 4H | 29 28 ttq 1H J 15 46 77 | 28 27 ddd 2H J 49 77 124 | 25 24 ddd 2H J 49 77 119 | 23 22 d 6H J 16 | 20 19 dddd 2H J 49 62 77 114 | 17 16 dddd 2H J 50 62 77 114
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(c2ccccc2)(c2ccccc2)N2CCNc3ccccc3C2)cc1
ir: 2 5 6 4 8 5 14 10 5 5 3 2 5 3 9 2 5 4 1 2 3 2 1 1 1 1 2 4 2 1 2 12 5 0 33 3 11 6 4 13 12 62 28 16 1 4 3 0 2 3 3 1 4 2 1 1 1 2 1 1 1 2 3 2 1 1 2 2 2 8 7 16 7 2 3 2 2 5 13 3 3 2 3 5 5 1 1 1 2 7 1 4 2 2 3 1 7 4 5 2 4 6 4 2 2 2 1 1 3 5 2 6 2 7 5 5 2 2 2 1 2 2 1 5 3 5 2 4 2 2 3 2 6 5 13 40 69 4 4 3 6 42 20 28 21 24 5 4 2 1 32 1 2 11 1 3 2 1 1 4 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 5 6 25 32 100 70 27 5 4 2 3 1 2 2 4 2 1 1 1 1 1 1 1 1 2 2 3 46 31 13 4 4 3 2 3 2 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; 1HNMR: 74 72 m 15H | 72 71 m 2H | 69 68 ddd 1H J 14 74 86 | 67 67 dd 1H J 13 79 | 40 40 d 2H J 8 | 38 38 t 1H J 37 | 36 36 td 2H J 37 51 | 30 29 t 2H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3)o2)S1
ir: 3 3 6 3 4 6 4 6 8 5 4 9 8 12 17 10 16 22 14 23 48 34 55 33 18 9 7 13 11 16 32 25 8 5 4 4 4 2 2 3 3 2 3 6 17 23 25 87 52 40 10 11 5 3 3 6 10 13 31 25 6 4 3 2 2 4 5 8 15 6 6 7 3 5 10 13 24 57 73 19 6 5 13 11 7 8 7 7 6 4 5 5 2 2 4 3 1 2 4 3 2 2 3 8 10 14 17 14 2 3 6 4 8 31 8 9 8 9 16 7 7 3 4 3 1 14 21 55 13 7 3 4 4 7 5 2 2 5 10 34 41 16 9 18 23 100 52 10 7 6 13 43 9 7 5 2 5 26 64 41 23 39 13 3 3 4 3 1 3 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 3 2 3 3 4 4 7 7 16 29 30 38 34 40 30 24 14 5 5 16 75 95 45 5 3 2 3 3 2 2 3 6 6 6 10 24 15 19 6 4 2 2 2 2 1 3 6 4 4 4 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 96 95 s 1H | 84 84 t 1H J 22 | 80 80 ddd 1H J 11 22 81 | 78 78 ddd 1H J 11 22 93 | 75 75 dd 1H J 80 93 | 75 75 d 1H J 55 | 74 74 s 1H | 72 71 d 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1nnc(-c2cnc(N3CCC(c4ccc(Cl)cc4)CC3)s2)n1
ir: 25 8 7 8 8 7 4 14 14 32 66 17 13 11 10 10 10 3 4 5 3 8 16 9 5 5 2 5 3 14 31 7 7 7 2 5 6 6 4 4 3 3 9 30 17 12 8 15 7 7 4 8 11 12 66 16 18 20 8 12 29 6 13 13 8 14 16 4 16 13 7 6 11 4 37 27 5 6 2 1 2 3 2 22 26 23 11 29 14 8 3 8 12 24 16 13 11 13 11 31 13 11 7 5 15 29 19 70 20 5 15 12 10 16 5 10 5 6 6 8 7 19 15 18 12 14 9 10 10 16 8 7 5 7 7 20 39 15 4 2 4 9 10 40 37 16 30 72 39 36 26 5 25 8 2 1 2 3 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 2 4 5 3 4 9 5 5 5 8 10 8 4 6 23 27 41 49 100 28 22 11 10 8 10 3 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H | 73 72 m 2H | 72 71 m 2H | 51 51 s 2H | 43 42 q 2H J 66 | 38 38 ddd 2H J 54 81 136 | 36 35 ddd 2H J 55 82 135 | 28 27 m 1H | 23 22 ddt 2H J 54 82 129 | 20 19 ddt 2H J 54 82 128 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2c(c1=O)OCC2
