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CCC(CC)c1cnc(NC(=O)OC(C)(C)C)c(C)c1
ir: 8 6 2 2 1 1 1 3 4 3 3 2 5 2 1 2 2 1 4 4 3 1 1 8 4 10 20 24 7 9 5 6 4 4 74 7 3 6 10 2 0 3 3 1 2 3 1 1 2 2 1 1 4 4 1 1 1 2 3 0 1 4 2 1 1 2 1 1 3 3 1 2 4 2 1 0 1 1 0 0 1 1 0 0 1 3 2 6 4 4 3 1 1 1 0 2 3 6 4 13 2 1 1 1 4 2 1 2 2 4 1 1 2 2 2 3 4 5 5 8 6 3 4 5 4 17 8 6 4 6 10 5 2 1 1 1 1 1 0 1 2 2 2 7 3 6 100 24 6 23 26 4 2 4 21 13 2 1 1 2 6 3 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 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 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 4 4 2 1 1 1 1 2 1 1 2 3 4 10 34 5 5 11 5 3 2 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 0 0 1 2 7 81 12 5 3 2 4 1 1 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 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 0 1; 1HNMR: 83 83 s 1H | 80 80 m 1H | 75 74 dd 1H J 8 15 | 27 27 ddtd 1H J 7 15 43 73 | 23 22 s 3H | 18 17 dp 2H J 69 128 | 16 15 dp 2H J 70 130 | 15 14 s 8H | 9 8 td 7H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC(O)c1csc(C(F)(F)F)n1
ir: 4 9 20 8 4 8 14 5 3 7 9 17 5 15 12 10 6 5 8 3 3 5 7 5 4 7 6 3 2 6 8 3 19 32 25 7 2 6 4 1 3 6 5 1 3 12 51 7 37 5 15 6 6 5 3 0 4 5 7 3 28 24 17 20 15 23 37 26 40 12 21 9 15 12 14 7 20 35 55 14 13 5 17 6 6 13 20 44 33 31 91 16 13 11 10 13 5 17 18 23 38 73 38 73 30 8 2 4 11 9 10 10 9 9 7 9 20 21 55 48 23 27 36 23 9 8 3 6 7 2 3 9 30 13 16 14 16 11 5 5 5 3 2 5 4 1 2 5 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 4 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 2 0 2 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 4 1 2 4 5 1 2 4 4 3 5 5 6 3 5 11 12 5 11 16 10 20 18 30 42 43 51 13 17 34 30 35 12 5 11 12 100 59 55 9 6 1 15 12 15 14 18 8 7 8 46 22 39 12 6 6 4 5 5 6 3 4 5 6 3 4 5 3 2 3 5 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 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 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 74 73 d 1H J 7 | 48 48 m 1H | 42 41 d 1H J 44 | 33 32 dtd 1H J 36 71 140 | 31 30 dtd 1H J 35 71 139 | 24 24 t 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC=C1CCN(C(=O)OC(C)(C)C)CC1
ir: 8 10 16 11 22 38 36 14 12 28 29 38 38 13 8 3 5 2 3 2 2 2 2 1 3 6 5 3 3 2 2 1 1 3 12 11 3 3 3 1 3 8 3 1 1 2 2 0 1 2 1 1 1 2 2 2 6 6 3 5 4 13 12 9 3 2 1 1 3 5 11 7 4 3 2 2 1 2 1 1 1 1 3 13 3 1 7 4 6 6 7 3 2 7 2 2 7 10 4 5 4 13 10 5 11 7 5 5 9 16 41 13 31 7 2 6 8 18 21 36 13 46 70 44 12 10 7 11 8 14 7 23 19 28 12 8 19 23 7 7 2 2 2 2 3 2 2 3 3 3 15 100 7 4 3 1 1 1 1 1 5 5 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 3 7 3 3 3 7 8 5 3 8 5 5 13 16 66 21 17 33 8 4 2 3 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 60 59 h 1H J 10 | 37 36 m 5H | 35 34 ddd 2H J 39 59 117 | 26 25 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2c(C#N)cnc3cc(Oc4ccncc4)c(OC)cc23)c(Cl)cc1Cl
