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CC(C)(C)OC(=O)c1cc(Cl)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1F
ir: 3 4 2 2 4 3 3 2 5 9 4 6 2 2 1 1 0 1 1 1 1 1 1 1 0 0 1 1 2 1 1 0 0 0 1 3 2 4 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 0 1 2 2 1 1 1 2 1 2 6 2 4 5 5 2 1 1 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 1 1 2 2 2 2 2 3 6 3 4 3 4 3 2 4 3 3 5 8 8 5 4 6 2 2 3 4 3 3 3 8 4 3 4 4 2 3 2 1 1 1 0 1 0 1 0 1 2 2 5 29 100 23 3 1 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 1 1 1 1 4 12 21 2 6 21 3 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 48 | 69 68 d 1H J 121 | 40 40 d 2H J 49 | 38 37 ddd 2H J 58 85 122 | 34 33 ddd 2H J 58 85 122 | 22 20 m 4H | 18 17 ddt 2H J 59 85 126 | 16 16 s 8H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC=C1CCc2ccc3c(c21)CCO3
ir: 4 3 2 2 2 2 2 2 2 2 2 2 3 2 3 2 5 3 2 2 3 3 2 2 2 2 3 3 3 2 2 3 4 2 4 5 6 2 3 2 2 2 2 3 2 2 2 4 3 3 3 4 7 23 19 6 5 11 29 12 3 3 7 6 10 8 10 17 53 100 8 0 9 27 9 8 6 3 2 2 11 10 4 2 5 4 2 2 4 4 2 3 3 3 13 22 8 3 1 3 3 2 2 3 4 6 5 4 3 5 4 3 4 5 4 4 4 4 6 6 5 5 3 3 4 5 4 8 7 6 11 12 26 23 16 5 4 5 4 13 11 2 2 3 2 2 2 3 3 3 3 7 6 3 2 2 2 2 6 8 5 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 3 3 3 3 4 3 11 9 7 20 16 7 6 6 4 3 3 2 1 3 5 3 3 6 15 27 23 17 5 6 6 4 54 49 10 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 70 70 dt 1H J 8 90 | 66 66 d 1H J 90 | 56 55 tt 1H J 9 35 | 45 44 t 2H J 45 | 36 35 tdt 2H J 10 35 63 | 32 31 t 2H J 44 | 30 29 m 2H | 29 28 dddd 2H J 10 19 50 80 | 19 18 t 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc2nc[nH]c2c1
ir: 3 2 9 30 6 2 3 2 1 2 3 3 5 3 7 7 5 3 4 7 31 4 1 3 2 1 2 2 2 2 2 2 2 2 2 2 3 6 3 2 2 2 2 2 2 2 5 5 4 9 3 2 4 11 24 9 4 1 2 3 2 1 2 2 2 1 2 8 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 7 5 2 2 2 2 2 2 2 2 2 2 3 4 10 27 28 6 3 2 2 3 2 2 5 8 2 2 2 2 2 2 3 5 7 5 5 3 3 2 4 5 6 2 2 2 2 2 2 2 1 1 2 3 1 0 8 37 100 7 2 2 7 11 1 2 5 12 5 10 14 19 1 2 3 2 1 2 3 11 3 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 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 9 6 10 27 13 8 22 5 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 14 12 24 22 10 6 3 2 2 2 2 2 2 2 2 4 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; 1HNMR: 91 91 d 1H J 60 | 80 80 d 1H J 59 | 77 76 d 1H J 74 | 74 74 d 1H J 22 | 73 72 dd 1H J 22 73 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCC(CCOCc1ccccc1)C1OCCO1
ir: 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 4 1 1 2 3 2 1 0 1 1 4 7 2 1 1 0 1 1 0 1 3 13 2 2 2 2 1 2 2 3 2 2 2 3 2 2 1 2 2 1 5 6 2 2 5 5 3 6 11 4 12 2 4 1 2 8 7 3 3 5 2 1 0 9 1 1 1 0 1 2 3 1 1 0 0 1 1 0 5 4 1 2 2 1 3 3 4 3 6 6 3 2 2 1 2 2 2 2 4 2 4 14 4 2 3 1 2 3 1 1 1 1 1 0 1 4 13 3 1 1 1 1 1 11 4 2 3 4 1 2 15 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 1 1 1 2 5 3 1 2 2 3 2 3 11 6 10 17 100 16 8 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 tt 1H J 10 60 | 74 73 m 5H | 46 46 d 1H J 54 | 44 44 s 2H | 40 39 m 2H | 38 38 m 2H | 37 36 dt 1H J 59 116 | 35 35 dt 1H J 59 113 | 25 24 dtd 1H J 59 84 130 | 24 23 dtd 1H J 60 85 131 | 19 17 m 3H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCl)c1ccc(O)cc1
ir: 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 2 1 0 1 1 0 0 2 3 0 1 1 1 1 1 1 1 1 2 14 9 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 15 14 4 1 1 1 1 1 0 0 1 0 1 2 3 1 1 1 1 1 1 1 1 3 8 19 27 12 8 3 2 1 1 3 3 1 1 2 2 1 1 1 1 0 1 2 2 0 0 1 1 2 1 2 1 1 1 2 5 1 4 2 1 1 2 1 2 2 2 2 2 15 3 1 1 1 1 1 1 1 1 1 1 0 1 1 3 8 6 1 1 1 1 2 9 15 13 1 1 1 1 1 0 0 1 0 0 2 2 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 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 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 1 0 1 1 1 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 9 18 11 3 2 1 3 2 20 100 42 11 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 3 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 78 78 m 2H | 69 69 m 2H | 37 37 t 2H J 36 | 31 30 t 2H J 72 | 22 21 tt 2H J 37 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)O)cc1OC1CCCC1
ir: 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 2 1 1 0 0 1 0 0 0 1 0 1 1 3 2 2 1 1 1 1 1 1 2 4 3 2 3 1 1 1 1 2 2 0 2 1 1 1 0 0 1 1 0 0 1 2 2 14 6 13 4 2 2 1 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 2 0 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 4 4 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 2 1 1 1 1 2 1 3 1 1 1 1 1 1 2 3 1 5 16 1 2 2 2 1 2 2 100 4 3 2 1 0 0 1 0 1 0 1 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 m 2H | 69 68 m 1H | 49 48 dtd 1H J 54 63 73 | 48 48 p 1H J 37 | 39 38 s 3H | 24 23 d 1H J 49 | 20 18 m 5H | 17 16 m 2H | 17 16 s 0H | 15 14 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)CCCN1C(=O)c2ccccc2C1=O
ir: 2 2 2 3 3 2 3 2 2 2 2 2 2 2 2 2 5 3 2 2 2 1 2 2 2 1 2 2 2 1 1 2 3 18 2 3 3 1 22 3 51 11 7 8 2 2 8 2 3 2 2 1 2 3 3 2 2 3 5 3 2 3 2 3 2 3 4 2 2 10 11 3 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 4 4 12 1 2 3 3 2 4 5 6 2 4 4 8 10 7 58 7 4 3 1 2 3 2 2 2 4 3 22 12 1 7 8 0 100 2 2 2 2 2 2 2 2 2 2 2 2 2 5 3 22 2 12 2 2 5 3 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 6 2 3 3 3 3 3 4 2 4 11 6 10 53 41 1 5 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 40 39 qt 1H J 57 70 | 39 38 q 2H J 55 | 20 18 m 2H | 18 17 m 1H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCC1(c2ccc(OC)cc2NC(=O)[C@@H](C)N)SCCCS1
ir: 5 2 3 7 2 2 2 3 1 4 2 2 2 1 1 0 0 1 2 1 2 1 1 1 1 1 1 3 1 0 1 2 1 1 1 1 2 2 2 2 3 2 7 5 20 27 12 3 3 3 2 6 7 7 3 3 5 3 4 4 8 8 20 1 5 5 7 17 7 8 4 5 3 11 19 22 3 11 32 3 5 4 1 16 2 1 1 0 1 1 0 1 2 1 1 2 2 1 0 1 1 2 3 2 1 1 3 6 3 5 7 4 4 3 2 4 4 6 4 3 1 6 5 4 1 1 5 12 9 5 5 7 6 7 8 69 9 2 7 4 3 1 0 2 3 36 5 22 2 4 7 1 1 6 36 11 4 9 6 2 2 0 0 1 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 1 1 2 2 1 2 3 2 1 2 3 7 13 3 3 18 11 4 1 0 1 1 0 0 1 1 0 1 2 10 27 10 13 5 2 4 8 11 100 26 11 14 8 4 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 73 73 d 1H J 79 | 69 68 d 1H J 21 | 68 67 dd 1H J 22 79 | 51 50 d 2H J 55 | 43 42 h 1H J 54 | 38 38 s 2H | 37 36 s 2H | 30 29 dt 2H J 46 135 | 29 28 m 2H | 24 23 m 2H | 22 22 m 2H | 19 18 p 2H J 45 | 18 16 m 4H | 14 14 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)Oc1nc(N)c2nc(OC)n(CC3CCCOC3)c2n1
ir: 6 6 9 12 4 13 10 10 12 24 11 6 4 13 16 9 11 7 4 6 11 13 14 13 39 14 6 8 3 8 9 12 6 11 7 8 8 3 4 5 4 4 4 3 7 5 5 7 9 4 11 5 4 9 6 9 19 5 14 8 3 6 9 17 6 2 14 5 15 11 9 6 19 11 7 7 3 12 9 18 24 15 7 5 2 3 1 3 4 2 3 7 7 4 7 8 8 6 3 10 9 17 6 12 21 43 38 60 35 25 15 19 37 46 7 18 18 45 43 17 31 11 16 20 14 9 16 21 10 15 12 9 9 19 33 6 3 4 3 2 1 2 3 2 21 13 7 4 2 4 2 5 6 18 2 2 1 2 1 2 3 6 31 51 5 3 2 4 66 2 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 2 2 3 3 2 4 9 21 11 6 7 11 18 10 19 20 11 9 38 19 32 57 55 51 23 14 20 26 9 6 3 4 4 5 5 7 5 2 5 7 57 57 7 4 5 4 5 25 100 41 7 5 2 2 1 1 2 1 1 1 2 2 3 4 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H | 50 49 qt 1H J 52 71 | 44 43 m 1H | 41 40 m 1H | 40 39 s 3H | 38 37 dd 1H J 52 114 | 37 36 m 1H | 36 35 m 3H | 35 34 m 1H | 34 34 s 3H | 19 17 m 3H | 17 16 m 1H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2ccc3c(c2s1)C(=O)CC3
ir: 5 2 3 7 6 7 1 26 90 75 68 41 6 13 12 9 4 6 10 4 5 3 20 4 4 3 3 6 3 3 4 4 4 4 2 1 4 1 4 3 4 5 1 2 2 1 1 1 2 0 3 3 16 20 22 22 3 3 1 2 1 1 3 3 2 1 1 1 1 1 1 1 1 0 1 2 2 5 3 2 1 1 1 2 8 8 3 8 3 1 1 1 1 2 3 1 1 1 1 1 0 1 2 1 1 12 6 1 2 1 2 1 1 4 6 2 0 5 2 2 1 2 2 1 3 3 3 2 6 5 3 2 1 7 10 2 1 6 4 1 1 2 2 1 1 5 21 14 10 13 3 19 45 63 86 14 8 3 2 9 3 1 2 2 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 1 1 0 1 1 1 1 3 6 5 4 2 2 1 1 4 5 10 14 5 17 21 5 7 2 2 1 1 1 2 1 2 1 1 1 1 1 3 38 18 5 2 1 1 1 1 1 3 5 7 100 73 15 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 76 75 d 1H J 77 | 73 73 dt 1H J 9 77 | 57 56 s 2H | 31 31 td 2H J 9 63 | 29 28 dd 2H J 57 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(C#N)CCCC1
ir: 31 14 0 19 77 45 63 39 26 15 3 19 27 14 5 20 27 24 19 27 29 10 6 21 23 13 27 40 42 15 9 26 23 5 9 25 21 6 10 26 21 4 20 43 25 11 16 27 18 2 19 33 22 3 24 37 32 12 62 63 29 10 17 28 13 4 39 69 36 26 20 26 12 5 19 24 11 8 21 30 14 9 21 38 49 59 84 34 15 12 24 29 15 26 25 25 14 24 67 69 80 29 26 17 5 15 30 21 45 96 100 28 43 67 90 32 17 23 37 23 24 36 39 40 30 61 68 31 12 23 35 22 25 31 24 12 8 20 22 9 8 20 21 8 8 21 20 7 9 23 19 6 10 23 18 5 11 24 17 4 12 25 16 4 13 25 15 3 14 26 14 2 15 26 14 3 15 25 13 6 23 27 12 5 17 23 11 6 18 22 10 7 19 22 10 7 19 21 9 8 20 20 8 9 21 19 7 10 22 18 6 11 23 17 6 12 23 16 5 13 24 16 4 13 25 15 4 14 26 14 3 15 25 13 4 16 24 13 5 16 23 12 6 17 22 11 7 18 21 10 7 19 20 10 9 20 20 9 10 20 19 9 10 21 19 8 12 22 19 7 14 27 18 7 21 31 33 18 24 33 19 6 25 59 53 19 20 25 14 5 15 24 13 6 16 23 13 7 17 22 12 7 17 21 11 8 18 20 10 9 19 19 10 9 19 19 9 10 20 18 8 11 20 17 8 11 21 17 7 12 22 16 7 13 22 15 6 13 23 15 5 14 23 14 5 15 23 13 6 15 22 13 7 16 21 12 7 17 21 12 8 17 20 11 9 18 19 10 9 18 19 10 10 19 18 9 11 19 17 9 11 20 17 8 12 20 16 8 13 21 15 7 13 21 15 7 14 22 14 6; 1HNMR: 23 23 s 5H | 21 20 m 2H | 19 18 m 4H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(C(F)(F)F)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1N2
ir: 3 3 4 8 4 7 7 2 2 3 22 5 2 11 4 3 6 5 4 5 7 8 17 4 4 9 4 2 8 2 4 4 3 4 3 1 2 4 3 8 9 16 34 31 7 6 2 2 2 2 4 3 4 7 8 7 5 3 4 3 4 1 3 2 3 2 2 6 4 7 7 19 8 4 4 3 1 1 1 1 1 1 2 4 3 3 5 5 4 5 3 2 4 3 5 3 4 4 0 38 7 8 5 8 18 3 7 16 12 2 3 3 2 4 5 4 4 8 12 3 3 4 1 3 3 2 2 4 6 3 3 4 5 3 5 7 15 20 16 3 3 10 33 32 12 14 2 2 2 3 13 4 33 15 3 8 2 2 2 2 29 2 2 6 36 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 2 1 1 2 2 3 2 3 2 2 3 1 4 8 9 7 22 65 25 9 2 4 3 3 2 2 1 2 1 1 1 2 1 2 2 1 2 3 3 3 17 100 28 11 5 4 4 3 0 1 2 2 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 p 1H J 14 | 72 71 dddt 2H J 9 20 51 70 | 71 70 td 1H J 18 76 | 70 69 m 3H | 67 67 dd 1H J 14 78 | 54 54 t 2H J 9 | 53 52 s 1H | 30 30 m 1H | 30 30 s 3H | 28 28 q 2H J 71 | 25 24 s 2H | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(NC(=O)c3ccccc3Cl)on2)cc1