ir: 14 6 3 10 9 5 5 4 23 4 1 2 6 2 3 4 1 1 1 2 8 2 2 3 3 1 0 1 12 1 1 10 2 1 1 2 3 0 1 2 1 0 1 2 1 0 2 13 100 14 9 13 3 2 1 2 3 4 1 1 1 3 1 1 2 21 11 19 29 7 9 17 16 5 3 13 6 0 2 7 2 3 7 2 0 1 1 1 0 1 1 1 1 1 1 1 9 0 9 7 25 1 1 1 0 1 3 2 1 2 7 32 21 1 1 6 7 6 51 5 3 4 7 5 11 2 5 11 5 3 4 4 1 1 9 1 1 1 2 1 5 8 1 1 4 1 1 0 2 23 2 1 5 1 1 3 1 2 7 4 1 0 6 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 13 7 12 10 14 73 21 10 4 3 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 79 78 t 1H J 22 | 78 77 ddd 1H J 12 21 64 | 76 75 dd 1H J 64 106 | 75 74 ddd 1H J 11 22 106 | 41 40 t 2H J 38 | 30 30 t 2H J 38 | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1cccc(-c2cc(NC(=O)CCN(C)C)c(OC)c3[nH]c4ncc(C)cc4c23)c1
ir: 7 5 12 7 1 7 7 4 3 4 3 8 4 6 5 2 1 2 5 6 2 5 3 1 4 7 3 2 2 3 9 7 4 4 11 6 5 9 34 10 7 9 5 7 7 7 10 53 17 8 3 5 3 4 11 1 3 4 2 2 2 5 2 5 7 22 6 15 9 12 7 3 5 5 6 2 2 3 7 11 6 3 3 2 13 6 7 11 9 9 21 4 5 2 2 1 2 5 7 9 18 6 3 1 2 12 7 2 5 2 2 3 3 1 0 2 5 5 3 4 4 4 9 7 11 3 2 12 7 3 1 3 5 9 2 3 4 2 100 5 4 2 1 2 2 2 6 48 4 3 1 4 3 4 5 22 13 5 3 26 5 4 2 6 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 2 3 3 2 3 1 2 3 2 7 8 5 10 18 26 7 4 2 3 2 1 1 2 2 1 1 2 2 1 2 2 2 3 3 5 5 12 12 20 29 23 12 5 1 2 1 2 2 1 1 2 1 1 1 1 1 1 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 1 1 1 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 2; 1HNMR: 99 99 s 1H | 93 93 s 1H | 83 83 m 1H | 83 82 t 1H J 22 | 79 79 s 1H | 79 78 ddd 1H J 14 22 81 | 78 78 m 1H | 76 75 m 2H | 40 39 s 3H | 34 33 q 2H J 92 | 28 27 t 2H J 57 | 26 25 t 2H J 58 | 25 25 d 3H J 8 | 23 23 s 5H | 13 12 t 3H J 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cc2ccccc2)cc(Br)c1O
ir: 15 2 3 3 6 8 3 1 0 1 2 2 1 1 2 1 2 1 1 1 2 1 1 0 1 1 1 1 2 3 3 12 1 7 5 9 5 19 21 6 14 10 5 0 2 3 2 1 1 2 1 3 3 2 3 1 1 0 2 2 2 8 3 2 7 20 9 5 24 13 4 4 3 1 2 0 3 12 8 6 3 4 33 29 6 0 2 3 9 14 14 6 3 2 2 2 1 2 5 5 1 1 2 1 1 6 8 2 1 0 0 0 0 0 0 1 1 2 1 1 2 1 1 2 7 2 1 1 2 2 5 3 2 3 13 31 30 9 4 1 1 8 24 13 7 2 6 11 1 1 1 4 3 2 1 1 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 2 0 2 2 1 7 12 13 27 100 36 36 10 3 1 4 4 35 26 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 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 72 m 3H | 71 71 dt 1H J 10 19 | 71 70 dd 1H J 12 22 | 54 53 s 1H | 40 40 p 2H J 8 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(CCO)CC(=O)NCCCCCCNC(=O)CC(C)(O)CCO