ir: 1 4 3 4 2 4 5 3 3 6 7 4 4 5 4 2 13 4 7 5 4 3 3 4 6 3 2 3 4 4 4 5 6 2 2 2 3 5 2 2 2 2 4 5 2 3 4 5 5 2 2 6 14 3 2 1 1 2 2 1 2 5 5 3 3 3 4 9 13 13 11 43 7 4 4 3 2 2 2 1 2 2 2 1 1 1 1 1 1 1 4 5 10 2 3 2 2 2 5 4 1 2 2 26 3 2 1 1 1 3 3 24 3 2 2 2 2 2 1 2 2 2 3 6 2 2 3 3 3 14 3 1 2 1 2 4 1 1 1 1 1 5 2 1 1 11 4 24 9 2 4 5 13 21 1 1 17 3 7 100 11 3 22 8 3 1 1 4 1 0 1 2 1 1 1 2 1 1 1 2 1 0 14 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 2 1 1 1 2 2 1 3 7 12 64 33 3 3 2 2 1 2 2 2 1 1 2 2 2 2 1 2 2 2 1 4 8 2 27 42 8 5 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 m 3H | 78 78 s 1H | 77 77 s 1H | 75 75 s 1H | 75 74 s 1H | 70 69 m 2H | 67 67 s 1H | 39 39 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CCC=O)C(=O)OCc1ccccc1
ir: 11 15 8 5 6 4 5 14 10 11 20 21 18 10 19 5 8 5 9 16 9 5 4 2 3 5 3 4 9 14 26 8 4 0 1 3 5 1 11 46 57 15 13 5 8 4 8 5 2 5 4 7 6 8 11 4 4 8 4 2 3 6 8 4 11 14 30 36 17 33 8 14 4 1 3 3 2 4 7 4 1 1 7 18 36 10 9 6 11 48 14 14 2 4 18 17 13 11 22 7 4 12 14 20 34 11 3 4 9 8 10 16 18 34 17 41 22 18 38 22 12 13 4 12 13 12 11 10 21 15 18 14 6 9 21 31 17 5 4 1 2 12 46 73 52 100 55 37 67 58 23 16 5 11 2 2 1 1 1 2 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 0 1 1 1 4 10 13 4 7 10 17 4 8 4 5 5 5 8 74 73 4 52 70 47 36 10 3 5 4 3 0 2 1 1 0 1 1 1 0 1 1 0 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 tt 1H J 9 55 | 74 73 m 6H | 51 51 s 2H | 25 24 td 2H J 55 77 | 19 18 td 2H J 9 76 | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2ccc(C)c(Br)c2[nH]1
ir: 4 4 3 6 7 2 1 2 7 6 5 3 7 3 1 6 8 78 51 17 6 7 13 4 3 3 8 3 3 2 2 3 19 8 3 6 4 61 17 9 4 1 2 5 3 1 2 5 5 2 2 4 4 20 68 23 7 10 4 4 2 1 14 8 3 3 4 5 4 6 6 8 7 7 7 7 2 2 4 4 2 2 3 3 1 2 3 3 2 2 3 3 1 4 5 3 14 2 4 4 4 3 16 48 18 5 6 25 5 3 7 10 17 11 9 23 43 54 4 12 16 11 47 9 12 31 14 5 5 14 5 3 2 3 3 2 3 4 5 6 9 12 5 40 23 7 5 3 2 4 94 49 4 5 3 3 2 2 13 67 4 6 3 0 2 4 2 0 2 4 2 0 2 4 2 0 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 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 4 5 6 5 3 2 3 4 3 3 3 4 3 2 4 13 13 5 6 25 21 56 17 6 7 2 3 4 3 2 3 3 2 2 3 4 3 2 4 6 3 4 5 5 18 34 100 28 19 8 6 3 4 2 4 3 2 3 4 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 93 92 s 1H | 76 76 dd 1H J 22 79 | 73 73 d 1H J 21 | 72 71 dq 1H J 11 78 | 44 43 q 2H J 64 | 24 24 d 3H J 11 | 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.