ir: 1 1 1 2 3 1 0 1 1 1 0 1 1 1 2 4 9 6 4 1 1 1 1 1 4 1 1 1 4 4 1 1 1 2 2 1 2 2 3 1 3 6 29 29 7 1 1 2 6 4 10 8 5 1 14 2 16 5 2 0 3 2 3 5 2 1 1 2 1 3 3 2 4 7 5 3 2 2 2 1 1 1 1 1 0 0 1 2 3 2 1 1 0 0 1 1 2 0 1 1 0 1 1 2 1 0 1 1 4 2 1 0 0 0 1 1 0 1 2 1 1 1 3 1 1 6 3 2 2 2 3 1 0 2 9 8 6 4 13 9 4 1 1 1 2 1 6 13 19 8 43 100 57 3 6 6 3 2 10 18 13 1 1 1 31 8 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 4 6 29 44 31 15 8 3 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 2 1 2 10 20 23 17 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 78 78 dd 1H J 17 77 | 77 76 m 2H | 75 74 m 3H | 69 69 m 2H | 65 65 s 1H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccn2cc(C(O)c3ccccc3)nc2c1)c1ccc(O)cc1
ir: 3 2 2 2 4 3 5 2 1 4 3 4 3 4 5 3 4 5 4 5 8 10 4 5 2 2 4 2 6 12 11 11 2 5 8 10 4 6 7 18 19 28 24 13 9 2 3 2 3 1 2 6 10 14 7 1 16 7 8 1 2 1 3 13 11 2 5 3 2 7 4 3 3 5 7 4 8 8 13 9 6 36 2 14 19 29 52 3 14 5 3 1 1 2 3 7 5 2 24 7 2 6 3 2 1 1 7 1 1 1 0 1 1 3 9 2 1 4 3 3 6 4 4 3 4 10 14 3 2 3 2 2 1 2 4 11 5 1 1 3 4 14 18 28 18 20 11 8 7 3 10 15 5 2 6 2 1 1 1 0 0 1 3 13 1 0 1 1 1 0 1 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 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 1 2 1 0 1 1 2 2 2 2 1 0 1 3 1 2 5 8 13 85 19 19 37 3 7 7 33 100 39 5 3 4 2 1 1 1 1 1 1 2 2 3 5 27 8 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 73 | 84 83 t 1H J 53 | 83 82 s 1H | 80 80 m 1H | 78 77 m 2H | 74 74 m 2H | 74 73 m 4H | 70 69 m 2H | 69 68 dq 1H J 10 73 | 59 58 m 1H | 45 44 dt 2H J 11 53 | 43 43 d 1H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(NC(=O)OCc1ccccc1)C(=O)c1c[nH]c2ccccc12
ir: 10 5 3 1 1 5 18 4 3 3 8 15 11 10 17 7 7 10 5 6 5 6 4 4 25 40 30 13 12 67 57 29 27 17 18 7 5 7 11 14 20 13 44 54 8 4 5 2 1 1 1 2 1 0 1 1 2 0 2 4 1 1 1 1 2 6 8 4 5 11 3 1 3 3 3 5 4 6 5 3 2 1 2 2 1 2 3 7 5 5 2 2 0 1 1 2 9 8 2 2 2 2 1 5 3 2 5 14 5 2 3 1 1 1 0 1 2 2 2 10 18 20 12 7 14 22 5 6 2 4 4 1 0 2 5 9 7 2 2 1 1 8 24 30 54 42 35 20 20 57 7 3 11 7 13 12 6 40 41 2 2 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 7 8 9 35 38 3 10 16 7 6 2 3 1 1 1 3 1 1 1 2 4 100 12 2 1 3 9 8 57 91 18 6 4 14 32 4 3 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 d 1H J 71 | 82 82 d 1H J 72 | 82 81 dd 1H J 13 81 | 75 74 m 2H | 74 73 m 7H | 73 72 ddd 1H J 11 72 83 | 72 72 s 2H | 53 53 d 1H J 86 | 51 51 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(OC(C)(C)C)c1c(C(F)(F)F)ccc(O)c1C1=CCC(C)(C)CC1
ir: 69 100 44 14 1 9 5 7 7 9 18 8 1 7 4 2 4 4 5 3 1 3 2 2 4 3 2 8 6 10 17 13 3 3 3 3 3 4 7 3 5 6 4 6 4 4 3 3 3 4 3 2 3 19 55 31 6 1 8 2 3 6 6 5 8 7 6 16 21 21 23 8 5 4 4 2 5 7 8 70 33 10 3 7 6 5 7 18 28 7 7 4 3 7 7 10 18 13 79 15 0 12 11 49 31 7 9 81 17 6 1 3 5 6 13 7 11 67 49 23 20 6 7 5 10 6 5 7 11 12 20 11 5 7 6 8 5 2 3 3 4 3 5 26 46 8 2 3 15 11 3 13 3 1 2 2 5 24 2 2 7 3 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 1 2 2 1 2 2 1 1 2 2 1 1 2 1 2 2 3 3 5 4 4 4 3 3 3 4 4 4 6 7 6 34 30 19 45 15 6 6 4 3 2 9 82 21 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 s 1H | 76 75 dq 1H J 25 77 | 69 68 d 1H J 79 | 58 58 s 1H | 57 56 tt 1H J 9 47 | 35 35 s 3H | 27 26 ddt 2H J 9 56 76 | 21 20 dt 2H J 10 48 | 16 15 m 2H | 12 12 s 8H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)cc(-c2nc3ccc(Cl)nc3o2)cc1C
ir: 2 1 3 2 1 7 10 2 4 21 10 4 10 18 3 2 1 2 6 7 1 4 4 26 6 2 2 1 2 2 2 4 2 2 1 2 11 5 41 21 17 15 4 2 1 1 1 8 1 1 2 3 4 11 38 2 3 4 2 0 2 2 5 12 7 21 7 5 3 7 7 18 4 4 2 1 1 2 1 1 1 1 1 2 2 2 6 4 3 2 9 9 3 2 0 1 2 3 14 22 4 5 9 2 2 1 2 5 10 9 2 1 9 2 1 2 1 2 4 5 0 1 3 2 2 17 2 6 5 3 4 3 5 10 41 100 11 3 10 32 7 40 2 3 2 1 1 8 2 1 48 8 2 1 1 2 4 2 3 10 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 1 1 2 1 1 2 2 2 1 2 3 3 13 11 10 11 31 43 13 5 6 4 4 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 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 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 79 | 76 76 s 2H | 74 74 d 1H J 79 | 38 38 s 2H | 22 22 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(N)c3)c2c1Cl
ir: 8 16 16 11 6 5 7 12 11 5 10 10 13 10 12 10 10 7 9 13 14 51 48 5 15 8 6 6 5 4 4 5 4 4 5 4 4 5 4 3 4 4 4 4 4 6 4 4 9 13 4 2 4 7 18 15 3 4 4 3 3 8 4 3 3 4 6 6 15 4 4 4 4 3 4 5 8 25 10 6 5 4 4 3 4 4 8 4 5 7 5 3 3 4 4 5 3 3 3 5 4 5 3 3 4 4 3 7 3 6 7 3 4 3 2 4 6 4 4 5 8 11 5 5 5 6 10 6 4 9 3 3 4 3 3 3 3 3 8 10 4 7 8 4 4 3 3 5 6 67 9 8 7 8 13 3 11 56 11 6 4 5 10 7 20 6 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 3 3 3 3 3 3 3 4 3 3 4 4 4 2 3 4 3 3 4 4 4 3 4 6 8 17 19 9 6 4 4 5 3 0 66 29 4 4 4 4 4 3 5 54 100 8 5 8 11 24 56 8 8 8 8 26 48 7 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 86 85 s 1H | 82 81 d 1H J 121 | 73 72 ddd 1H J 22 37 79 | 72 71 dd 1H J 79 101 | 70 69 dd 1H J 22 31 | 57 57 p 1H J 48 | 39 38 d 2H J 35 | 31 30 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CC1(c1ccc(OC)c(C)c1)c1ccc(OC)c(C)c1
ir: 1 1 1 2 4 4 4 1 0 1 1 1 2 3 2 1 2 2 1 1 1 5 3 2 1 1 1 1 0 1 1 1 1 5 3 3 12 9 10 6 6 4 2 1 1 2 3 0 1 2 1 3 5 24 22 63 8 4 3 8 6 15 7 17 21 21 18 5 5 4 20 8 9 9 8 2 6 10 3 2 1 1 7 1 1 2 3 8 6 1 2 3 3 2 1 2 1 1 6 4 3 17 7 1 1 1 2 1 3 8 5 2 2 2 2 2 6 4 11 23 12 6 6 5 3 7 4 5 2 1 8 4 1 1 1 1 0 1 1 1 1 2 6 12 4 1 2 3 3 19 32 76 16 19 4 2 1 2 2 1 1 1 4 2 1 0 0 1 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 3 2 2 2 5 5 3 2 3 5 3 10 9 6 41 17 23 100 55 20 12 8 5 3 1 2 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 m 4H | 68 67 d 2H J 81 | 38 38 s 5H | 24 23 m 1H | 22 22 s 5H | 19 19 dd 1H J 54 81 | 17 16 m 2H | 15 12 m 6H | 9 9 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)C=C(CC(=O)CCl)O1
ir: 17 7 1 7 10 8 8 21 16 12 10 10 18 18 7 11 12 10 9 15 7 15 9 6 7 2 2 6 8 2 3 7 6 3 2 6 6 2 3 7 6 3 4 7 8 4 5 10 7 0 5 8 7 2 4 8 3 1 12 11 4 1 5 8 3 1 4 6 3 1 4 6 3 1 5 6 3 5 36 8 5 2 5 7 5 2 5 6 2 3 7 5 9 7 19 14 9 20 8 7 2 3 7 5 2 5 8 6 2 8 10 6 11 24 8 6 4 9 13 5 1 16 14 16 14 17 22 34 36 44 35 14 2 7 8 3 3 7 9 12 8 20 37 7 3 8 6 2 3 6 5 2 2 6 5 1 3 6 5 9 100 16 7 0 3 7 4 0 3 7 4 0 4 7 3 0 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 2 2 5 6 2 2 5 5 2 2 5 5 2 2 5 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 3 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 3 6 10 5 6 7 15 10 4 6 9 5 5 8 17 38 31 30 21 6 2 5 8 4 2 4 6 4 2 5 5 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1; 1HNMR: 54 53 t 1H J 13 | 42 42 s 2H | 36 35 d 2H J 13 | 17 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cncn1-c1ccc(C(F)(F)F)cc1C(=O)c1ccccc1
ir: 1 1 2 7 1 2 2 3 3 2 7 10 2 2 2 3 3 2 1 1 1 1 2 3 5 8 11 17 11 12 28 17 10 4 6 6 18 1 5 9 14 23 43 15 4 3 21 40 8 1 2 2 2 5 18 23 23 3 2 2 2 9 4 7 21 19 37 90 43 16 12 6 6 6 2 4 2 6 7 8 4 2 1 1 1 1 1 4 3 2 7 4 12 10 5 5 7 7 84 60 1 2 5 3 0 1 2 2 1 2 3 8 32 22 5 2 5 5 6 3 5 3 3 6 6 15 20 4 2 2 4 2 8 43 20 21 6 11 4 5 14 20 12 3 4 6 9 3 15 3 5 10 11 3 3 1 0 1 1 0 0 1 1 1 3 2 2 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 2 7 4 1 1 2 2 2 2 3 4 4 8 5 13 8 19 73 96 99 100 49 7 3 2 4 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 16 | 79 79 dt 1H J 13 25 | 78 78 ddq 1H J 13 25 108 | 78 77 m 2H | 77 77 d 1H J 108 | 76 75 ddt 1H J 16 66 85 | 75 75 m 2H | 70 70 dd 1H J 9 15 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccnc(CCc2nc(Nc3ccc(C4CCNCC4)cc3)ncc2C(F)(F)F)c1
ir: 1 3 3 3 3 3 5 3 7 5 5 5 6 9 14 14 7 13 14 10 24 14 8 7 16 10 39 12 17 6 10 4 10 13 16 20 12 55 32 16 22 45 15 16 10 4 3 4 7 20 7 2 3 10 17 27 19 6 4 3 6 4 4 2 8 6 3 15 11 5 4 3 4 8 8 3 2 2 2 1 4 2 1 1 2 2 2 1 2 2 2 1 2 2 7 4 6 22 9 13 10 4 4 4 35 7 13 4 2 4 7 9 9 11 18 13 14 23 6 9 2 2 2 5 9 5 4 9 6 6 6 5 3 5 1 24 8 17 8 8 29 2 1 4 8 58 42 19 21 26 7 17 34 38 18 1 9 14 66 24 6 2 16 22 14 2 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 3 3 2 2 4 3 2 2 3 4 9 9 12 21 20 20 16 4 3 3 2 1 2 2 1 1 4 3 2 3 5 11 34 52 57 10 8 6 35 92 58 100 20 12 22 35 4 3 2 1 1 2 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 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 86 86 s 1H | 86 85 d 1H J 51 | 84 83 q 1H J 24 | 76 76 dd 1H J 21 50 | 75 74 dt 1H J 8 20 | 73 73 m 4H | 71 71 m 2H | 34 33 m 2H | 32 31 m 4H | 28 28 dddd 2H J 27 38 53 134 | 28 27 m 1H | 24 23 p 1H J 38 | 22 21 dtd 2H J 27 57 139 | 17 16 dtd 2H J 27 57 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(C(=O)N(C)[C@@H]2Cc3ccc(Br)cc3C2)cc1
ir: 7 8 24 3 3 2 1 2 1 1 1 1 5 2 6 4 3 2 1 1 1 1 1 2 3 1 4 4 3 3 1 4 4 8 6 4 3 20 54 10 8 3 1 2 1 1 2 2 2 1 2 7 16 4 11 27 53 15 8 3 2 3 2 0 2 3 3 7 14 3 2 5 3 2 3 3 1 1 2 6 1 0 1 1 1 4 8 8 2 3 31 2 4 2 4 2 1 2 5 4 2 2 2 1 2 2 3 3 6 9 5 2 1 3 3 10 11 9 14 21 11 8 12 22 11 30 10 7 1 4 7 3 2 27 11 8 7 2 3 3 17 2 3 3 22 74 16 5 21 29 46 45 12 6 2 3 1 1 1 1 1 0 11 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 2 2 1 2 2 5 10 5 1 3 3 3 3 11 30 15 8 38 100 39 19 10 6 4 3 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 77 76 m 2H | 73 73 m 1H | 73 73 s 1H | 70 70 m 3H | 41 40 tddd 1H J 15 40 55 73 | 40 40 t 2H J 64 | 33 32 tdd 2H J 50 58 88 | 31 30 m 2H | 29 29 d 3H J 15 | 18 17 p 2H J 66 | 15 14 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cc(Cl)ncc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
ir: 6 7 12 4 1 9 8 8 8 7 13 12 15 14 8 9 10 9 7 4 8 11 9 8 9 13 11 10 28 16 21 15 10 13 21 16 23 24 21 4 4 16 56 12 26 21 5 6 13 6 5 9 6 6 5 2 5 8 4 5 9 10 8 4 8 24 10 5 5 7 3 4 6 7 3 6 10 6 3 2 5 6 3 2 7 9 4 3 5 5 2 4 10 7 11 4 7 5 3 5 5 3 0 3 7 4 2 11 16 13 5 35 11 10 1 6 7 5 5 14 7 9 8 9 12 5 4 10 14 11 4 16 17 6 4 13 23 9 3 7 11 8 34 96 53 8 8 9 33 46 9 6 6 4 3 10 10 23 16 7 5 6 36 12 4 1 3 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 2 3 5 5 3 4 5 4 1 3 5 5 2 4 6 6 8 20 8 8 35 10 8 4 0 3 6 3 0 4 5 3 1 5 6 4 3 7 8 5 5 12 26 51 46 100 47 52 14 20 11 5 5 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 4 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 87 87 s 1H | 66 66 s 1H | 62 62 t 1H J 38 | 58 58 d 1H J 73 | 43 42 dq 1H J 58 73 | 35 34 qd 2H J 38 61 | 15 14 d 3H J 57 | 14 14 s 8H | 13 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCCn2cncn2)ccc1Oc1cccc(F)n1
ir: 1 2 1 1 0 3 2 5 5 8 3 1 2 2 2 1 0 1 1 1 1 1 1 1 2 2 1 1 1 1 1 0 0 1 2 8 11 22 19 22 11 21 5 1 1 2 1 1 2 2 1 1 2 1 4 8 7 5 3 1 1 1 1 2 2 3 5 13 6 3 5 2 2 1 6 7 4 100 6 6 3 2 5 6 1 1 4 10 6 5 6 5 3 10 14 2 5 20 17 5 9 17 2 2 3 2 2 15 13 3 0 2 4 4 1 6 4 3 7 10 26 9 6 4 3 6 5 5 1 3 1 4 1 0 0 1 1 1 0 1 2 1 1 2 1 1 9 7 2 3 6 3 3 5 3 1 1 1 0 0 0 2 8 0 0 0 0 1 1 0 4 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 1 1 0 1 2 2 2 2 2 6 4 4 3 3 2 3 3 8 17 19 15 28 96 58 28 41 21 7 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dt 1H J 9 16 | 78 78 d 1H J 18 | 76 75 td 1H J 49 75 | 71 70 ddd 1H J 11 75 101 | 69 68 m 1H | 68 67 dd 1H J 13 75 | 67 67 dt 2H J 9 89 | 42 41 td 2H J 8 65 | 39 39 s 2H | 28 27 tt 2H J 9 83 | 22 21 tt 2H J 65 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(=O)n(CCCCCC(C)(C)O)c(=O)c2[nH]cnc21