ir: 4 5 8 9 4 4 5 5 7 6 9 13 11 13 3 19 22 7 45 19 21 9 11 16 15 9 27 12 7 16 11 23 5 4 6 4 5 7 2 5 5 1 3 2 2 3 1 2 5 7 8 7 2 1 3 3 4 4 2 1 2 1 5 5 5 1 3 2 3 0 2 2 1 2 2 2 3 2 3 5 13 7 8 7 3 5 7 8 18 14 13 14 14 29 76 10 11 15 10 12 8 20 10 6 6 3 10 5 14 11 12 8 3 7 5 3 2 5 3 7 4 6 5 5 4 2 3 3 2 3 7 7 1 3 5 3 4 1 2 1 2 1 3 12 8 13 34 13 20 2 2 1 1 2 1 1 1 1 1 1 1 1 1 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 0 1 0 0 0 1 0 0 0 0 0 0 1 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 1 1 1 1 2 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 0 1 1 1 1 1 1 2 1 2 3 2 4 4 3 4 5 2 2 4 3 3 6 17 12 4 2 3 10 9 61 76 100 54 56 29 7 5 6 1 1 1 2 2 2 3 4 5 23 20 19 12 6 3 3 2 2 2 2 1 2 1 2 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 68 68 t 2H J 44 | 53 53 s 2H | 38 37 dtd 2H J 55 64 119 | 37 36 dtd 2H J 55 63 117 | 35 35 t 2H J 55 | 31 31 td 4H J 44 56 | 26 25 d 2H J 178 | 23 22 d 2H J 176 | 20 19 dt 2H J 64 147 | 17 16 dt 2H J 64 146 | 16 15 ddt 4H J 54 73 80 | 14 13 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c([N+](=O)[O-])c(N)n1
ir: 7 10 8 5 3 11 7 8 3 5 8 7 16 18 27 18 8 15 17 11 27 47 25 29 6 7 5 4 5 6 5 6 4 6 5 1 7 12 26 70 19 10 13 5 10 7 5 4 4 4 5 5 3 3 4 0 3 4 3 3 5 6 6 2 8 3 7 1 7 8 5 7 6 10 9 11 6 5 6 7 3 3 5 8 3 3 2 1 2 3 1 1 2 2 2 2 3 3 1 10 7 4 2 2 4 4 5 5 4 2 3 2 4 3 1 3 8 10 12 6 9 11 5 3 5 3 3 3 9 4 3 3 5 4 9 7 5 3 5 4 4 5 6 5 14 39 29 16 53 32 95 100 49 30 24 12 16 27 57 75 34 4 8 3 2 1 2 4 2 1 2 3 2 2 3 4 2 1 2 3 2 1 2 3 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 2 2 2 3 3 3 3 3 5 3 4 3 4 4 3 7 6 5 5 9 7 9 9 9 7 4 1 4 3 4 4 3 3 2 1 3 5 5 3 10 52 73 19 5 7 3 3 4 3 3 5 28 70 62 82 7 6 1 2 4 2 1 1 2 2 1 2 2 2 1 1 2 1 2 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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: 67 67 s 2H | 66 66 d 1H J 9 | 24 24 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc2c(c1)C13CC2c2ccccc2C1CN(CC1CCCC1)C3
ir: 24 8 29 21 22 9 6 8 5 6 6 5 5 5 9 6 18 5 5 5 6 4 6 6 6 6 5 4 6 4 4 4 7 4 5 4 5 7 5 5 5 17 20 13 5 5 5 6 4 3 10 5 5 11 8 14 5 8 4 4 5 6 4 5 9 8 15 10 5 6 4 4 5 5 4 4 4 6 27 40 5 4 4 10 5 6 6 10 11 11 7 8 7 7 10 13 10 5 7 5 5 4 5 4 6 5 13 12 9 8 5 6 7 5 4 4 4 5 4 4 4 4 4 5 4 4 5 5 4 4 6 4 3 4 4 7 6 8 3 4 5 6 12 4 4 3 3 4 6 8 6 5 6 13 6 20 46 8 5 4 4 3 18 44 4 5 4 3 4 4 4 3 3 4 3 3 4 4 3 3 3 3 3 3 3 4 3 3 4 4 3 3 3 4 5 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 4 4 3 4 3 4 4 4 3 4 4 4 4 5 4 4 6 5 5 4 4 8 8 5 6 17 8 27 52 17 11 6 3 5 5 4 4 3 4 4 4 4 3 4 4 3 18 63 3 5 6 2 2 6 6 1 0 15 100 61 12 0 2 7 4 1 3 5 4 2 3 5 4 2 3 4 3 2 3 5 4 3 4 4 3 3 3 4 3 3 3 5 5 5 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 71 m 6H | 67 67 d 1H J 22 | 66 65 dd 1H J 21 78 | 45 45 s 2H | 41 40 m 1H | 35 35 m 1H | 35 34 d 1H J 121 | 32 32 d 1H J 120 | 32 31 dd 1H J 32 115 | 29 28 dd 1H J 31 115 | 26 25 m 3H | 23 22 dd 1H J 50 131 | 17 15 m 4H | 15 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1NC(=O)OC(C)(C)C