Cc1ccc2c(n1)oc1c(-c3ccc(-c4ccccc4)cn3)cccc12
ir: 8 8 9 8 81 10 7 8 9 8 8 9 11 9 9 15 9 9 8 8 9 8 8 8 8 9 8 15 9 11 11 17 13 59 11 9 14 16 9 10 11 0 25 4 9 13 9 11 84 16 8 6 12 11 15 47 10 9 8 12 13 10 14 8 8 10 10 17 15 18 11 9 11 10 10 8 10 12 9 9 9 14 13 8 8 9 7 8 9 9 11 9 8 8 8 11 9 8 8 10 8 8 9 17 9 8 8 8 8 8 7 8 8 9 9 8 9 13 9 9 9 9 8 8 8 12 41 18 10 11 11 19 31 10 9 63 19 12 21 11 13 14 12 43 16 15 10 19 13 18 14 100 18 10 19 17 38 8 8 11 16 8 9 27 12 8 8 9 8 7 8 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 9 9 9 9 8 7 11 9 8 7 8 11 10 8 15 27 26 77 68 29 24 10 11 10 9 9 8 8 9 8 8 8 8 7 7 7 7 8 8 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8; 1HNMR: 89 89 d 1H J 20 | 81 80 m 3H | 80 80 dd 1H J 18 81 | 79 79 d 1H J 80 | 76 75 m 2H | 75 74 m 3H | 74 73 ddt 1H J 15 68 80 | 72 72 m 1H | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(C1CCCCC1)C1CCCCC1
ir: 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 2 2 1 1 1 1 1 0 1 0 0 1 0 1 1 2 5 9 7 12 8 1 1 3 2 11 5 1 1 0 1 4 7 7 4 3 10 12 2 1 1 1 3 1 1 2 14 1 2 1 1 0 1 1 1 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 2 2 1 2 1 1 1 3 4 5 16 14 12 48 30 25 20 22 16 37 23 3 12 5 5 9 6 6 5 2 1 4 2 4 2 1 1 2 1 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 2 2 2 4 4 4 7 9 16 6 15 8 17 8 18 24 16 48 100 25 7 1 2 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 35 35 d 2H J 108 | 22 21 p 2H J 75 | 18 17 m 4H | 16 13 m 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc(Cl)c(Cl)nc2c(N)c1Cl
ir: 1 1 1 1 1 2 1 2 2 1 0 1 2 2 1 20 1 3 5 1 0 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 10 3 2 1 1 1 1 1 1 1 1 1 1 1 8 3 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 1 6 6 1 1 1 1 6 8 2 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 22 1 1 1 1 1 1 1 1 1 0 3 100 23 3 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 49 49 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cnc1N1CCC(O)CC1
ir: 8 6 1 10 11 4 6 5 5 2 3 3 3 2 3 5 8 4 13 10 10 3 4 3 4 6 7 6 5 8 3 5 2 4 4 10 7 6 13 10 3 3 5 9 5 21 14 38 37 8 3 2 3 3 2 2 5 1 2 2 2 2 4 0 15 20 10 11 11 11 5 13 6 4 4 0 3 5 4 5 6 4 9 8 57 13 28 78 24 4 9 5 5 3 5 4 1 15 4 6 4 4 8 6 3 5 21 13 12 6 4 2 3 3 2 3 5 4 2 2 2 2 6 8 9 5 14 14 18 17 5 3 3 2 2 4 20 11 39 14 22 7 10 7 100 14 7 24 5 3 2 7 6 45 17 9 4 24 2 3 2 11 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 2 1 1 1 1 1 2 3 3 2 2 5 3 3 3 3 3 3 3 3 12 11 10 12 39 33 4 3 3 4 3 13 24 6 2 2 2 1 1 1 1 3 1 2 3 1 1 3 2 12 31 7 3 4 2 3 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 18 | 81 81 s 1H | 77 76 t 1H J 20 | 75 75 ddd 1H J 13 20 71 | 75 74 m 3H | 39 38 h 1H J 49 | 37 36 ddd 2H J 66 93 136 | 36 35 ddd 2H J 66 93 136 | 30 30 d 1H J 48 | 26 26 s 3H | 22 22 s 3H | 22 21 dddd 2H J 49 67 93 128 | 19 18 dddd 2H J 48 66 93 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cnn(-c2nccc(N3CCOCC3)n2)c1