ir: 6 5 4 6 9 3 1 5 4 4 1 3 4 3 1 2 3 1 0 2 3 1 1 3 3 2 1 3 3 1 2 4 5 9 4 7 4 2 3 5 10 10 7 12 2 2 3 2 9 1 4 3 2 1 3 3 3 3 3 16 7 4 12 27 6 7 6 7 4 2 5 5 2 5 3 22 41 9 14 8 3 4 3 4 3 3 5 3 1 4 15 10 11 6 8 37 11 3 4 18 15 9 7 8 4 25 52 19 2 17 10 8 6 16 24 15 10 15 38 72 26 7 16 19 27 10 21 7 29 10 27 8 3 6 4 2 2 3 3 2 2 3 4 2 2 6 18 21 4 8 23 47 4 2 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 2 1 2 4 4 7 6 7 5 3 15 9 10 8 6 8 10 15 22 86 83 41 13 5 7 100 10 7 4 3 14 8 4 4 37 30 21 4 4 3 2 1 3 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 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: 83 82 d 1H J 70 | 43 42 q 2H J 81 | 38 38 t 2H J 65 | 25 25 s 1H | 17 16 m 2H | 15 14 m 2H | 15 13 m 8H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCc1cc2c(F)ccc(F)c2o1
ir: 1 3 4 2 1 2 3 2 1 3 6 3 3 5 14 17 3 8 10 9 10 9 7 2 0 3 3 1 1 3 3 1 1 4 5 8 6 19 36 8 1 7 6 62 59 7 4 3 4 4 4 1 12 30 81 45 11 5 5 6 5 3 6 5 4 6 13 13 9 11 9 5 4 3 4 3 3 3 2 2 2 2 2 2 2 3 18 4 1 2 2 2 2 6 11 20 7 5 6 7 34 16 20 11 19 10 4 2 5 4 11 5 3 2 2 2 3 3 4 8 19 14 12 41 11 14 16 7 12 3 5 4 6 7 1 5 6 4 22 87 37 15 12 25 86 17 24 3 7 37 27 3 2 1 2 3 11 13 4 14 4 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 3 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 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 3 2 4 4 8 6 10 4 11 5 6 4 7 5 6 8 7 32 24 31 31 100 86 69 9 3 3 6 4 3 3 2 2 2 2 2 1 3 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 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 dtd 2H J 49 103 336 | 70 70 m 1H | 53 53 d 2H J 9 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(CN2CCN(CC3CCCCC3)CC2)cc1
ir: 15 16 7 10 5 6 5 3 3 2 6 4 2 2 2 2 2 1 3 3 1 2 2 2 2 2 2 3 2 2 2 2 1 2 2 2 2 2 6 2 2 2 2 2 2 2 2 2 4 4 3 2 5 5 3 13 34 7 6 0 2 2 1 1 2 3 1 1 2 5 2 1 2 2 1 1 2 9 9 4 36 18 100 10 1 1 4 6 3 3 2 2 1 2 2 2 1 7 6 7 15 3 6 2 2 4 19 3 2 3 4 3 4 3 2 3 2 3 2 2 3 2 2 2 1 2 2 3 1 3 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 9 3 9 5 34 4 3 2 2 2 4 33 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 3 2 3 2 2 1 3 6 5 2 11 7 5 4 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 11 28 3 1 1 1 1 1 2 1 2 5 37 14 9 4 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; 1HNMR: 72 71 dt 2H J 9 80 | 66 66 m 2H | 45 44 s 2H | 37 36 t 2H J 9 | 27 27 m 4H | 26 26 m 4H | 23 23 d 2H J 51 | 16 13 m 10H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1cc(-c2cnc3[nH]c(=O)oc3c2)c2ccc(F)cc21
ir: 8 3 12 13 8 7 3 7 11 12 25 33 28 15 5 5 3 3 2 3 3 6 5 4 2 4 11 7 3 3 4 3 3 4 9 11 5 5 5 8 3 3 3 2 1 2 2 2 2 2 2 2 2 0 21 28 3 4 3 3 5 7 16 11 16 21 8 9 10 3 5 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 3 3 5 8 2 2 10 3 3 3 15 6 3 2 2 3 3 7 2 2 2 2 1 2 2 2 2 3 4 20 13 11 9 8 6 16 10 23 12 15 7 4 10 7 5 2 3 9 3 2 2 2 2 2 2 1 2 5 6 1 5 29 30 6 8 25 100 31 56 62 17 7 3 0 3 12 17 0 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 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 3 3 2 2 2 2 2 2 2 1 3 5 3 10 8 7 9 35 27 16 13 10 4 3 3 2 2 2 2 1 2 3 2 1 2 3 2 2 3 4 19 29 7 3 2 3 2 3 2 3 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 96 96 s 1H | 84 83 s 1H | 82 81 dd 1H J 50 77 | 81 80 d 1H J 16 | 79 78 d 1H J 18 | 76 75 dd 1H J 22 121 | 72 71 ddd 1H J 21 78 102 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC[C@H]1CC[C@H](O)CC1
ir: 13 7 7 8 14 11 5 5 4 4 4 7 8 7 7 4 4 4 3 3 3 3 3 3 4 3 4 7 4 5 3 5 5 3 3 3 4 6 6 5 4 3 3 5 3 4 4 4 5 3 8 7 9 7 6 4 7 3 9 11 4 3 4 5 6 3 6 12 5 5 17 17 12 5 8 6 11 8 6 6 6 7 10 13 19 41 24 56 100 9 27 12 9 6 14 8 2 4 4 7 2 4 8 8 5 22 25 19 16 9 15 12 6 6 7 6 8 5 5 6 5 8 8 16 7 6 15 10 7 7 5 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 1 2 4 2 1 3 5 0 18 22 1 3 3 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 4 4 3 5 5 6 9 13 12 9 4 6 9 7 8 8 25 38 14 7 8 5 2 5 7 7 7 84 81 17 15 4 7 5 5 3 3 4 5 4 2 4 3 4 3 3 3 3 3 4 4 5 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 38 37 m 1H | 28 28 d 1H J 57 | 25 24 d 2H J 59 | 18 16 m 3H | 16 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1cccc(CO)c1=O
ir: 2 1 2 10 5 3 2 1 3 3 2 2 5 3 2 2 3 3 2 2 2 1 1 2 1 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 5 29 6 2 1 1 3 1 1 1 1 2 1 0 1 1 1 1 2 2 1 2 3 3 1 1 1 1 1 0 1 1 1 3 1 1 1 1 1 2 3 5 7 8 15 8 4 7 4 4 10 6 3 2 2 2 1 1 2 1 0 1 10 7 1 1 1 3 2 1 2 1 0 1 2 4 1 1 1 1 2 1 1 0 1 1 1 1 1 1 2 3 1 1 3 3 8 17 2 0 1 2 18 4 1 1 1 0 0 1 1 1 5 3 1 6 2 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 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 3 7 16 12 7 9 1 28 100 9 10 4 2 2 1 1 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dq 1H J 13 79 | 73 72 dq 1H J 9 75 | 63 62 tt 1H J 10 78 | 45 44 dt 2H J 11 58 | 38 37 m 3H | 16 16 p 2H J 67 | 14 13 dtd 2H J 64 73 141 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1c(SC)nc2cccnc21
ir: 1 1 1 2 1 1 1 1 1 1 4 4 2 3 2 1 10 4 3 1 1 0 1 20 1 1 1 7 1 1 1 1 1 1 3 2 3 2 12 56 2 4 2 2 1 1 1 1 3 1 1 1 1 0 1 1 3 1 2 3 5 2 10 4 2 3 7 15 1 1 1 1 1 1 1 1 2 0 1 3 1 0 1 1 1 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 7 4 1 1 1 2 1 2 3 2 3 2 5 3 2 2 3 3 4 6 11 2 1 1 2 2 1 2 5 2 2 1 0 2 7 100 8 14 4 7 5 1 0 1 1 0 2 27 1 0 1 1 7 8 1 1 3 10 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 2 3 26 3 4 16 30 6 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 dd 1H J 22 38 | 80 80 dd 1H J 21 67 | 74 74 dd 1H J 38 66 | 43 43 t 2H J 46 | 39 38 t 2H J 46 | 35 35 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc4c(c3)CN(CC3COC3)CCC4)ncc2F)C1
ir: 3 6 3 7 9 8 4 8 9 3 6 17 4 7 6 5 7 3 6 19 13 4 4 3 6 10 18 19 6 5 5 2 3 2 2 3 4 14 30 68 100 29 9 3 4 12 15 9 4 5 4 12 7 14 13 9 15 7 2 4 3 3 2 1 2 5 2 4 8 2 2 2 1 2 6 7 4 3 3 5 6 2 3 2 5 5 6 9 16 7 9 4 5 6 14 5 2 2 3 4 2 5 7 5 6 33 5 2 3 3 5 5 13 8 7 7 7 13 8 3 3 5 5 3 4 4 5 13 3 8 5 6 5 8 4 2 3 6 11 22 7 5 14 13 4 4 9 21 10 7 5 2 48 50 5 18 6 22 1 5 3 0 1 5 26 2 2 3 2 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 1 1 1 2 2 1 2 2 2 3 3 4 2 2 3 10 4 5 6 7 11 8 10 7 4 5 2 2 4 4 3 2 2 2 2 2 1 2 2 4 3 2 3 4 7 27 46 48 41 13 5 3 2 1 3 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 80 80 d 1H J 141 | 73 72 dt 1H J 9 20 | 72 71 dd 1H J 22 77 | 70 69 dt 1H J 9 79 | 64 63 m 1H | 62 61 dd 1H J 46 101 | 59 58 dd 1H J 23 169 | 58 57 dd 1H J 24 115 | 40 39 m 1H | 38 37 m 3H | 36 36 d 2H J 7 | 36 34 m 5H | 28 27 td 2H J 8 89 | 27 27 d 2H J 49 | 27 26 t 2H J 67 | 25 25 hept 1H J 46 | 20 19 dddd 1H J 39 62 88 129 | 19 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(-c2cnn([C@H](CC#N)C3CCCC3)c2)c2c(I)c[nH]c2n1
ir: 8 8 2 6 7 3 1 4 7 4 3 4 9 7 9 6 8 4 6 6 7 3 4 7 6 3 5 4 4 2 2 7 5 8 4 7 5 5 3 6 5 7 6 11 12 12 7 22 76 13 6 6 5 5 5 22 19 8 5 7 5 5 10 7 3 3 5 4 6 5 10 15 6 15 9 9 7 7 6 4 2 5 5 4 2 2 5 8 12 5 18 14 2 18 12 4 2 3 4 4 3 3 7 5 13 33 18 16 36 46 14 39 17 18 19 18 13 8 16 12 11 18 10 5 7 13 24 5 8 5 13 5 4 5 8 6 5 5 5 9 26 13 4 2 2 12 4 1 2 3 3 1 2 4 3 1 4 25 4 0 2 4 3 12 14 6 3 1 2 5 3 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 4 2 2 4 3 2 2 4 4 1 4 5 4 5 6 7 5 5 9 8 16 10 15 16 32 51 25 65 61 29 18 49 13 9 9 8 4 2 4 5 2 1 3 4 2 2 4 6 2 3 100 25 3 4 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 91 90 d 1H J 62 | 82 82 s 1H | 79 78 d 1H J 62 | 78 77 d 1H J 9 | 45 45 m 1H | 40 40 s 2H | 29 29 dd 1H J 31 115 | 27 26 dd 1H J 31 115 | 22 21 dp 1H J 39 48 | 18 16 m 4H | 16 15 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCCN)ccc1N
ir: 22 26 6 34 17 18 8 10 6 2 6 7 7 5 6 9 8 10 5 5 6 2 1 4 3 1 3 4 3 1 2 7 5 6 5 8 10 2 2 6 3 1 2 4 3 2 4 7 3 2 4 25 13 8 15 46 12 8 13 9 33 12 22 4 18 4 15 17 11 19 28 48 48 36 30 24 16 7 7 17 5 5 9 6 3 2 3 4 3 5 6 6 3 3 6 3 1 2 4 4 10 7 7 2 2 2 3 2 2 3 4 3 1 4 5 7 9 7 13 6 6 9 15 10 14 9 11 9 6 7 16 23 56 34 51 48 21 12 4 4 2 3 3 2 1 3 2 2 4 6 6 12 13 20 11 90 61 69 58 3 3 4 29 6 4 3 2 0 1 3 2 0 1 2 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 3 4 3 2 5 7 7 28 12 15 14 12 11 5 3 1 2 4 2 6 12 8 26 22 33 36 33 29 23 19 29 23 33 41 15 6 14 34 100 82 48 88 48 8 3 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 3 4 4 2 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 69 68 d 1H J 87 | 67 67 dd 1H J 22 86 | 66 66 m 1H | 43 43 s 2H | 41 41 t 2H J 41 | 32 31 tt 2H J 41 69 | 22 22 s 3H | 18 17 t 2H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(CN1CCCC1=O)c1ccc(OC(F)(F)F)cc1
ir: 3 3 3 1 0 1 9 1 1 3 4 2 2 3 5 4 14 10 12 17 18 22 3 3 4 3 4 1 1 2 1 1 4 5 3 1 2 3 2 3 5 12 10 3 1 6 3 1 1 4 1 1 5 32 43 25 49 47 10 30 3 1 1 4 3 3 36 18 39 5 3 1 2 3 9 8 37 34 46 13 17 12 6 7 6 5 1 2 4 4 3 1 5 9 12 69 1 6 51 14 5 12 14 2 2 2 3 6 6 6 14 7 2 6 4 10 3 11 6 23 36 24 19 21 11 22 14 11 9 14 18 50 42 73 9 6 3 2 1 2 4 0 1 2 4 0 2 7 100 34 6 2 7 7 4 1 1 1 1 1 1 1 3 0 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 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 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 11 3 1 5 7 4 6 7 10 20 32 22 7 1 2 2 1 2 1 2 1 6 9 19 22 40 10 10 10 10 10 14 28 85 13 0 1 1 1 0 0 1 0 0 1 0 1 1 0 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 73 72 m 2H | 72 72 m 2H | 45 45 m 1H | 39 39 dd 1H J 42 130 | 37 36 dd 1H J 41 131 | 35 34 m 2H | 30 29 d 2H J 66 | 25 24 t 2H J 57 | 20 19 tt 2H J 45 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(-c3ccccc3)cc12
ir: 0 1 0 1 0 1 1 1 1 1 1 2 1 10 1 0 1 1 1 0 2 1 1 0 0 0 1 0 1 3 4 5 4 1 1 0 0 2 1 1 2 14 2 1 0 1 1 0 0 1 0 0 0 1 4 1 0 0 0 1 4 1 0 0 1 1 9 9 3 3 1 0 0 1 2 2 1 1 1 1 0 0 0 0 8 1 2 4 2 1 0 0 1 0 0 0 0 1 1 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 2 0 0 1 1 8 1 1 0 1 1 1 0 2 6 0 0 1 0 1 3 7 1 2 6 5 2 1 0 1 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 4 3 4 100 5 2 6 4 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 83 83 d 1H J 24 | 81 81 d 1H J 69 | 79 78 dd 1H J 24 70 | 78 78 t 1H J 13 | 78 78 t 1H J 15 | 77 76 m 3H | 75 74 m 4H | 74 73 m 1H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)C(O)(c1ccccc1)C(F)(F)F