ir: 1 5 2 2 0 1 3 5 2 5 4 2 2 3 5 4 3 5 7 2 2 2 3 1 1 2 3 3 6 6 8 27 19 10 9 10 2 4 9 6 2 3 2 0 2 4 4 4 3 2 3 3 10 29 46 10 7 4 3 0 5 9 2 2 2 4 2 2 3 4 3 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 5 3 3 4 1 1 2 3 0 2 4 5 4 12 12 4 3 4 4 2 0 2 3 2 4 6 61 4 1 3 4 2 1 5 6 2 1 5 5 8 3 4 4 4 1 8 3 2 1 5 11 5 1 9 100 16 2 3 3 0 2 8 25 10 7 9 12 5 3 2 1 2 2 3 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 1 2 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 3 4 1 2 2 1 0 2 2 2 1 3 2 3 6 8 7 10 53 34 14 6 4 2 3 3 2 1 1 1 1 1 2 1 2 2 2 2 3 2 2 3 18 35 5 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 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 0 1 2 1 0 1 2; 1HNMR: 80 80 m 2H | 78 78 m 2H | 77 76 dq 2H J 14 114 | 75 75 s 1H | 24 24 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N[C@H]2CC[C@H](N)C2)nc2ccc(F)cc12
ir: 3 5 7 3 2 14 12 5 7 7 3 5 5 7 6 19 9 3 4 3 5 3 5 61 9 4 10 20 19 6 5 3 2 5 2 3 4 1 1 2 2 0 1 2 2 2 3 7 7 4 4 6 4 1 7 38 100 36 18 28 9 22 13 7 8 7 8 24 11 3 3 10 8 15 17 9 19 11 3 5 13 23 5 2 2 1 2 6 5 2 1 2 2 3 1 1 2 7 3 2 4 2 2 4 4 14 5 10 8 5 6 5 6 3 2 2 1 3 8 7 7 8 15 10 11 9 4 5 8 7 7 13 22 23 40 30 11 18 4 4 2 0 1 5 8 46 34 13 9 0 6 77 11 4 3 16 2 3 3 5 40 8 1 2 1 2 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 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 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 2 3 3 2 2 3 2 2 4 10 15 4 15 13 34 7 2 1 1 2 2 1 2 2 6 10 36 7 34 31 11 11 8 9 13 67 34 26 25 33 23 16 11 6 2 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 79 78 m 2H | 73 72 m 1H | 67 66 d 1H J 7 | 61 60 d 1H J 78 | 42 41 m 1H | 31 30 m 1H | 26 26 s 2H | 20 19 m 2H | 19 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)[C@H]2C[C@H]2C(=O)O)cc1
ir: 3 3 3 4 1 4 1 3 3 6 6 3 9 9 17 7 23 22 21 38 100 33 4 4 8 22 2 4 2 2 2 2 3 2 1 3 5 1 13 6 4 6 3 3 8 5 8 9 6 2 3 1 3 1 5 8 3 3 3 2 2 2 3 3 3 5 2 2 2 18 5 6 3 5 3 7 14 38 41 15 5 5 4 15 8 7 14 6 6 2 7 4 3 10 11 2 2 2 2 9 4 1 2 5 4 1 1 3 6 4 3 3 5 4 3 1 1 1 2 1 2 2 2 2 3 5 4 1 2 2 2 2 2 5 9 7 22 61 20 34 16 9 4 5 3 4 19 3 12 9 15 35 5 1 2 2 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 1 1 2 4 7 1 1 9 20 13 10 4 6 5 2 3 6 1 36 77 10 3 2 0 1 2 1 0 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; 1HNMR: 79 78 m 2H | 73 73 dt 2H J 9 84 | 31 30 ddd 1H J 68 77 95 | 23 23 d 3H J 9 | 22 22 ddd 1H J 66 75 95 | 20 19 dt 1H J 66 77 | 16 16 q 1H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCC2