ir: 8 12 14 13 13 4 4 8 10 7 5 7 6 6 2 7 9 7 6 9 11 3 1 5 7 2 4 8 9 3 25 10 22 20 12 6 11 5 4 18 11 37 100 14 5 1 3 8 5 2 9 14 11 1 4 10 11 13 6 9 6 0 19 47 68 14 27 43 67 79 66 49 31 18 15 11 6 12 37 71 83 54 34 31 52 75 92 96 31 42 38 42 17 8 17 24 13 21 15 9 16 21 20 16 15 10 7 7 5 7 8 4 2 4 9 8 1 8 10 7 6 7 23 24 20 22 21 30 15 33 31 18 43 32 69 34 19 16 10 3 4 9 7 9 32 30 29 6 4 5 4 1 5 13 6 3 3 5 4 1 4 9 5 1 3 8 4 1 3 5 4 1 3 6 3 1 3 6 3 1 3 5 3 1 3 6 3 1 4 5 2 2 4 5 2 1 4 5 2 3 4 4 2 2 5 4 2 2 5 4 1 2 4 4 1 2 5 4 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 4 2 2 4 4 2 1 4 4 2 2 4 5 3 2 5 4 2 3 4 5 3 4 6 5 4 4 6 5 4 4 8 6 4 4 7 6 5 16 14 26 45 50 46 74 26 14 7 7 7 72 83 67 33 10 12 18 18 39 36 45 18 23 17 10 45 45 41 1 1 7 6 2 3 6 5 1 3 6 5 1 2 6 4 1 2 5 3 1 2 5 3 1 3 5 3 0 3 6 3 1 3 6 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1; 1HNMR: 75 74 m 2H | 73 72 m 2H | 71 70 m 1H | 43 42 q 1H J 33 | 38 37 dtp 1H J 25 49 74 | 28 28 d 2H J 51 | 13 13 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1nc(-c2ccccc2)nc2ccccc12
ir: 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 6 12 8 2 5 37 25 6 2 1 1 1 1 1 2 14 17 0 5 3 1 1 1 1 0 1 25 12 14 5 2 1 0 1 7 2 3 2 1 1 1 1 1 1 1 1 2 6 1 1 1 2 1 2 2 1 3 3 1 2 3 3 5 8 11 6 2 3 1 4 7 3 1 1 1 1 1 1 1 1 2 3 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 3 9 1 1 1 1 1 3 1 1 1 2 1 2 12 1 1 1 1 2 1 1 5 5 1 2 1 49 6 2 6 15 5 1 3 2 5 4 2 4 2 3 7 1 7 1 1 3 1 1 1 1 9 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 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 2 3 3 12 16 9 6 4 2 1 3 1 3 100 34 6 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 m 2H | 84 83 m 1H | 82 81 dd 1H J 16 73 | 78 78 td 1H J 13 72 | 76 76 ddd 1H J 13 69 97 | 76 75 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCc1cccnc1
ir: 1 1 4 8 1 0 1 0 0 2 1 0 0 1 1 1 0 1 1 0 0 2 2 1 0 1 2 2 0 2 4 1 1 9 11 2 1 1 1 2 5 1 2 4 3 2 2 7 4 2 2 2 10 4 1 1 4 2 1 4 7 3 7 7 2 2 1 1 1 5 10 1 2 24 9 2 1 3 2 0 3 12 12 1 1 0 1 1 0 1 1 1 2 2 0 0 1 2 1 0 1 0 0 0 1 0 0 1 1 1 1 2 16 2 3 2 2 2 1 1 1 8 8 14 2 1 2 3 3 1 2 3 38 41 13 9 13 7 2 6 2 0 0 1 1 1 1 1 1 0 0 1 1 3 0 1 1 0 3 2 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 9 9 3 1 0 1 1 1 1 1 1 5 10 7 11 20 16 8 1 2 1 3 100 97 4 2 1 1 0 1 1 0 0 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 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 0 0 0 0 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: 85 84 m 2H | 75 74 dtt 1H J 9 18 77 | 72 72 dd 1H J 43 77 | 28 27 m 4H | 19 18 tt 2H J 53 85 | 12 12 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CCl)oc23)ccn1
ir: 4 3 2 3 5 7 2 1 2 2 1 2 8 12 2 5 8 3 5 2 2 1 2 4 3 1 1 3 4 5 6 6 9 2 7 63 52 41 11 6 7 7 10 6 7 7 7 5 14 64 17 0 2 9 2 1 2 2 2 1 2 3 7 20 19 9 8 22 23 11 9 4 5 10 11 11 13 2 9 19 7 8 7 4 3 2 1 2 6 18 2 2 2 6 4 3 4 5 4 2 2 2 14 9 3 2 2 2 4 4 5 8 2 2 2 2 2 3 2 6 7 3 1 4 8 4 6 7 10 8 5 4 2 5 6 2 2 2 2 5 12 8 48 58 9 97 14 9 6 42 100 16 10 17 29 62 7 3 1 3 7 19 3 3 4 36 37 2 3 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 2 4 2 1 1 3 6 3 2 3 4 4 3 7 10 14 9 11 10 33 45 30 7 3 4 2 2 2 1 1 2 1 1 2 2 1 2 4 4 2 7 32 43 20 12 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 s 1H | 83 83 d 1H J 47 | 79 78 q 1H J 10 | 77 77 d 1H J 21 | 71 71 dd 1H J 22 46 | 68 68 t 1H J 9 | 48 48 d 2H J 7 | 36 36 d 3H J 11 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccncc1N1CCN(c2cccc(C(F)(F)F)c2)C1=O
ir: 3 5 5 4 4 5 18 5 3 5 5 5 5 9 10 19 7 7 5 7 3 4 5 4 4 5 5 4 4 4 6 9 13 9 5 5 19 9 35 5 4 7 10 3 6 8 7 6 24 6 28 11 7 5 7 8 7 5 5 3 4 5 4 4 6 10 15 8 14 8 6 16 6 9 15 10 5 6 7 4 11 12 13 5 5 6 6 5 6 7 10 6 6 6 2 15 4 4 15 16 17 5 4 4 6 6 9 7 5 6 9 27 100 33 0 10 7 6 4 5 7 4 4 7 15 6 7 10 29 7 5 5 7 5 9 51 10 6 4 5 8 32 12 26 7 4 4 6 5 4 5 5 9 14 53 9 18 8 7 5 28 3 8 6 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 5 6 4 4 5 5 5 6 5 5 4 5 5 6 6 23 10 18 60 62 9 6 6 5 5 4 4 4 5 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 86 86 d 1H J 14 | 81 81 dd 1H J 13 49 | 77 77 m 1H | 74 74 m 2H | 73 72 m 1H | 70 70 m 1H | 41 40 m 1H | 41 41 s 3H | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1=C(Nc2ccc(F)cc2)CCCC1
ir: 6 7 9 15 10 8 5 7 12 22 16 9 5 4 4 7 7 8 8 12 8 8 6 7 9 5 6 6 5 13 6 7 16 18 19 6 6 3 4 5 6 3 3 4 4 3 4 6 6 3 7 8 4 10 19 18 35 1 6 7 4 0 3 5 4 1 4 6 6 4 3 4 2 2 4 5 3 2 3 4 2 2 4 4 3 4 6 8 4 5 8 3 3 3 4 3 2 3 6 5 2 5 4 7 12 15 19 28 36 11 6 5 2 6 7 6 4 5 4 4 2 4 9 4 9 4 6 4 3 6 5 4 4 5 13 17 5 5 7 6 5 5 5 3 5 4 12 41 8 6 6 6 4 9 26 46 26 13 7 6 3 4 4 11 6 5 3 1 2 5 3 1 3 4 3 1 3 5 2 0 3 5 22 16 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 4 2 2 4 3 2 3 4 4 6 4 5 4 3 3 6 4 4 5 7 11 5 18 46 28 11 9 4 5 5 4 5 4 2 4 4 3 3 4 5 5 4 15 17 14 21 68 100 53 38 15 11 8 4 5 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2; 1HNMR: 86 86 s 1H | 72 71 m 2H | 71 70 m 2H | 25 25 tdd 2H J 10 21 51 | 22 22 dddt 2H J 9 20 42 53 | 18 17 ddd 4H J 21 35 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON1CCC(N)(C(=O)O)CC1
ir: 0 0 1 0 1 0 1 4 4 3 3 2 6 6 0 2 2 3 2 3 3 25 11 41 7 9 6 1 0 2 1 1 3 2 1 0 0 0 1 0 2 1 2 1 0 1 0 0 0 0 0 0 1 1 2 2 3 3 3 4 4 3 3 2 17 25 10 3 5 2 1 5 5 1 2 2 3 24 7 26 44 4 0 1 1 1 9 2 5 4 3 14 3 2 3 7 3 2 2 1 2 2 1 1 1 1 0 0 1 0 0 0 1 1 1 3 4 3 1 2 2 1 1 1 2 2 6 5 3 2 9 22 44 13 3 3 1 0 0 0 1 2 1 4 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 1 1 0 1 1 1 2 1 1 1 1 1 1 2 7 2 1 1 0 0 0 1 0 0 1 3 9 100 35 2 4 3 15 5 3 1 2 2 6 49 16 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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: 42 41 s 2H | 34 34 s 2H | 31 30 ddd 2H J 33 60 134 | 29 28 ddd 2H J 33 60 134 | 22 21 ddd 2H J 33 60 141 | 19 19 ddd 2H J 33 60 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C(=O)NC(c2ccccn2)=NC1(C)c1ccc(F)cc1F
ir: 5 6 10 11 15 3 4 5 5 7 4 1 1 2 5 6 1 5 4 4 4 3 1 1 2 1 1 3 2 1 1 1 1 4 3 8 2 5 23 40 9 7 14 36 18 8 6 5 3 3 3 3 2 8 33 21 4 3 3 2 2 2 2 2 9 8 6 21 6 5 3 1 1 2 2 1 1 4 3 3 3 3 6 2 2 2 0 1 1 3 1 0 2 3 5 2 2 3 3 1 1 2 1 1 1 3 6 3 5 1 1 1 3 2 1 3 4 5 1 2 5 6 7 4 4 8 21 6 10 6 18 23 41 76 23 5 1 3 1 1 2 1 2 8 17 2 1 7 5 1 8 18 5 9 46 100 11 3 3 3 2 2 4 1 1 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 0 2 2 1 2 7 10 4 6 5 5 10 51 47 8 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 7 17 22 20 2 5 5 4 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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: 97 97 s 1H | 87 86 dd 1H J 16 42 | 81 81 dd 1H J 13 72 | 80 80 ddd 1H J 14 42 73 | 77 76 td 1H J 17 72 | 74 73 ddd 1H J 44 52 68 | 69 68 m 2H | 42 41 p 2H J 63 | 40 40 q 1H J 15 | 19 19 d 3H J 14 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)C(C)=C(C)C2OCC(=O)Nc2ccccn2)cc1
ir: 7 5 4 6 3 3 4 3 4 4 2 2 3 4 11 22 6 4 7 3 4 5 3 2 3 1 3 3 2 3 7 4 10 13 4 8 22 6 43 73 100 37 28 5 5 9 6 4 6 6 5 16 22 29 37 18 25 10 2 8 2 3 6 7 17 5 17 3 6 20 13 8 2 5 6 2 3 4 5 3 5 5 13 5 3 2 4 11 5 4 4 4 29 2 6 4 4 13 13 4 2 1 2 1 1 1 3 1 2 1 2 1 4 2 4 23 12 5 10 13 18 15 5 3 4 9 3 3 3 3 2 5 10 10 3 13 26 13 6 1 0 3 3 6 17 13 37 63 83 51 13 6 10 4 24 12 31 8 48 5 5 4 4 3 1 0 1 1 0 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 0 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 3 1 1 2 2 5 4 5 3 2 3 4 3 8 16 16 14 58 31 32 8 11 4 1 2 3 1 1 1 1 1 0 1 2 2 2 3 1 5 15 13 18 46 14 8 2 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 82 82 dd 1H J 16 42 | 78 78 ddd 1H J 16 70 77 | 78 77 dd 1H J 16 76 | 72 72 dt 2H J 9 85 | 71 70 ddd 1H J 15 44 70 | 68 68 m 2H | 59 58 m 1H J 10 | 48 48 dt 1H J 9 131 | 45 45 dt 1H J 9 132 | 44 44 d 1H J 152 | 43 42 d 1H J 152 | 38 38 s 2H | 19 19 p 3H J 11 | 19 18 p 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1n[nH]c2ccc(OC(F)(F)F)cc12
ir: 7 7 8 4 5 7 3 3 4 4 2 4 5 4 3 6 7 5 2 4 4 2 2 4 5 9 4 3 4 5 13 21 3 3 8 5 14 21 2 3 3 1 4 6 4 4 4 4 2 1 2 3 3 3 15 8 3 2 4 50 5 1 3 4 2 1 5 17 2 3 6 5 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 3 3 2 3 6 43 5 4 5 8 53 100 43 33 21 7 35 19 6 13 52 3 19 3 0 2 5 2 0 2 5 6 11 7 8 3 1 3 4 2 1 3 3 2 1 3 3 2 2 4 3 2 1 3 3 3 4 10 4 1 1 3 3 2 5 4 3 19 14 24 4 0 2 4 4 1 3 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 2 3 3 3 1 2 4 2 1 2 3 2 1 2 5 3 2 9 25 13 6 6 4 2 1 3 4 3 2 3 3 2 1 3 3 2 2 3 4 2 3 3 3 3 9 41 10 10 2 3 3 1 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 100 100 s 1H | 78 78 d 1H J 27 | 77 77 d 1H J 70 | 73 73 dd 1H J 27 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nn(-c2cc(Br)cc(S(C)(=O)=O)c2)c2ncccc12
ir: 3 10 17 12 2 3 6 4 27 50 48 24 6 4 8 5 4 4 8 5 3 8 6 3 11 4 3 3 3 8 40 3 3 4 10 11 13 23 31 29 11 6 5 2 3 8 4 7 4 4 3 1 3 5 4 2 3 7 4 10 3 10 19 12 10 13 85 22 21 30 10 2 7 10 5 2 6 4 4 3 5 5 6 4 16 49 21 3 4 7 8 10 33 6 42 6 17 6 3 3 5 4 3 9 18 22 17 3 7 8 0 3 4 3 2 3 3 5 10 10 11 36 20 81 70 36 8 13 14 62 13 12 5 3 3 4 5 12 4 18 6 3 4 4 19 3 2 7 7 12 10 9 5 5 6 100 5 4 8 5 6 4 5 5 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 7 8 2 2 4 4 3 3 4 4 3 5 6 8 23 15 13 56 58 44 30 14 4 5 6 4 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3; 1HNMR: 88 87 dd 1H J 21 34 | 85 85 dd 1H J 21 80 | 82 82 p 2H J 22 | 79 79 t 1H J 21 | 74 74 dd 1H J 34 80 | 40 39 s 3H | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(Cl)c2ccccc12
ir: 0 4 7 4 0 4 7 3 1 5 11 13 2 9 6 4 3 10 8 23 4 25 10 5 45 57 75 7 15 8 8 2 2 6 5 1 2 8 6 0 2 9 15 22 41 6 7 17 10 10 4 3 3 8 4 3 5 6 4 2 4 10 5 2 5 11 6 12 20 27 7 2 6 10 8 4 9 6 3 2 5 5 3 2 6 14 12 6 10 6 3 3 5 5 2 3 6 5 3 8 6 5 2 5 7 8 3 5 6 4 3 6 8 6 3 6 12 24 14 7 6 4 3 4 5 4 3 5 10 18 33 17 41 37 38 10 8 2 1 6 7 57 54 8 6 2 3 9 10 12 7 20 5 2 4 8 15 7 23 30 6 1 3 6 15 4 7 6 4 1 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 6 6 2 3 6 4 1 3 7 5 2 4 8 7 6 15 19 31 87 100 12 5 4 4 5 4 3 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5; 1HNMR: 82 82 d 1H J 9 | 81 80 dd 1H J 14 84 | 80 80 m 1H | 76 76 td 1H J 13 80 | 76 75 td 1H J 15 78 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)c1ncc(C(=O)c2cc(F)c(C)cc2OC)c(N)n1
ir: 3 2 3 3 2 4 4 5 3 1 2 3 2 3 3 2 3 2 1 1 1 1 1 1 2 1 2 2 1 1 1 3 1 2 1 2 3 2 2 2 1 2 1 2 1 1 1 1 2 1 4 29 3 3 1 2 1 1 3 3 2 1 1 2 2 2 1 3 3 1 3 1 1 1 2 1 1 1 1 4 2 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 5 2 1 0 2 0 1 1 1 1 1 1 1 0 1 1 3 0 16 1 1 1 1 0 1 1 1 1 1 1 1 4 4 1 2 1 1 1 7 3 2 4 2 8 13 10 2 2 2 1 57 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 2 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 4 3 0 1 1 0 0 1 1 0 0 3 8 100 4 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 79 78 s 2H | 75 74 d 1H J 121 | 71 70 dd 1H J 7 43 | 39 39 s 3H | 33 32 q 2H J 87 | 23 23 d 3H J 36 | 17 16 t 3H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC1CCC(C2CCC(CC(=O)Cl)CC2)CC1
ir: 1 3 4 7 9 10 4 4 5 6 2 2 1 2 2 1 1 1 3 1 0 1 2 1 1 2 1 1 1 2 2 3 3 7 5 3 6 9 7 7 15 8 5 2 1 3 2 2 3 4 2 3 6 8 2 3 2 4 2 1 1 2 1 1 1 1 1 1 3 3 2 1 2 3 4 2 3 3 2 1 1 1 3 3 6 11 4 1 3 3 2 1 3 4 2 2 5 3 4 12 10 9 13 34 25 29 25 16 25 33 14 23 13 3 10 2 10 11 20 21 23 8 4 7 9 6 2 5 5 3 3 7 9 7 16 15 22 51 24 25 4 6 4 2 3 1 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 4 3 7 12 20 18 10 10 11 6 7 12 23 9 28 100 15 17 8 3 3 3 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 28 27 d 1H J 73 | 21 20 hept 1H J 70 | 17 16 dddd 2H J 58 68 82 128 | 16 12 m 24H | 12 11 m 2H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OCC(C)(C)CC(C)(C)O
ir: 10 11 8 5 4 5 4 7 2 4 3 4 1 6 4 0 2 72 8 8 2 2 1 2 1 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 7 1 1 1 1 2 2 1 3 2 4 2 8 7 10 11 19 7 5 4 7 3 4 3 10 12 24 18 17 41 37 33 15 17 10 5 7 5 5 6 15 7 11 10 12 21 36 14 7 5 7 5 12 10 8 9 14 23 8 4 2 5 3 4 4 3 6 2 5 6 3 2 7 24 8 13 3 2 6 10 17 10 14 9 9 7 3 1 1 3 4 2 3 3 3 1 8 49 6 2 0 2 2 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 2 3 6 6 4 5 3 4 6 8 5 6 26 4 9 18 36 11 4 3 5 8 4 21 13 23 55 100 17 6 16 5 3 2 4 2 2 1 2 3 5 3 3 5 4 2 4 4 2 2 1 3 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 dq 1H J 8 17 | 56 56 dt 1H J 15 27 | 41 40 s 2H | 20 20 s 1H | 20 19 m 3H | 16 15 s 2H | 12 12 s 6H | 10 10 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC(CO)C(CO)C1
ir: 7 7 8 8 2 10 13 9 2 2 4 6 3 6 3 3 1 3 3 2 0 3 3 1 1 2 3 1 1 3 3 0 1 3 4 2 1 3 2 1 1 3 4 3 3 4 4 0 2 3 2 0 2 5 3 1 3 5 3 2 4 5 2 2 2 6 14 12 7 6 4 1 4 5 13 9 6 7 8 7 19 16 13 3 5 17 26 26 100 68 86 30 21 12 15 7 12 5 1 5 4 4 8 11 11 9 2 4 3 2 1 2 3 1 0 2 3 2 2 3 4 8 13 4 5 3 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 1 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 1 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 5 5 4 3 1 4 3 1 3 4 2 2 4 6 6 4 8 6 5 6 5 4 3 2 4 6 7 24 20 5 3 2 2 4 2 1 3 3 1 1 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 39 38 ddd 2H J 38 59 113 | 36 35 ddd 2H J 38 59 114 | 34 33 ddd 2H J 14 26 119 | 32 31 ddd 2H J 14 26 119 | 28 28 s 2H | 27 26 t 2H J 59 | 21 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CCN(C(=O)OCc2ccccc2)C1
ir: 8 7 0 26 84 43 16 16 13 5 2 4 3 11 12 2 3 1 2 4 5 3 1 2 2 1 1 3 5 11 13 4 7 4 2 3 3 5 32 87 67 19 7 4 3 1 1 4 7 3 2 2 2 2 3 15 13 2 2 4 2 1 2 16 8 7 5 2 11 14 9 11 11 5 4 3 2 4 5 2 2 2 2 2 2 2 1 5 100 48 7 8 4 2 4 4 1 4 18 5 4 1 3 2 0 2 4 4 2 3 3 23 11 29 29 17 18 9 7 5 4 8 28 5 2 2 5 4 5 11 4 2 26 52 15 13 4 4 3 1 1 2 20 18 8 6 16 3 3 7 72 80 19 12 9 4 3 2 2 1 1 2 1 1 1 3 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 3 2 3 4 6 4 1 2 4 3 1 3 13 42 48 90 68 32 27 6 5 4 3 4 3 3 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 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 73 m 6H | 56 55 dtq 1H J 9 17 35 | 52 51 s 2H | 41 40 s 1H | 40 39 m 2H | 18 17 dt 3H J 11 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cn1
ir: 0 0 0 1 1 1 2 1 0 1 1 1 0 1 1 0 1 0 1 1 2 17 12 2 1 1 1 1 3 2 1 1 2 2 1 3 2 1 1 0 1 1 0 0 1 1 1 1 0 2 3 2 2 22 49 4 6 4 3 0 0 1 0 3 1 0 0 2 2 2 1 1 1 3 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 3 1 1 0 1 1 2 5 1 0 0 1 0 1 0 0 0 0 0 0 1 0 1 1 0 0 6 10 1 1 0 1 0 1 1 0 1 0 13 1 2 1 6 4 100 5 1 3 34 7 3 10 4 2 2 1 59 3 1 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 7 4 3 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 2 7 2 2 13 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 86 86 d 1H J 53 | 84 84 d 1H J 22 | 84 84 d 1H J 19 | 84 84 s 1H | 80 80 dd 1H J 21 54 | 77 76 dd 1H J 20 82 | 68 68 d 1H J 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
ir: 1 1 1 0 0 1 1 0 0 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 4 2 1 0 0 1 1 0 0 1 1 0 5 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 2 2 4 5 3 5 2 0 1 1 1 0 1 1 1 1 1 1 3 11 38 12 2 1 1 1 1 1 2 5 1 0 0 1 0 2 1 0 0 0 0 2 2 2 1 1 0 0 1 0 1 2 1 0 0 0 1 1 1 1 1 0 1 2 1 0 7 2 4 2 1 4 9 2 1 0 0 0 0 0 1 7 1 0 0 0 0 0 1 0 0 0 0 0 0 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 1 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 5 8 3 1 0 1 2 6 100 13 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 4H | 55 54 s 2H | 17 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ncccc1-c1noc(-c2ccc(CC(C)C)cn2)n1
ir: 5 5 9 22 4 17 34 14 7 9 18 12 8 4 6 3 3 4 5 5 4 7 6 3 2 3 5 10 7 10 7 5 58 59 14 16 18 9 4 3 2 3 2 4 10 2 4 2 11 5 4 5 6 13 23 28 6 0 4 3 4 2 2 4 10 3 4 4 4 5 12 23 10 9 4 5 4 3 6 4 3 3 2 3 2 3 4 4 19 9 3 5 4 4 2 5 3 3 16 20 23 7 9 5 4 11 11 3 5 4 3 10 4 3 1 3 8 4 5 6 7 14 15 13 29 10 11 5 15 11 14 6 7 5 9 40 3 8 17 48 14 16 10 21 5 5 3 3 4 11 26 7 6 19 100 20 6 2 3 4 10 3 7 6 3 0 2 3 2 1 2 3 2 0 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 2 2 2 2 3 4 2 3 3 4 4 6 3 22 17 13 40 30 42 17 8 5 4 3 2 2 3 2 2 2 2 2 2 3 3 2 5 6 7 9 45 19 19 7 9 4 3 2 2 3 2 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 85 dt 1H J 9 17 | 82 82 dd 1H J 20 44 | 82 81 dd 1H J 22 97 | 80 79 d 1H J 87 | 76 76 m 2H | 75 74 dd 1H J 44 97 | 31 30 d 3H J 48 | 25 25 dt 2H J 8 79 | 18 17 dtt 1H J 68 78 137 | 8 8 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)nc(S(C)(=O)=O)c1
ir: 16 3 3 2 1 2 3 1 1 2 3 25 6 11 4 3 1 2 3 3 17 5 3 1 1 1 1 1 1 2 2 3 2 2 3 2 2 2 2 0 1 2 1 1 1 2 2 0 1 3 3 0 3 2 1 1 1 7 3 1 2 8 1 6 7 5 11 26 17 18 4 1 1 2 1 1 2 2 1 1 1 2 4 4 17 9 4 15 2 2 1 1 2 2 1 3 5 1 1 1 3 5 9 30 18 21 13 8 4 4 1 2 2 2 2 5 42 6 16 7 3 7 4 2 2 6 5 4 12 1 0 1 2 1 1 1 1 1 1 16 0 2 2 0 4 78 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 100 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 5 2 2 1 1 1 2 1 0 1 6 9 15 11 19 12 13 8 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 88 88 d 1H J 22 | 79 78 d 1H J 22 | 39 39 s 3H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc2CN1C1CNC1
ir: 5 11 29 22 8 5 10 7 12 6 5 4 7 24 8 7 4 9 8 4 5 14 6 5 14 9 18 34 6 4 4 3 3 4 8 3 3 5 5 3 3 4 9 4 5 4 3 2 3 4 4 4 4 16 49 18 9 3 13 11 22 37 8 48 14 12 32 6 5 13 10 24 10 7 5 3 4 8 9 8 5 27 22 9 9 87 100 12 80 25 9 17 17 11 12 12 7 36 79 21 50 13 0 4 7 4 2 10 11 21 0 3 6 3 1 3 13 3 1 10 7 12 2 4 5 3 2 4 4 2 3 6 5 3 3 5 5 3 4 6 8 51 4 5 4 2 2 5 8 2 9 4 7 27 14 7 4 2 3 4 3 3 20 7 3 2 2 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 10 3 2 3 6 5 2 6 7 12 74 38 6 30 16 6 5 4 2 3 4 2 2 3 5 2 1 4 7 6 93 6 3 4 11 7 72 19 4 4 3 3 3 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3; 1HNMR: 96 95 d 1H J 70 | 80 79 m 2H | 77 77 dt 1H J 9 20 | 76 76 dd 1H J 22 92 | 74 74 d 1H J 71 | 72 71 dd 1H J 21 121 | 71 70 ddd 1H J 21 82 104 | 47 47 d 2H J 10 | 36 35 p 1H J 43 | 33 33 dt 2H J 40 98 | 31 30 dt 2H J 40 97 | 24 23 p 1H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C[C@@](O)(CCO)C(F)(F)F)c1ccc(Cl)cc1S(C)(=O)=O
ir: 21 24 14 19 8 9 16 6 9 21 28 31 25 19 26 22 27 26 24 34 22 10 15 18 25 25 8 7 4 5 5 8 6 6 8 8 11 2 31 14 7 9 6 7 6 2 3 6 4 1 11 11 35 49 9 13 12 13 16 8 4 6 8 6 7 25 49 51 39 24 6 7 2 7 4 6 8 5 8 8 16 37 23 20 18 60 75 42 46 41 62 42 58 70 75 23 12 12 23 38 9 21 27 33 23 13 18 18 19 9 5 3 2 4 6 12 11 6 8 8 16 13 7 11 6 4 3 6 5 3 5 3 3 3 7 15 10 11 12 4 4 5 17 8 6 3 3 1 2 5 11 7 2 2 5 6 3 4 2 1 1 3 3 2 2 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 2 0 1 3 2 0 1 3 2 0 1 2 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 2 2 2 1 2 2 1 1 2 2 4 11 5 3 1 5 6 5 3 3 6 5 7 13 35 93 22 29 15 53 15 11 26 80 100 49 24 18 8 4 2 2 2 2 2 2 1 2 2 1 2 2 1 1 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 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 77 77 d 1H J 20 | 74 73 m 2H | 49 48 q 1H J 33 | 39 38 ddt 1H J 46 55 117 | 38 37 ddt 1H J 46 54 117 | 35 35 t 1H J 52 | 32 32 s 2H | 22 21 ddq 2H J 24 107 132 | 19 18 dddt 2H J 25 50 127 134 | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1
ir: 1 1 1 5 3 2 1 1 0 1 2 0 0 0 1 2 1 2 1 1 3 4 2 4 3 5 5 4 10 9 4 4 6 17 5 6 4 5 20 2 23 40 31 11 3 6 3 3 2 1 1 1 5 8 5 8 3 1 2 1 2 0 0 1 4 6 2 1 2 3 1 2 1 4 3 3 1 1 2 3 2 2 3 1 1 1 1 1 2 8 2 1 1 1 0 0 2 2 1 1 0 1 1 0 1 2 2 1 1 1 0 1 4 2 3 2 1 1 3 3 5 3 2 1 2 3 1 2 2 3 1 2 1 6 1 10 20 26 6 2 7 12 6 10 12 18 46 24 8 20 3 19 1 2 3 2 6 5 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 4 3 9 13 100 25 4 4 4 2 1 0 1 1 2 0 1 0 0 0 1 0 0 1 1 1 5 8 10 14 9 6 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 17 41 | 79 78 ddd 2H J 14 78 161 | 78 77 dd 1H J 13 74 | 76 76 m 2H | 76 75 td 1H J 17 74 | 75 75 td 1H J 13 77 | 74 73 m 9H | 72 71 ddd 1H J 15 42 75 | 71 70 dq 1H J 11 75 | 61 60 t 1H J 61 | 51 51 s 2H | 48 48 dd 2H J 7 60 | 35 35 q 2H J 55 | 29 29 td 2H J 9 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1C(=O)NC(=O)NC1CN2CCC1CC2
ir: 2 2 3 4 4 3 3 3 6 3 3 4 3 3 2 3 11 3 3 3 7 9 12 5 12 9 4 3 6 4 3 2 2 3 4 6 8 6 4 6 13 8 7 21 6 0 16 4 4 5 5 4 3 1 3 5 9 10 65 17 6 54 6 3 5 3 2 3 4 12 3 2 3 3 5 6 4 4 5 6 5 30 5 9 7 4 3 2 3 2 2 2 3 3 2 3 3 5 5 3 5 8 2 13 15 5 5 7 8 6 4 3 5 5 5 4 5 4 3 4 5 4 4 3 4 3 4 4 5 5 7 3 2 3 3 3 6 25 4 2 2 2 3 2 4 5 4 19 13 9 97 2 40 100 20 12 24 2 3 8 20 6 3 3 2 2 3 3 3 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 3 4 3 3 4 3 6 9 6 12 12 23 16 6 3 3 3 3 2 2 3 3 5 3 3 3 3 2 4 3 2 3 5 9 21 19 21 23 15 12 7 4 5 4 3 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 95 94 s 1H | 78 78 m 1H | 74 73 m 2H | 70 70 m 1H | 68 68 d 1H J 75 | 43 42 q 2H J 63 | 41 40 ddt 1H J 23 49 75 | 31 30 ddd 2H J 48 74 119 | 30 29 m 3H | 27 26 dd 1H J 23 116 | 21 20 dp 1H J 41 51 | 19 18 m 2H | 17 16 ddt 2H J 45 75 127 | 16 15 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cl)cc1N(C)S(C)(=O)=O
ir: 3 5 63 9 7 8 9 16 14 4 3 9 12 7 15 5 4 3 3 5 3 3 18 3 3 2 2 3 3 2 2 10 3 2 2 16 3 3 3 3 3 2 2 3 3 2 20 6 3 2 2 3 2 2 7 6 3 1 7 6 3 3 3 5 2 1 4 8 0 25 9 3 4 8 13 7 18 9 4 3 5 4 5 4 4 36 7 13 41 48 2 3 6 10 3 4 3 3 3 4 3 24 19 5 42 11 7 4 3 2 2 4 4 5 18 8 5 3 6 9 5 9 14 5 9 38 6 5 4 3 3 5 3 3 2 3 5 30 7 2 2 3 3 2 2 3 4 13 3 4 6 100 7 4 45 11 5 3 3 2 3 8 11 5 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 2 14 3 2 2 3 3 3 2 2 4 3 3 6 17 15 9 15 47 21 10 3 4 3 2 3 8 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 77 d 1H J 87 | 72 72 d 1H J 22 | 71 71 dd 1H J 22 88 | 38 38 s 3H | 35 34 s 3H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1C1CC(=O)C=C(N)C1