ir: 1 2 3 1 2 4 4 4 5 4 2 2 2 2 3 5 3 9 10 7 9 3 3 2 2 4 4 2 7 5 12 5 8 9 3 2 3 6 24 9 26 40 8 5 20 11 4 7 16 3 2 9 33 24 10 10 10 5 6 1 4 5 8 17 5 16 72 51 17 19 7 4 3 3 1 1 2 5 3 1 2 2 1 2 2 3 3 4 17 9 6 6 4 2 8 4 8 3 4 2 2 2 1 1 2 2 1 2 4 2 0 2 4 6 3 49 10 13 4 3 5 8 9 9 3 3 5 31 7 4 2 2 3 3 2 40 10 31 4 3 3 13 4 5 10 41 9 3 14 32 9 5 11 23 10 8 8 5 3 3 7 1 2 25 12 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 1 2 2 2 4 6 11 16 100 25 16 35 7 3 5 3 3 2 1 2 1 1 1 2 3 3 2 91 21 7 5 2 0 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2; 1HNMR: 80 79 d 1H J 90 | 79 79 d 1H J 75 | 74 72 m 6H | 62 62 dd 1H J 14 91 | 55 55 d 1H J 13 | 51 51 d 2H J 7 | 42 42 d 2H J 37 | 37 36 s 2H | 31 30 m 3H | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CC)CC(=O)c2cc(OC)ccc21
ir: 4 5 5 4 4 8 9 4 4 5 6 10 9 22 14 16 8 5 5 4 3 4 5 4 4 4 3 4 8 7 3 4 10 4 3 3 3 5 5 5 3 3 4 5 4 4 4 5 4 2 3 14 9 2 15 100 42 22 6 0 5 15 7 17 11 5 3 11 15 11 6 6 6 5 4 5 4 4 5 4 4 5 4 3 3 3 3 3 4 5 7 5 4 4 3 3 4 5 4 11 4 4 3 3 4 4 3 6 4 4 2 4 14 13 12 6 11 9 10 18 10 9 5 8 13 8 5 8 7 6 3 4 4 9 9 3 4 4 18 29 24 5 3 4 4 3 16 43 19 7 10 20 12 5 6 4 3 3 3 3 3 6 10 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 6 4 4 3 5 9 8 6 5 4 5 8 8 16 16 22 22 22 15 20 8 4 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 75 74 d 1H J 27 | 74 73 d 1H J 88 | 69 68 dd 1H J 27 87 | 38 38 s 2H | 30 29 s 2H | 19 18 dq 2H J 72 143 | 17 16 dq 2H J 71 141 | 9 8 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCCN1
ir: 2 1 0 1 2 1 1 3 8 5 1 2 2 1 0 1 2 1 8 13 5 21 7 9 0 2 1 1 1 1 1 1 1 0 1 2 2 0 6 6 2 10 12 8 10 9 18 6 6 72 12 9 28 100 9 7 4 1 9 5 5 10 6 2 5 2 3 3 6 4 2 6 3 18 11 3 6 25 10 7 8 3 4 2 0 1 2 2 1 1 4 3 2 2 3 3 2 2 2 2 1 2 8 12 6 7 16 11 4 4 9 10 10 22 10 11 7 20 14 12 15 9 8 7 7 9 8 14 5 9 4 3 22 9 5 14 3 4 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 2 3 5 5 3 2 3 3 1 5 4 5 3 5 2 1 1 1 2 1 1 1 1 1 1 2 2 1 2 3 6 4 21 28 38 27 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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; 1HNMR: 29 28 m 2H | 27 26 dddd 1H J 30 39 55 132 | 20 19 dt 1H J 38 60 | 17 15 m 4H | 15 14 m 1H | 14 13 ddt 1H J 56 86 131 | 11 11 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCCN1CCO
ir: 3 5 7 4 3 5 7 5 10 18 11 8 23 19 25 23 17 11 14 5 4 6 4 3 4 4 4 4 4 3 3 3 2 3 3 2 2 3 3 2 3 4 3 3 4 3 3 3 3 3 3 3 3 3 7 10 5 5 6 3 3 4 3 2 6 3 3 2 4 4 4 3 4 4 3 5 5 4 4 15 22 12 3 6 10 10 8 42 32 20 8 9 3 3 6 4 3 3 4 3 3 3 4 5 4 3 3 3 2 3 4 4 4 4 5 3 4 4 3 3 5 5 3 3 4 3 2 2 3 3 4 6 5 4 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 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 4 2 2 2 3 3 4 5 4 2 1 2 4 2 0 4 12 100 96 12 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 37 36 m 2H | 33 32 t 1H J 60 | 29 28 m 2H | 28 27 dt 1H J 55 126 | 26 25 m 2H | 18 17 m 2H | 17 16 m 1H | 16 15 m 1H | 11 10 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1S(=O)(=O)C(C)(C)c1ccccc1
ir: 1 3 4 5 9 10 5 5 7 6 3 8 14 16 0 6 4 5 7 7 21 75 20 2 1 6 21 1 2 8 9 7 3 8 2 7 4 10 3 4 30 10 2 3 1 1 1 1 3 1 2 8 5 2 1 1 2 1 2 1 1 2 2 3 11 17 11 21 27 7 4 6 5 9 7 6 6 4 11 19 3 2 1 23 8 3 10 8 2 2 2 4 9 4 4 1 2 33 1 7 13 3 1 3 5 1 1 1 1 1 1 2 4 1 2 1 2 1 4 22 2 1 3 2 2 1 12 5 4 3 2 1 2 4 50 20 4 3 2 3 12 3 2 3 2 8 20 3 2 1 3 2 4 52 5 2 1 0 2 17 100 3 5 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 4 11 8 22 40 22 15 4 3 1 1 1 2 15 12 2 1 1 1 1 1 1 1 1 2 1 1 1 23 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 s 1H | 78 78 s 1H | 74 74 m 3H | 74 73 m 4H | 72 72 s 1H | 38 38 s 3H | 24 24 s 3H | 17 17 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1N=CCC(C)C
ir: 3 4 4 3 5 4 7 10 3 6 12 4 7 13 10 8 2 2 6 3 2 1 1 1 1 1 2 2 5 21 22 4 11 6 3 1 7 4 4 2 1 1 2 2 5 29 11 9 6 8 2 2 2 3 3 11 3 1 1 1 1 2 6 1 4 2 2 5 10 8 6 9 1 1 2 3 6 6 6 2 2 1 1 1 1 3 1 1 1 1 2 7 4 1 2 5 1 4 1 1 1 1 1 2 1 7 11 4 21 4 2 3 3 2 1 1 1 4 5 15 17 5 6 15 4 2 0 2 2 3 2 2 2 2 4 17 2 2 1 1 50 1 1 3 4 4 5 9 12 21 4 13 3 3 22 11 2 26 1 2 1 1 8 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 2 2 0 1 2 1 1 4 3 2 4 5 7 28 100 23 8 6 5 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1; 1HNMR: 80 80 d 1H J 88 | 79 78 d 1H J 25 | 76 76 dd 1H J 25 89 | 75 74 m 5H | 67 66 td 1H J 17 77 | 38 37 s 2H | 21 21 t 2H J 76 | 19 18 m 1H | 10 9 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1ccc2c(c1)C(=O)CC1(CCN(CCc3c[nH]c4ccccc34)CC1)O2
ir: 3 2 3 4 7 10 6 6 3 1 2 2 3 5 2 1 3 3 2 2 9 1 2 2 2 16 1 1 2 1 0 1 1 1 2 2 2 1 2 2 3 12 53 3 3 1 1 1 1 1 1 2 2 3 5 4 3 2 0 1 1 0 1 1 1 0 3 15 3 2 1 1 1 1 2 2 1 1 1 7 13 13 6 4 2 4 0 5 2 1 0 3 3 3 1 1 2 2 2 3 3 3 7 4 4 6 3 7 10 3 2 6 4 3 3 1 2 2 2 1 2 4 12 3 3 2 8 4 1 4 7 4 1 2 1 3 3 4 2 1 1 8 6 4 17 5 2 6 19 3 2 11 31 5 5 2 0 0 1 0 1 3 1 1 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 4 2 1 1 1 2 3 2 2 12 4 8 100 8 5 6 4 2 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 