ir: 11 18 19 22 15 14 14 8 4 8 10 9 9 11 12 10 3 8 11 5 6 9 9 4 2 10 16 7 3 6 7 2 3 7 6 1 4 8 5 6 5 9 6 2 3 9 6 0 4 8 5 1 16 27 27 10 10 9 4 0 5 9 7 3 8 10 11 11 7 8 3 1 4 8 15 10 29 21 11 18 14 12 10 5 8 12 6 2 6 5 2 2 6 6 2 3 9 8 5 8 7 5 3 5 8 5 1 4 11 6 3 4 7 4 0 7 10 6 5 7 13 7 4 6 7 6 2 6 7 3 2 6 7 3 6 7 6 4 6 8 11 2 2 10 11 5 3 7 8 11 11 19 49 56 79 48 41 3 8 17 22 7 10 9 5 2 4 6 4 1 3 6 3 1 3 6 3 2 4 6 3 1 4 6 3 1 4 5 2 2 5 5 3 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 6 4 2 3 6 4 2 3 6 6 1 5 8 6 2 4 9 7 7 13 20 25 36 29 13 7 4 6 6 4 3 5 6 3 3 4 5 3 4 9 44 21 4 8 7 2 1 6 7 3 14 62 100 90 26 8 5 3 3 5 4 2 4 5 4 2 3 5 4 2 3 5 3 1 4 7 4 2 4 6 4 2 3 6 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 86 85 s 2H | 73 73 m 1H | 72 72 dd 1H J 22 84 | 69 68 d 1H J 84 | 50 49 p 1H J 9 | 38 38 s 3H | 35 34 ttd 1H J 7 66 76 | 30 29 ddd 1H J 9 66 161 | 29 28 ddd 1H J 9 77 154 | 27 26 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(Cl)c(C(=O)O)c1
ir: 3 3 2 3 6 5 5 3 4 4 6 8 4 4 4 8 18 10 8 17 31 19 34 90 27 16 7 5 4 2 2 3 2 2 3 3 4 3 3 2 2 2 3 2 4 10 3 4 4 2 2 3 3 4 5 18 4 2 2 3 2 2 2 2 2 1 3 5 11 3 2 3 3 2 2 40 9 6 7 45 6 4 5 4 4 2 3 4 5 5 3 2 3 2 3 4 6 6 9 5 3 11 3 3 2 2 3 2 3 22 0 2 3 3 1 2 4 9 4 9 3 3 2 4 5 3 4 3 4 4 3 3 4 2 2 2 2 2 2 3 5 7 5 10 7 19 54 10 7 23 4 3 2 3 6 5 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 2 2 2 3 5 5 4 14 29 7 3 4 3 2 3 5 7 100 24 8 5 3 2 2 2 2 1 2 2 2 1 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 79 dt 1H J 9 18 | 74 73 m 2H | 36 36 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCCC2)N2CC(=O)CC2=O)n1
ir: 7 2 1 2 2 3 3 2 2 5 2 4 3 9 6 6 4 4 6 4 4 7 8 4 9 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 0 1 2 2 1 1 1 2 1 1 4 3 5 6 7 17 5 20 13 5 0 2 1 7 1 4 2 1 1 1 2 0 1 1 1 1 1 1 2 2 2 4 7 4 2 2 2 1 2 2 2 1 1 2 3 2 5 3 9 6 2 2 2 0 4 13 8 3 9 3 3 1 1 2 1 1 1 3 3 2 2 1 1 6 8 6 3 3 5 6 2 1 1 1 1 1 1 1 1 0 1 2 2 9 3 1 3 29 15 2 3 2 2 3 5 13 35 7 2 1 1 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 4 3 3 2 1 1 2 2 4 9 4 2 2 8 4 4 7 13 100 7 12 2 1 1 2 1 1 1 1 1 1 2 2 1 1 2 4 10 10 26 6 2 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 s 1H | 73 73 dt 1H J 9 24 | 63 62 d 1H J 24 | 47 46 t 1H J 81 | 44 43 d 1H J 137 | 43 42 d 1H J 137 | 39 38 d 2H J 10 | 34 33 m 2H | 32 31 s 1H | 19 19 m 1H | 18 17 tp 1H J 61 75 | 17 16 m 1H | 15 14 m 7H | 14 14 s 6H | 14 13 m 2H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCC1(CC(=O)OCc2ccccc2)CCCCC1
ir: 3 1 2 1 1 1 0 2 2 2 2 4 4 3 3 2 2 2 2 3 8 2 2 4 5 1 0 1 2 3 18 7 2 1 0 1 1 0 0 3 18 5 2 3 2 3 1 1 1 2 1 2 0 2 9 3 4 7 3 5 1 1 2 1 1 2 19 3 10 3 6 3 1 1 1 0 0 1 2 1 0 0 1 1 1 4 5 5 1 19 1 2 2 1 1 1 1 18 3 2 2 4 5 8 14 22 5 4 3 3 9 8 2 2 8 3 4 3 4 8 8 3 3 2 4 4 2 4 4 1 4 8 12 10 16 68 17 3 1 1 2 2 7 12 32 17 8 2 4 37 15 15 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 7 1 2 2 4 11 4 2 1 2 4 2 3 4 22 13 10 100 27 4 1 0 1 5 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 t 1H J 59 | 74 73 m 5H | 51 51 s 2H | 24 24 s 2H | 24 23 d 2H J 59 | 17 15 m 4H | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COc2cccc3c(Cl)ccnc23)cc1
ir: 2 2 2 1 1 2 2 6 5 8 4 3 3 2 8 7 4 2 3 6 2 5 3 2 1 2 2 1 1 3 1 2 1 1 1 2 1 2 5 0 1 3 3 18 13 100 7 17 7 1 24 33 35 12 10 19 6 2 6 6 8 14 11 21 4 5 6 11 5 30 12 32 30 9 4 6 5 5 2 2 10 5 2 2 1 2 11 22 4 4 2 2 11 7 17 23 3 12 5 6 1 1 8 2 1 1 1 2 1 2 13 2 0 1 2 4 7 2 3 1 2 3 5 6 4 5 3 7 6 5 15 5 1 1 1 1 1 1 2 20 1 3 3 5 4 7 15 26 53 15 6 3 14 4 4 4 18 4 5 5 9 4 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 2 1 2 3 3 4 9 15 51 86 45 6 8 4 2 2 6 2 1 0 2 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 d 1H J 35 | 78 78 m 1H | 73 73 m 3H | 73 72 d 1H J 33 | 71 71 dd 1H J 13 88 | 69 69 m 2H | 52 51 d 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)c(NC(=O)OC(C)(C)C)c1
ir: 13 21 8 5 5 3 1 2 1 3 6 3 1 2 1 1 1 2 2 1 2 5 2 2 3 2 4 3 1 9 15 36 82 11 11 24 50 31 20 12 7 4 2 3 1 1 1 1 1 1 1 3 13 9 23 7 7 7 5 2 3 6 6 1 10 38 19 17 22 5 7 5 1 0 2 1 1 0 1 1 3 4 2 1 0 1 2 3 1 1 1 2 1 4 40 40 13 10 10 10 3 1 1 1 1 1 1 2 9 13 7 1 2 1 0 3 3 6 6 7 10 3 1 1 1 1 1 4 7 6 10 7 4 4 4 16 20 5 2 1 1 0 0 3 14 36 43 14 18 9 4 59 100 12 15 18 6 2 2 2 4 2 10 23 25 2 2 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 1 1 2 2 1 1 1 0 1 1 1 1 2 5 6 10 19 16 12 29 36 15 9 8 2 2 1 1 0 0 1 2 1 2 2 2 5 7 4 4 6 5 6 38 78 67 19 8 10 7 1 0 1 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 87 | 72 71 d 1H J 21 | 67 67 dd 1H J 22 88 | 66 66 s 1H | 38 38 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(N)c(O)n2)CC1
ir: 3 6 4 7 5 8 4 21 16 10 7 4 4 4 1 14 24 65 100 93 26 18 18 7 5 7 7 5 5 3 6 2 1 6 2 3 5 14 35 31 33 13 9 4 5 2 2 2 2 4 6 6 27 53 35 13 9 7 7 7 7 4 4 4 5 6 4 6 7 7 5 2 3 4 9 11 12 22 20 32 18 14 7 9 14 14 15 6 6 3 3 2 2 3 4 7 23 8 5 12 6 13 5 7 3 3 4 4 3 1 0 1 2 1 0 1 1 2 0 4 2 2 1 1 3 1 4 16 23 10 8 11 7 5 4 4 3 3 4 12 30 24 13 4 4 4 62 42 7 1 6 14 13 12 22 49 38 17 6 3 4 7 6 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 2 2 4 2 2 2 2 2 4 5 9 6 9 3 2 1 1 2 1 1 3 36 19 4 1 1 1 2 3 2 2 9 2 1 1 1 2 2 1 4 4 58 43 56 6 5 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 71 71 d 1H J 88 | 56 56 d 1H J 88 | 49 48 s 2H | 37 36 m 5H | 29 29 s 3H | 25 24 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
ir: 7 6 5 6 8 4 14 8 4 7 11 24 18 6 9 5 5 4 4 11 9 26 22 24 37 20 5 10 10 7 18 14 12 7 4 4 4 4 4 11 9 17 4 3 7 4 20 77 10 18 14 13 8 9 30 18 100 57 7 12 13 8 18 10 11 8 22 26 10 17 13 14 38 57 35 13 15 5 9 5 12 9 4 10 12 6 6 8 10 6 5 3 4 2 3 5 11 33 5 7 3 2 7 5 6 30 10 4 3 7 13 2 4 2 4 4 4 5 5 5 8 6 11 8 7 10 9 12 7 14 13 13 12 29 23 40 27 7 35 20 13 11 11 8 32 5 4 4 2 7 13 60 33 31 18 17 6 19 25 7 5 0 22 16 5 3 6 16 2 1 1 2 2 1 1 2 2 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 1 2 2 2 2 1 2 2 2 1 2 2 2 2 3 3 2 1 3 2 2 4 8 32 19 86 38 13 6 9 4 1 4 4 4 5 6 7 7 16 23 18 11 15 10 12 21 60 41 39 17 75 33 7 5 2 2 2 2 2 2 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H | 85 85 s 1H | 84 84 d 1H J 24 | 81 81 dd 1H J 24 93 | 80 80 d 1H J 94 | 74 74 d 1H J 22 | 74 73 m 2H | 73 72 ddq 1H J 10 20 75 | 71 70 m 3H | 69 68 d 1H J 53 | 65 64 dt 1H J 8 52 | 51 51 t 2H J 8 | 41 40 td 2H J 8 65 | 15 14 t 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)Cc1ccccc1Cl
ir: 11 9 1 2 5 5 1 1 2 2 1 1 2 3 3 6 2 1 0 3 20 3 1 1 2 1 1 1 4 4 4 8 14 16 11 8 27 12 6 30 50 29 100 33 19 77 8 1 3 9 6 1 2 11 6 6 2 2 1 0 1 3 4 0 1 2 5 8 13 9 2 3 2 1 1 5 3 2 4 3 2 2 1 1 3 9 1 2 2 4 5 15 3 3 2 2 2 3 1 4 2 2 0 1 1 1 1 2 3 5 6 7 5 2 0 2 4 7 40 12 13 31 38 20 28 62 7 3 2 5 8 8 6 5 4 3 13 18 3 8 15 13 83 3 7 17 6 10 13 8 3 1 1 2 4 33 5 3 7 0 1 2 1 0 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 2 2 2 4 3 2 3 2 4 6 6 20 16 12 69 94 37 7 6 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 75 m 2H | 74 73 m 1H | 73 72 m 3H | 52 51 m 2H | 34 33 dd 1H J 7 146 | 31 30 dd 1H J 8 145 | 30 29 s 2H | 14 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(C)cc3cc(OC)ccc3c2Oc2ccc(/C=C/C(=O)O)cc2)cc1
ir: 2 1 1 1 1 1 2 2 3 2 10 5 7 17 9 3 5 9 3 3 9 14 33 8 5 4 2 2 2 3 1 1 1 2 2 3 0 1 1 0 1 2 1 1 1 1 1 4 1 3 7 1 4 13 38 42 16 11 3 4 5 2 5 2 4 6 2 3 8 12 2 4 7 4 3 2 10 6 77 4 6 4 2 4 2 2 0 5 4 2 1 3 1 1 1 1 2 2 9 5 1 2 3 5 2 3 9 4 6 2 3 2 1 1 1 1 1 1 1 1 1 2 2 5 3 4 1 2 1 1 2 6 6 4 2 1 2 2 1 0 1 1 2 5 6 53 9 28 37 3 3 4 5 3 3 4 1 2 3 4 1 0 2 1 1 0 4 2 4 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 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 2 4 4 7 2 6 16 26 100 24 6 4 2 1 1 2 2 7 14 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 83 | 76 75 m 4H | 75 74 t 1H J 12 | 73 73 m 2H | 72 71 t 1H J 23 | 71 70 m 2H | 70 69 m 2H | 69 69 dd 1H J 25 85 | 65 64 d 1H J 166 | 39 38 s 3H | 38 38 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccc(C)cc1
ir: 1 3 3 2 1 1 1 0 1 1 2 2 1 2 1 1 2 4 13 3 4 4 1 1 1 2 1 4 4 10 8 15 16 48 4 4 2 2 2 5 6 12 15 3 4 4 20 100 17 5 2 4 2 3 6 10 2 2 1 1 1 1 1 1 1 2 1 1 11 16 3 2 2 2 1 1 1 2 1 2 1 1 0 0 0 1 0 1 5 1 1 2 1 1 0 0 1 1 1 3 2 1 1 1 0 2 1 8 2 1 1 2 9 7 1 1 2 2 0 4 7 2 2 6 14 6 15 12 12 5 9 8 1 2 3 6 1 4 4 4 7 8 15 7 12 4 3 10 38 29 9 26 4 1 1 4 17 4 1 0 1 15 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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 3 4 2 2 2 2 3 2 3 4 10 4 11 97 22 15 5 1 2 2 3 2 2 1 1 0 1 1 0 0 0 1 1 2 2 5 1 5 30 14 6 5 2 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 q 1H J 49 | 78 77 m 2H | 76 75 m 2H | 75 74 m 2H | 74 73 m 1H | 73 73 m 2H | 45 44 s 2H | 29 29 d 3H J 51 | 23 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(COc2cccc(/C(C)=C/CCCCC(C)(C)O)c2)cc1C(=O)OC
ir: 17 22 5 9 4 6 14 8 6 3 8 24 26 9 5 4 6 5 5 6 6 6 7 7 3 2 2 4 2 2 5 5 4 4 1 3 3 4 3 4 8 1 1 2 2 2 10 69 25 6 7 22 22 21 15 9 6 12 9 11 5 9 8 23 20 12 16 16 31 25 14 7 6 9 17 17 12 34 25 62 14 35 17 8 10 6 4 5 8 5 1 6 5 8 13 13 9 6 6 20 17 23 7 10 13 11 23 39 15 9 9 11 17 25 70 9 5 9 9 12 43 16 11 12 4 5 5 6 12 6 6 6 5 8 6 2 6 24 11 12 12 44 13 14 15 5 4 3 12 21 3 20 40 17 11 14 4 15 2 1 1 3 8 7 2 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 0 1 1 1 1 1 2 3 6 2 4 5 10 9 11 9 4 8 12 11 10 24 30 26 27 100 57 42 17 22 12 24 22 72 24 5 6 8 6 7 2 4 3 4 4 5 5 5 4 2 4 3 3 2 3 3 3 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dt 1H J 8 20 | 79 79 d 1H J 86 | 75 74 ddt 1H J 9 19 86 | 73 72 t 1H J 80 | 72 71 ddd 1H J 11 22 82 | 70 69 t 1H J 19 | 69 69 ddd 1H J 10 17 81 | 55 55 ddt 1H J 13 51 62 | 50 49 t 2H J 9 | 39 39 s 6H | 25 25 s 1H | 24 23 tdq 2H J 10 60 72 | 22 22 q 3H J 12 | 15 14 m 7H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(Cc1ccccc1)C(=O)C1CCN(c2ccccc2)C1=O
ir: 2 1 4 2 1 2 2 5 6 4 3 2 1 2 2 3 4 4 4 1 0 1 3 2 1 5 4 2 4 12 4 9 7 5 8 7 5 2 5 29 30 26 16 7 3 5 3 10 2 3 3 4 6 1 2 2 2 1 1 0 1 1 1 1 1 3 2 9 9 17 2 1 2 2 5 5 5 7 5 4 1 4 7 3 3 1 1 1 2 13 6 4 2 2 1 1 2 6 5 3 3 1 2 2 4 5 1 2 2 15 8 3 5 4 3 1 3 6 8 5 3 4 3 5 4 4 1 2 4 4 6 3 1 3 3 34 10 9 3 4 2 4 16 44 24 7 17 4 36 40 14 5 12 2 3 2 1 0 1 3 6 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 0 1 1 1 3 3 4 2 2 4 0 9 6 21 15 27 100 34 15 4 9 3 4 2 3 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 73 72 m 8H | 59 59 q 1H J 17 | 57 57 dt 1H J 13 24 | 40 39 ddd 1H J 57 75 124 | 39 38 ddd 1H J 57 76 125 | 38 38 t 1H J 52 | 36 35 m 2H | 26 25 ddt 1H J 55 75 129 | 23 22 ddt 1H J 55 75 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cc(Br)c2[nH]c(Nc3ccc4cccnc4c3)nc2c1