14 17 21 6 1 1 1 0 0 0 1 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; 1HNMR: 99 99 d 1H J 71 | 81 80 d 1H J 22 | 77 76 m 2H | 76 75 m 1H | 74 73 dd 1H J 14 77 | 73 72 dd 1H J 8 72 | 72 71 m 3H | 64 64 d 1H J 163 | 38 37 s 2H | 30 29 m 6H | 29 28 ddd 2H J 38 66 125 | 27 27 ddd 2H J 38 66 125 | 22 21 ddd 2H J 38 66 136 | 20 19 ddd 2H J 38 64 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCCCCOCCc1cc2ccccc2o1
ir: 3 2 1 2 3 2 2 2 5 2 1 2 4 2 3 2 2 2 2 2 5 1 1 2 2 1 1 2 2 1 2 3 2 1 3 3 2 4 6 4 10 33 74 71 25 18 20 19 6 0 2 5 3 1 2 4 2 0 1 3 3 1 2 7 7 8 11 4 29 25 7 8 5 7 6 4 1 0 2 3 1 0 5 4 1 0 3 2 0 0 3 4 1 1 5 6 6 29 9 5 1 12 9 7 4 6 8 4 3 5 13 13 4 7 8 4 2 7 8 9 3 4 8 6 2 3 4 1 4 2 4 2 1 3 3 9 14 17 7 3 5 36 10 1 2 3 3 1 1 4 4 7 100 7 2 3 2 2 1 1 4 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 2 1 2 3 4 4 6 13 8 4 5 5 4 4 7 22 33 30 37 31 10 40 12 10 5 2 4 5 3 2 2 2 2 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 76 75 m 1H | 75 74 m 1H | 73 73 ddd 1H J 14 74 89 | 72 71 ddd 1H J 11 79 90 | 67 67 dd 1H J 9 17 | 38 37 t 2H J 60 | 35 34 m 4H | 29 29 td 2H J 9 61 | 18 17 m 2H | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)c1ccc(C(=O)O)cc1
ir: 1 0 1 2 5 4 0 1 2 3 1 2 1 5 3 5 6 9 8 8 7 100 11 3 2 2 1 1 1 1 3 3 5 2 1 3 4 2 3 2 3 1 1 1 0 1 1 1 0 0 1 1 1 0 2 7 12 4 2 1 1 1 1 1 1 2 2 2 2 3 2 0 1 1 4 16 20 5 20 19 12 3 1 1 1 1 2 5 4 3 0 3 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 5 31 31 6 7 4 6 7 4 3 7 6 1 2 2 1 2 2 2 0 0 1 1 0 1 2 6 8 9 30 14 5 1 1 1 2 3 1 2 1 1 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 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 1 1 0 1 0 0 0 0 0 0 1 1 2 5 6 8 20 9 8 4 4 1 1 1 1 5 44 35 14 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: 80 80 m 2H | 77 77 m 2H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1ccncc1OCC(C)C
ir: 2 5 5 5 6 5 7 8 3 6 6 7 2 5 3 3 3 3 3 25 65 39 21 5 6 6 4 2 3 4 6 3 18 18 21 38 32 14 11 10 6 4 6 5 4 19 7 7 6 9 3 2 3 4 7 1 4 4 3 2 6 8 4 0 25 30 5 13 19 13 7 16 52 45 39 10 5 4 2 3 4 3 2 2 8 5 21 23 4 3 1 2 3 3 2 5 7 5 2 4 10 17 4 3 5 7 5 4 8 9 7 22 32 11 12 11 12 12 13 9 7 8 4 5 9 13 50 73 100 22 9 7 7 3 2 3 3 2 2 7 30 9 3 4 6 7 6 19 25 20 15 5 4 7 4 4 3 1 2 6 7 5 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 1 2 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 3 2 2 3 3 1 2 4 6 6 3 4 4 5 4 5 5 5 6 11 11 24 38 17 18 36 31 12 3 3 3 4 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 84 dd 1H J 13 49 | 84 83 d 1H J 15 | 76 76 d 1H J 49 | 40 39 d 2H J 49 | 36 35 s 2H | 32 31 s 2H | 20 19 dtt 1H J 51 72 143 | 10 10 d 7H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C=O)CC(=O)O