ir: 3 5 16 9 2 3 3 4 2 2 5 3 3 4 9 3 2 8 5 10 12 31 17 20 4 90 68 19 33 17 21 19 13 6 3 7 5 9 7 8 37 6 2 3 5 2 2 26 7 3 2 8 13 5 6 8 2 1 2 4 2 1 9 12 25 1 62 21 12 13 4 3 2 2 2 2 2 2 2 2 1 3 2 3 2 3 4 4 3 2 3 8 4 2 2 3 5 15 12 28 15 7 27 8 9 6 9 3 4 8 6 3 9 100 6 3 2 2 2 2 4 7 7 7 44 2 4 26 5 2 3 1 2 24 9 4 4 12 3 3 3 2 1 3 7 7 4 3 2 9 9 2 15 8 7 14 95 12 36 70 12 0 5 2 1 3 1 52 3 0 2 3 1 0 1 2 2 1 2 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 2 1 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 1 1 1 1 2 1 2 2 2 2 2 2 1 2 3 8 12 33 36 9 6 3 2 2 2 1 2 2 2 2 2 2 2 2 3 3 4 7 4 4 4 21 52 60 50 14 2 3 5 3 2 2 2 2 2 1 1 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 s 1H | 91 90 s 1H | 88 88 dd 1H J 17 40 | 83 82 d 1H J 19 | 81 80 m 2H | 79 79 dq 1H J 9 19 | 79 79 dq 1H J 9 18 | 76 75 dd 1H J 22 87 | 73 73 dd 1H J 42 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNc1c(C(=O)c2ccccc2)ccc(=O)n1CCOC
ir: 5 5 3 4 7 3 3 3 6 4 3 4 4 4 4 7 4 2 5 2 3 2 4 10 8 12 8 7 2 3 8 12 17 14 8 16 25 15 19 10 10 4 48 6 17 13 20 16 17 21 62 34 26 5 3 8 8 15 14 17 5 6 5 5 5 18 17 14 5 5 8 5 10 8 3 3 4 6 3 7 4 1 2 2 2 1 2 2 1 1 2 3 12 5 3 2 4 2 2 4 4 12 10 4 3 2 5 1 3 3 6 3 2 3 2 3 30 27 11 8 19 8 12 28 19 26 6 5 2 6 7 4 2 3 14 22 14 17 8 16 6 15 16 51 24 100 5 3 1 3 9 4 5 6 7 36 75 6 3 3 25 5 79 10 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 0 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 2 2 3 3 2 1 3 3 3 1 3 6 5 7 10 55 25 39 24 7 3 2 3 2 2 2 2 3 2 2 2 3 3 6 5 4 4 6 5 7 13 32 37 24 12 4 7 4 2 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 m 3H | 76 75 m 2H | 75 74 m 2H | 69 68 d 1H J 93 | 40 39 t 2H J 61 | 36 36 t 2H J 62 | 34 34 td 2H J 8 49 | 34 33 m 5H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)CCOCCc1ccc2sccc2c1
ir: 13 7 3 7 23 9 27 5 6 3 9 2 6 3 1 2 1 1 0 1 2 2 1 1 3 14 16 6 32 57 15 34 21 5 2 13 3 0 1 1 2 2 2 3 2 2 2 4 5 5 6 3 3 18 35 23 4 2 2 4 5 3 4 12 7 4 21 41 48 17 19 54 6 3 1 0 1 1 0 0 1 1 0 0 0 1 1 2 3 6 6 21 13 23 6 16 10 6 44 8 12 10 6 1 2 1 1 1 2 2 7 6 16 20 8 9 10 30 13 21 11 16 18 34 16 6 2 5 13 14 13 39 9 5 5 5 5 4 26 20 2 5 12 46 82 17 6 3 8 18 1 2 2 5 4 2 1 0 0 1 0 0 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 3 5 3 5 6 11 4 7 3 3 4 5 17 26 14 26 100 54 28 28 11 4 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 74 d 1H J 53 | 73 73 dd 1H J 21 54 | 72 71 ddt 1H J 9 20 77 | 41 41 t 2H J 57 | 38 37 t 2H J 67 | 36 36 t 2H J 59 | 29 28 tt 2H J 9 59 | 26 25 t 2H J 67 | 18 17 qt 2H J 57 80 | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCCC(C)=CCCC(C)=CCBr
ir: 4 2 2 4 6 7 6 6 12 3 4 5 5 7 8 6 5 5 4 12 7 5 5 4 6 4 3 3 3 1 1 3 3 3 4 8 5 4 3 7 9 4 6 5 3 2 2 3 3 2 3 4 3 1 2 3 3 12 5 9 19 13 32 34 16 17 20 39 20 18 13 33 22 4 9 18 3 4 5 4 2 0 3 3 1 1 4 3 0 4 7 8 4 5 6 15 20 32 12 13 12 6 9 18 12 9 10 5 6 6 14 19 7 23 11 11 4 41 29 35 42 24 23 18 5 15 13 5 3 6 5 6 2 4 8 8 3 6 4 3 3 4 3 1 1 3 2 1 1 3 2 0 1 2 3 3 5 25 6 2 2 3 2 0 1 3 2 0 2 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 3 8 6 8 7 7 17 18 7 8 21 10 31 23 82 71 100 37 51 8 3 7 8 4 1 2 4 3 1 3 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 54 54 tq 1H J 13 28 | 51 50 ddtt 2H J 13 25 73 85 | 41 41 dh 2H J 10 29 | 22 21 m 4H | 21 20 m 2H | 20 19 tq 2H J 11 73 | 17 16 dq 6H J 12 188 | 16 16 dd 6H J 14 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)c3sc(I)cc23)C1
ir: 3 7 9 17 8 14 17 7 3 7 6 5 7 6 0 3 2 1 1 1 4 3 2 6 5 1 2 2 1 1 2 6 4 5 11 11 4 9 19 5 2 3 11 4 2 1 2 2 3 1 4 8 1 2 4 5 5 2 11 6 2 17 3 5 2 2 1 1 1 2 1 4 20 5 20 2 5 9 6 2 3 0 1 1 1 4 4 1 0 1 2 2 0 1 1 2 1 4 6 10 5 6 1 5 11 1 9 10 16 11 17 15 29 20 9 7 8 15 36 21 17 14 7 12 13 5 3 10 18 25 34 11 4 2 1 2 1 1 1 2 5 8 4 2 6 15 17 38 5 2 2 0 1 0 0 0 1 1 1 0 0 0 1 0 1 3 1 3 1 1 0 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 1 6 12 6 7 5 10 5 5 6 8 18 20 42 33 100 28 6 61 10 2 3 3 2 1 1 2 0 1 1 0 0 0 0 1 1 1 1 2 2 2 7 15 11 7 18 6 4 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 82 82 s 1H | 71 71 d 1H J 90 | 40 39 ddddd 1H J 24 40 51 66 91 | 39 38 dd 1H J 24 119 | 36 35 dd 1H J 51 119 | 35 34 ddd 1H J 35 60 123 | 33 32 ddd 1H J 35 61 121 | 20 19 dddd 1H J 40 64 87 130 | 19 16 m 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCC2O
ir: 2 7 3 7 10 6 6 2 1 4 4 4 2 6 1 2 4 4 8 3 2 2 1 2 1 2 2 2 1 1 1 2 2 1 3 3 1 1 2 2 1 2 2 3 9 6 6 3 2 1 1 2 6 7 10 13 2 4 5 1 4 5 1 5 6 29 13 11 6 12 14 7 1 2 3 2 3 2 2 3 5 32 56 37 31 38 24 11 6 18 15 7 20 6 3 2 3 7 8 4 1 2 1 2 1 1 2 2 2 1 3 2 2 2 3 4 3 6 12 6 3 2 1 2 3 2 3 9 5 2 1 1 1 0 1 0 0 0 1 1 2 13 1 1 0 0 0 1 1 4 8 9 19 19 2 1 1 1 0 1 3 16 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 3 2 2 3 2 3 4 3 3 5 5 4 5 3 4 3 11 10 10 8 95 53 18 3 0 3 3 7 76 100 11 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 3 2 2 1 2 2 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 7 84 | 71 70 dt 1H J 9 19 | 68 67 dd 1H J 22 84 | 51 51 m 1H | 39 38 d 1H J 42 | 38 38 s 2H | 30 29 dddd 1H J 8 61 79 141 | 29 28 dddd 1H J 8 60 81 142 | 23 22 dddd 1H J 48 61 81 140 | 20 19 dddd 1H J 47 60 79 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CC[C@H]2CC(N(C)c3ncnc4[nH]ccc34)C[C@H]2C1
ir: 8 11 16 19 5 9 6 17 19 7 9 14 10 7 6 10 47 18 15 10 11 4 12 9 9 36 39 6 3 8 4 4 3 1 4 8 36 4 3 5 10 46 10 9 16 8 8 0 4 4 3 22 4 5 3 0 1 3 2 3 3 5 5 5 4 4 2 7 2 3 3 3 2 5 5 4 5 3 13 2 4 11 4 5 7 4 11 4 5 4 6 6 12 4 4 3 4 4 9 36 7 6 6 24 6 8 10 10 7 5 2 10 12 20 3 4 3 4 4 5 19 29 20 5 3 17 14 10 7 4 4 12 12 8 9 39 12 7 3 3 1 2 5 9 8 10 18 3 2 3 40 14 10 100 11 91 7 5 70 8 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 2 2 1 2 5 2 4 3 2 3 3 4 3 11 31 7 4 2 4 9 9 21 6 3 2 1 1 2 1 1 2 2 1 0 1 2 1 1 2 2 2 5 7 17 25 7 3 2 1 2 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 s 1H | 71 71 dd 1H J 57 64 | 66 65 d 1H J 57 | 40 39 dtdd 1H J 16 57 71 87 | 38 37 m 2H | 37 37 s 2H | 35 35 m 1H | 34 33 ddd 1H J 62 90 123 | 32 32 d 3H J 14 | 22 21 m 2H | 20 19 m 1H | 19 18 dddd 2H J 29 55 90 125 | 18 17 dqt 1H J 23 35 48 | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)Cc1ccc(Cl)cc1
ir: 2 2 4 2 2 2 1 2 2 2 2 9 20 2 2 2 4 2 1 3 4 2 0 12 36 82 65 13 6 6 3 8 1 3 2 2 2 3 6 2 3 3 2 2 1 1 2 2 3 4 3 2 2 2 4 21 10 4 2 2 2 1 2 2 1 1 2 4 16 11 3 2 2 2 2 1 1 2 2 1 1 2 2 3 2 6 4 3 2 2 2 2 3 10 37 5 6 3 4 3 1 16 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 5 8 6 3 4 9 5 2 2 2 3 2 3 2 2 2 2 2 1 2 2 1 1 2 4 3 3 7 7 6 2 3 3 2 4 4 4 5 32 49 37 7 4 2 2 2 2 1 2 2 1 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 3 2 2 2 2 4 5 3 2 2 2 1 4 3 3 6 30 10 8 5 5 8 2 2 2 3 2 2 2 3 2 2 4 3 13 20 6 3 2 2 3 4 2 1 3 5 10 51 100 16 12 7 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 2H | 73 73 s 1H | 73 73 s 3H | 40 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C2(c3ccc(CC)cc3)OC2C(=O)OC)cc1
ir: 1 12 15 8 0 29 9 7 6 4 5 5 11 3 5 5 3 7 9 4 9 30 33 22 4 7 7 4 6 22 3 3 4 6 4 6 20 3 3 2 4 5 8 11 7 4 7 8 7 7 5 9 7 16 39 100 37 7 5 12 7 3 6 3 4 3 8 54 3 19 13 6 3 4 2 6 4 4 3 3 11 15 6 5 19 10 2 4 3 40 20 12 30 14 4 3 4 3 12 5 3 2 2 2 4 6 4 4 11 20 1 6 3 14 12 28 5 11 21 20 7 5 17 13 28 24 19 26 8 4 9 5 6 2 3 3 15 3 9 31 2 12 8 3 4 6 6 17 62 31 8 8 14 23 73 4 10 7 2 4 3 3 4 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 2 2 3 2 3 4 6 4 3 3 2 3 3 4 4 3 7 14 5 26 56 69 96 66 95 13 9 15 5 5 6 10 6 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 4H | 71 71 dt 4H J 9 78 | 45 44 s 1H | 38 37 s 2H | 27 26 qt 4H J 9 73 | 12 12 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1
ir: 1 2 2 2 0 2 4 1 0 1 2 1 2 3 2 6 3 2 3 2 1 7 16 8 3 2 2 4 4 4 2 1 2 2 5 7 11 10 3 1 1 2 1 1 0 2 2 0 1 2 2 2 8 20 50 5 9 5 3 1 1 5 3 3 3 3 4 6 3 7 9 6 4 4 3 1 2 4 2 1 1 2 1 1 1 2 1 2 2 2 3 2 2 2 2 10 4 2 0 1 2 1 1 1 2 2 1 4 16 10 6 5 5 1 2 2 7 6 6 7 8 3 6 5 5 3 2 3 1 1 1 2 2 1 1 4 12 44 22 6 2 2 1 5 5 39 3 3 4 2 4 3 9 4 2 2 2 1 1 1 3 1 1 2 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 1 1 3 6 3 3 2 2 4 4 5 6 10 8 34 100 31 9 6 5 4 8 4 1 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 77 77 m 2H | 76 76 m 2H | 70 70 m 2H | 59 57 m 1H | 51 51 m 1H | 50 49 ddt 1H J 13 24 172 | 40 40 m 2H | 21 20 tdt 2H J 14 67 80 | 18 18 tt 2H J 63 75 | 15 14 dq 2H J 69 77 | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1cn(C)cn1
ir: 0 4 2 4 2 2 4 3 0 2 3 5 0 2 3 1 0 2 2 1 0 3 5 3 1 2 4 7 4 10 7 1 3 4 7 4 1 3 2 1 1 3 2 1 7 4 3 0 1 3 2 2 4 5 3 1 1 3 2 1 3 3 2 1 3 4 3 2 3 5 4 3 6 5 4 7 4 3 1 1 3 6 1 1 2 3 3 4 3 2 1 2 1 48 56 1 4 6 7 2 3 2 1 1 3 3 5 13 10 10 12 3 4 2 1 2 3 5 3 6 7 3 3 10 16 4 3 7 7 7 4 7 6 4 5 3 4 4 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 10 4 1 2 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 1 6 6 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 3 2 1 2 3 2 2 6 7 9 14 12 33 21 17 24 100 12 3 4 3 3 3 5 4 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 1H | 76 75 d 1H J 159 | 73 72 d 1H J 20 | 66 65 d 1H J 158 | 38 37 s 3H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(C2=C(O)C(CC3CCS(=O)(=O)CC3)NC2=O)c1
ir: 29 17 24 9 19 65 21 41 22 11 8 5 3 2 5 4 2 4 3 3 3 7 8 2 2 3 6 8 6 9 3 2 3 5 8 17 6 4 10 7 4 6 7 4 18 6 18 16 4 3 6 4 10 22 4 3 2 4 3 2 4 3 5 2 8 9 5 12 14 4 6 5 5 3 4 5 15 3 5 2 3 3 5 8 6 36 7 17 13 12 12 30 15 8 8 16 9 5 3 4 5 6 3 4 18 18 15 9 10 6 5 8 10 13 3 8 12 8 6 5 5 5 7 5 8 11 2 5 3 5 8 3 3 3 5 17 2 3 2 2 2 2 4 14 5 2 2 3 16 4 18 3 3 4 20 7 2 0 100 9 7 3 16 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 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 4 6 13 10 3 3 6 6 7 6 8 74 12 8 12 17 6 4 3 3 4 14 85 25 4 3 1 2 2 2 1 2 2 2 4 7 3 11 30 19 8 5 7 3 3 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 dt 1H J 11 87 | 72 71 d 1H J 20 | 71 71 m 1H | 44 43 dt 1H J 59 68 | 32 31 ddd 2H J 76 101 142 | 31 30 ddd 2H J 76 103 143 | 24 23 m 6H | 21 20 m 2H | 19 17 m 5H | 17 16 ddd 1H J 59 81 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(C(C)C)cn1
ir: 2 6 8 4 0 5 9 7 10 13 7 3 1 5 5 2 0 4 5 2 1 4 5 1 1 6 9 5 2 6 5 2 2 5 8 8 5 22 14 4 6 14 27 3 3 7 4 1 3 7 6 7 4 8 3 2 4 5 3 1 3 6 8 11 9 6 3 1 5 7 4 3 24 46 30 5 10 9 14 7 58 14 66 62 12 17 77 23 7 9 8 10 22 17 9 7 9 6 2 4 7 7 15 20 14 7 6 18 21 18 4 11 10 19 10 14 33 37 39 15 21 17 54 41 14 15 8 13 15 54 34 14 7 6 3 7 7 3 1 6 6 3 4 34 38 6 4 5 4 1 2 5 4 1 2 5 4 1 2 5 4 0 3 6 3 1 11 17 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 4 5 2 1 4 5 2 1 4 4 1 1 4 4 1 1 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 4 5 2 1 4 4 2 1 4 5 2 2 5 5 2 2 6 5 2 3 5 4 2 4 14 37 9 5 9 8 5 10 11 7 4 8 32 22 54 100 25 12 22 37 14 17 7 6 5 4 3 3 3 2 2 4 4 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 78 78 m 1H | 77 76 dd 1H J 7 16 | 46 45 m 1H | 43 43 q 2H J 64 | 15 15 d 6H J 48 | 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.
CCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)OC(C)(C)C)CCOCC3)CC2)cc1
ir: 30 48 10 32 17 23 23 6 19 10 20 7 5 6 4 4 6 2 2 2 6 10 2 2 3 2 3 5 3 6 5 3 20 10 7 9 8 7 6 4 5 7 2 2 1 1 2 2 1 0 2 9 3 12 12 20 11 21 5 5 13 4 9 20 61 38 18 10 20 13 5 3 3 6 9 10 19 6 44 55 8 73 10 12 9 44 89 88 7 5 14 6 6 4 9 5 18 11 8 27 40 21 9 11 8 3 2 3 2 1 3 5 3 13 9 21 17 83 24 11 10 7 5 3 3 8 6 9 9 13 12 8 8 8 2 1 0 1 1 1 2 2 3 8 9 77 13 4 3 36 100 26 14 6 4 2 1 1 0 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 6 4 2 3 4 7 6 4 5 2 6 5 11 32 68 28 66 33 37 11 2 2 2 2 3 1 1 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 m 2H | 68 68 m 2H | 41 40 q 2H J 67 | 39 38 ddd 2H J 49 77 108 | 37 37 ddd 2H J 49 77 108 | 34 33 m 8H | 26 25 ddd 2H J 49 77 148 | 23 23 ddd 2H J 49 77 148 | 15 14 t 3H J 67 | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C=Cc1ccc(C=CC(=O)c2cccnc2)c(F)c1
ir: 1 1 2 2 1 1 1 2 2 2 4 2 3 3 2 2 1 2 3 3 13 21 27 7 4 2 2 3 1 1 2 4 4 7 3 2 1 2 2 3 2 1 1 1 1 1 2 1 4 11 3 2 2 2 3 2 3 2 10 5 2 2 2 3 2 1 1 2 2 4 2 1 1 2 1 1 4 2 5 14 5 6 2 3 2 2 1 2 2 2 1 1 1 1 11 1 2 1 1 1 1 3 1 1 1 1 1 1 1 1 2 6 9 6 2 3 5 3 2 5 2 6 3 9 2 1 1 2 6 6 2 1 2 2 7 1 1 1 3 6 2 4 11 21 6 3 5 6 2 2 2 2 2 5 7 2 1 13 4 2 2 2 5 6 1 1 1 3 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 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 1 1 1 0 1 1 1 1 1 1 1 4 7 15 16 13 12 11 1 1 1 2 2 0 24 100 8 2 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 91 t 1H J 18 | 88 87 ddd 1H J 16 26 48 | 83 83 ddd 1H J 18 26 79 | 77 76 m 2H | 76 74 m 4H | 74 74 dd 1H J 22 121 | 66 65 d 1H J 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC(F)F
ir: 1 3 8 9 6 10 16 6 33 23 27 18 1 4 4 3 2 4 5 2 4 6 8 7 2 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 2 3 3 1 2 4 3 1 3 6 6 4 2 3 2 1 3 3 2 2 8 6 3 3 19 16 14 9 12 17 11 4 7 15 14 10 16 2 4 2 4 4 2 1 2 2 1 1 2 3 1 1 3 3 1 2 3 2 1 3 6 17 17 10 6 4 3 4 6 3 1 3 3 2 1 3 6 3 4 5 10 11 26 31 20 8 4 4 5 5 3 4 3 1 1 3 3 1 1 5 4 0 0 90 100 23 3 1 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 4 5 6 5 4 4 4 4 3 3 5 8 14 24 8 5 3 4 4 5 4 3 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 61 60 t 1H J 41 | 46 45 td 2H J 42 172 | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1Cl
ir: 2 1 4 16 4 4 5 12 8 3 1 3 6 7 2 3 8 5 9 14 6 27 100 21 9 5 12 3 1 1 1 1 1 2 6 14 5 2 6 18 5 2 3 1 1 2 2 1 1 1 2 2 4 2 4 1 1 1 1 1 0 0 1 1 6 10 11 0 2 2 1 1 1 1 2 2 6 4 6 30 11 9 19 6 6 13 28 8 3 2 2 6 5 4 1 5 44 2 2 1 4 1 1 1 1 2 2 10 4 5 1 2 2 1 1 1 2 3 1 1 2 5 5 8 11 7 4 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 2 19 15 6 3 6 3 2 1 1 1 2 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 3 2 1 1 0 1 5 2 2 6 6 7 16 8 2 2 3 2 2 2 3 13 60 13 1 1 1 1 0 1 1 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 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: 82 82 d 1H J 21 | 79 79 dd 1H J 22 97 | 77 76 d 1H J 97 | 32 32 d 2H J 85 | 20 19 tp 1H J 70 86 | 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.
COc1ccc2c(c1)c1ccccc1n2-c1ccccc1
ir: 2 2 1 1 1 1 1 0 1 1 1 2 1 1 1 1 1 4 3 1 1 3 3 2 1 2 2 1 2 4 1 3 4 3 2 1 10 6 9 3 4 22 22 34 3 1 1 0 0 2 1 0 2 8 31 5 1 2 1 1 1 1 1 7 3 3 3 12 13 13 1 1 2 8 29 10 2 3 3 1 1 1 1 6 1 0 0 0 3 2 1 0 0 1 0 0 0 1 0 2 1 1 0 0 0 0 0 2 1 0 0 0 0 0 0 1 1 3 2 5 9 4 6 2 3 1 0 2 5 1 1 1 2 2 3 28 2 8 4 2 2 12 23 9 9 14 6 4 1 13 2 5 23 4 2 2 1 0 0 0 4 4 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 1 2 2 4 6 7 15 1 47 62 100 52 9 6 3 4 2 1 2 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 18 75 | 76 76 m 1H | 76 76 d 1H J 27 | 76 75 d 1H J 81 | 74 74 m 2H | 74 73 m 6H | 69 69 dd 1H J 27 81 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCCS
ir: 7 3 4 6 7 3 3 3 4 2 4 3 1 3 2 3 3 2 1 2 3 1 2 2 1 2 3 3 7 3 1 3 1 2 1 3 2 4 3 2 2 4 10 1 18 31 14 18 6 5 2 4 1 1 2 6 3 4 4 4 5 7 7 9 7 7 2 3 8 5 4 2 2 1 2 3 3 2 3 7 7 6 8 10 9 24 33 64 51 100 31 24 12 16 12 6 0 2 3 2 1 2 4 1 1 3 2 10 5 8 10 5 4 13 16 9 6 14 28 7 5 3 3 4 1 7 3 3 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 3 4 6 8 13 6 4 4 2 4 1 8 7 7 3 4 2 2 1 1 2 2 6 18 4 21 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 35 34 dt 2H J 50 59 | 26 25 dt 2H J 56 68 | 24 24 t 1H J 59 | 17 16 m 4H | 14 14 t 1H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)C1CC1c1csc2ccccc12
ir: 5 6 24 5 2 3 5 3 1 3 5 2 6 8 7 3 2 10 5 5 5 4 4 1 2 3 3 4 7 6 16 3 4 3 6 1 21 10 11 2 12 66 78 50 15 3 4 3 5 6 5 1 4 5 5 2 8 35 27 8 5 9 11 13 7 7 5 7 4 3 4 2 6 9 5 6 5 5 9 2 4 4 7 3 9 15 16 10 6 10 6 2 3 3 4 6 4 3 3 2 4 2 3 3 4 6 4 8 7 14 11 6 7 2 1 2 4 3 3 4 5 3 8 11 11 6 5 5 6 3 2 2 4 2 1 9 8 5 17 28 5 8 6 6 5 12 17 23 43 34 12 11 10 10 6 5 2 2 3 10 2 1 2 3 3 1 2 3 2 0 1 3 1 0 1 3 1 0 1 2 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 2 2 2 2 2 3 3 3 11 7 8 9 32 39 100 67 40 13 10 7 9 5 2 3 6 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 78 78 m 2H | 75 74 m 2H | 73 73 d 1H J 9 | 37 36 s 3H | 30 29 m 4H | 28 28 m 1H | 15 14 dt 1H J 66 77 | 14 13 dt 1H J 67 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(OCc1ccc(C#N)cc1)c1cccc(C#N)c1
ir: 11 4 5 7 4 2 4 3 3 7 5 2 1 3 4 2 1 2 2 2 2 3 10 6 10 7 3 2 3 3 11 10 18 22 34 45 10 17 5 2 2 2 2 4 2 2 3 4 23 11 3 6 5 10 19 28 10 17 7 4 3 2 1 6 3 2 2 10 21 14 3 3 6 3 6 9 7 2 3 7 4 3 1 0 6 2 2 3 8 9 3 2 5 2 2 16 6 9 10 12 7 3 1 2 2 1 0 2 4 3 6 3 4 6 1 2 5 5 5 9 4 5 1 8 16 7 5 10 24 14 7 6 16 12 5 4 2 2 3 1 28 5 8 10 87 10 31 11 4 1 1 8 23 7 28 0 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 58 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 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 2 3 2 3 2 3 3 3 2 3 4 8 30 16 42 100 36 9 5 6 2 2 3 1 2 3 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 78 77 m 2H | 76 76 m 2H | 75 74 dd 1H J 63 70 | 74 74 m 3H | 51 51 m 1H | 47 47 dt 1H J 8 119 | 46 45 dt 1H J 9 119 | 42 41 q 2H J 66 | 31 30 dd 1H J 67 173 | 29 28 dd 1H J 66 172 | 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)N1CCc2sc(C)c(CCCl)c2C1
ir: 3 2 0 6 9 3 3 3 9 3 12 4 3 2 1 3 3 1 2 3 9 12 12 10 15 9 10 3 4 2 2 2 2 2 2 3 3 3 2 3 3 3 1 4 3 1 2 3 3 8 3 3 2 1 2 5 5 2 2 3 1 1 4 7 5 3 2 3 3 13 19 6 2 3 4 3 3 2 3 2 1 0 2 2 1 1 2 3 3 4 5 3 3 1 4 2 1 3 6 3 2 2 3 2 3 5 7 5 4 25 43 5 6 7 6 8 6 6 11 4 6 6 6 10 6 31 13 6 13 7 7 7 12 7 3 4 3 10 10 18 5 4 5 2 4 6 42 100 12 26 4 2 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 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 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 4 3 1 2 4 3 5 5 2 4 4 6 8 48 52 26 6 5 3 1 2 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 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 1 1 1 1 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; 1HNMR: 45 45 s 2H | 38 37 m 5H | 32 32 t 2H J 28 | 29 28 m 2H | 22 22 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](c2cccc(Br)c2)[C@H](c2ccccc2)C1
ir: 3 4 3 3 6 2 1 1 1 1 4 3 2 5 1 6 1 6 1 0 0 0 1 1 2 2 1 2 1 2 10 27 14 26 20 18 15 23 17 12 26 16 6 4 9 5 9 8 5 3 2 2 2 1 1 1 0 1 1 1 0 1 3 2 2 4 10 49 17 6 2 1 1 2 2 1 2 3 1 1 4 9 4 1 2 7 10 5 3 1 2 2 3 2 0 1 3 3 15 51 14 4 3 4 1 2 1 2 8 18 100 14 4 6 15 30 17 2 6 2 6 4 6 4 2 4 4 4 21 15 15 3 4 3 8 26 3 2 1 5 22 7 7 8 3 15 12 43 22 2 2 2 10 4 11 2 1 1 1 1 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 0 0 0 0 1 0 1 1 1 2 3 2 2 1 4 2 4 4 8 12 22 63 42 11 13 5 4 1 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 1H | 79 78 d 2H J 22 | 74 73 m 2H | 73 72 m 7H | 41 40 dd 1H J 29 119 | 39 38 m 2H | 35 34 ddd 1H J 58 85 121 | 33 33 m 1H | 32 31 m 1H | 22 21 dddd 1H J 37 58 86 130 | 19 18 dddd 1H J 58 65 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2c(-c3ccccc3)nncc2cc1Br
ir: 2 3 2 1 1 2 1 1 1 1 4 15 2 2 1 2 4 7 2 33 8 2 2 15 0 3 3 13 10 2 5 13 4 2 16 1 8 6 11 58 11 2 8 5 11 100 6 4 4 10 10 6 2 2 2 2 2 1 1 1 1 1 1 2 1 1 2 4 16 11 3 2 2 2 3 7 4 4 2 2 4 2 2 2 1 1 2 3 3 1 2 2 1 1 2 2 4 3 32 2 2 2 2 2 1 2 18 4 1 2 2 2 1 2 4 2 54 5 3 5 3 4 14 4 2 2 1 3 4 47 9 2 2 7 18 23 3 1 4 3 3 0 14 30 85 11 6 4 1 3 3 9 9 3 6 62 2 2 2 1 2 2 3 5 52 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 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 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 5 5 19 88 57 5 4 4 4 2 4 3 2 3 2 2 2 1 2 2 1 1 4 3 3 8 21 86 51 16 12 3 2 4 5 1 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 81 81 s 1H | 77 76 m 2H | 75 74 m 2H | 74 74 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.