ir: 4 3 2 3 5 9 5 11 9 16 9 8 11 10 6 10 12 12 22 43 41 52 48 29 12 15 4 5 4 1 1 3 2 1 1 3 3 2 2 3 3 1 2 4 3 4 3 5 4 3 3 4 3 1 2 3 2 0 1 3 1 0 2 3 1 2 4 6 6 5 6 8 7 9 5 5 13 15 21 36 35 5 9 3 5 4 8 6 3 4 3 4 2 1 3 3 1 2 3 5 2 6 14 14 12 12 25 20 5 6 3 2 1 2 3 3 2 7 3 6 3 3 4 2 2 2 3 1 1 2 3 1 2 4 3 3 1 3 3 4 6 6 17 34 7 17 4 3 2 3 2 0 1 3 2 4 13 8 36 6 2 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 2 1 2 3 3 1 2 3 2 3 3 3 3 2 3 2 2 1 1 1 1 3 4 100 46 41 38 26 7 0 2 3 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 81 80 p 1H J 10 | 38 38 d 2H J 10 | 31 30 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cnccn1)Nc1ccnc2ccc(C3CCNC3)cc12
ir: 0 1 2 2 7 9 18 5 5 3 5 9 10 10 13 8 4 10 5 7 3 3 3 1 4 4 6 9 6 6 2 6 3 4 3 5 7 6 9 9 10 18 34 32 18 12 5 12 7 9 5 1 3 5 4 2 13 19 9 4 7 1 6 7 6 20 7 15 8 9 6 17 28 11 6 1 3 3 5 3 3 2 35 2 2 2 2 5 2 2 1 3 2 2 5 7 10 7 3 10 9 3 1 2 2 3 9 7 4 5 6 12 14 12 8 9 5 1 2 2 2 2 2 3 5 3 1 2 2 2 1 2 2 3 2 2 2 2 1 2 2 1 1 3 4 3 4 5 4 13 70 54 13 4 4 1 4 4 3 4 42 14 4 1 1 1 3 1 1 1 1 0 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 4 3 6 21 7 4 3 1 2 2 1 0 1 1 1 0 2 3 3 5 6 12 100 41 7 6 15 19 37 12 5 3 1 2 2 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 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 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0; 1HNMR: 96 96 s 1H | 88 88 s 1H | 87 86 d 1H J 13 | 85 84 d 1H J 44 | 84 83 dd 1H J 13 33 | 82 82 d 1H J 33 | 79 79 d 1H J 82 | 78 78 dd 1H J 7 20 | 75 74 m 2H | 32 31 m 3H | 31 30 ddt 1H J 24 43 132 | 30 29 m 1H | 22 21 m 1H | 20 20 tt 1H J 27 37 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O
ir: 9 10 9 13 2 12 8 9 8 8 11 8 7 10 9 13 14 15 7 18 34 74 10 16 11 10 12 6 5 6 4 3 6 6 9 7 3 6 6 12 10 40 13 20 36 7 6 12 4 5 5 3 4 5 4 5 5 11 7 3 13 86 21 10 3 4 4 4 6 12 55 13 4 3 11 16 13 86 19 20 12 14 38 61 17 5 6 4 5 3 3 2 8 4 24 4 5 6 3 7 7 4 3 3 2 3 3 3 5 3 4 5 4 5 3 4 2 3 4 4 6 14 7 5 7 6 5 3 2 6 5 9 21 33 24 20 9 5 4 4 5 4 3 80 9 4 6 6 5 8 16 10 14 15 22 33 4 3 13 3 20 6 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 3 2 3 4 4 3 4 4 4 3 3 3 6 4 2 4 9 4 6 10 10 7 3 2 3 4 5 21 54 11 8 13 4 6 11 31 19 13 46 11 0 27 52 0 8 5 2 7 6 100 25 17 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 90 90 s 1H | 75 74 dd 1H J 13 77 | 70 69 dd 1H J 76 85 | 69 68 dd 1H J 14 85 | 67 66 s 2H | 63 62 d 2H J 68 | 42 41 p 1H J 66 | 36 35 dd 1H J 66 172 | 34 33 dd 1H J 66 172
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.