ir: 2 3 3 3 0 1 1 2 1 2 7 8 4 4 5 5 2 7 16 9 3 3 4 3 6 9 4 3 6 4 6 5 4 5 2 1 1 1 1 9 2 2 1 1 4 2 1 1 1 1 2 2 3 3 4 4 3 6 26 100 33 20 9 10 6 25 6 5 4 2 4 2 13 17 14 5 2 3 2 13 5 2 2 2 4 2 2 3 2 2 1 2 3 16 6 6 4 4 6 2 2 4 5 7 2 2 1 1 2 1 2 9 4 1 0 2 2 3 3 14 90 11 6 4 1 6 3 2 6 5 8 2 18 7 3 4 9 12 6 12 34 23 6 17 31 89 22 16 53 32 12 28 9 9 6 8 9 38 65 18 9 6 4 0 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 2 1 2 2 9 4 4 27 16 4 3 4 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 40 | 82 82 s 1H | 79 79 s 1H | 64 64 d 1H J 42 | 38 38 dd 4H J 48 56 | 36 36 t 4H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(Cl)ccc(F)c2[nH]1
ir: 2 2 2 2 2 1 1 2 3 1 1 2 4 13 0 7 17 100 78 1 0 5 3 1 1 3 5 1 1 2 2 2 13 9 2 1 1 2 5 5 1 2 2 1 1 2 2 1 2 4 6 3 3 2 8 10 2 3 2 1 2 2 1 3 2 2 1 1 2 2 2 2 3 3 10 5 4 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 3 2 2 2 2 2 15 1 2 2 2 2 3 2 10 15 4 7 4 6 4 2 2 3 13 2 2 3 2 1 2 6 6 2 25 1 2 2 1 1 2 2 1 2 2 1 5 5 3 3 8 2 7 2 2 2 1 1 2 2 2 2 3 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 5 8 18 6 6 5 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 1 2 2 2 3 12 25 11 5 2 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 95 95 d 1H J 40 | 76 76 s 1H | 75 74 dd 1H J 48 70 | 73 72 dd 1H J 70 101 | 44 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nc(C3CCN(C4CC4)CC3)nn12
ir: 8 8 1 8 14 7 10 29 32 52 22 11 16 8 4 6 5 5 5 4 7 3 6 7 6 2 2 4 12 10 2 4 3 4 3 5 5 2 3 20 27 27 32 15 4 0 4 5 4 1 5 6 4 6 24 20 6 11 8 5 3 1 10 14 22 8 28 19 4 1 6 6 3 4 4 3 2 1 4 5 3 5 26 15 6 4 26 25 3 3 5 4 3 5 6 4 4 5 13 6 1 8 7 13 2 16 16 11 4 10 7 10 4 4 6 8 12 14 18 10 6 20 10 6 19 8 9 5 6 5 5 8 4 5 7 28 15 7 4 2 2 3 4 17 28 6 4 11 30 12 9 54 7 28 54 8 4 4 4 1 2 11 2 1 2 2 2 11 29 9 3 0 2 4 2 0 2 4 2 1 2 4 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 0 1 3 2 0 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 2 2 4 3 1 1 6 5 1 12 15 8 4 7 6 7 10 19 14 58 45 100 23 12 11 23 11 9 3 3 5 3 2 4 4 3 3 5 4 3 1 4 5 1 2 14 39 32 7 6 6 5 3 3 3 2 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 97 96 s 1H | 76 76 d 1H J 83 | 75 74 d 1H J 21 | 74 74 s 1H | 74 73 dd 1H J 21 83 | 32 32 p 1H J 51 | 30 29 ddd 2H J 75 103 126 | 28 27 ddd 2H J 75 103 126 | 24 22 m 3H | 21 19 dddd 2H J 51 75 101 154 | 11 10 m 2H | 8 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C#N)c(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)nc1C
ir: 23 13 10 19 11 7 6 4 7 6 9 5 5 3 4 3 10 6 9 14 3 3 3 2 2 1 1 3 8 12 13 16 31 16 7 5 6 5 8 14 17 92 16 6 5 6 3 3 3 4 3 2 1 3 1 4 8 4 11 15 6 1 4 25 18 14 14 28 32 25 4 6 10 9 9 2 18 19 13 10 63 4 18 59 10 11 7 7 5 8 2 1 1 3 5 5 8 7 14 26 17 3 8 5 2 2 3 4 14 7 26 5 10 15 7 11 10 9 1 12 7 4 6 23 12 9 13 4 19 16 7 3 12 10 11 14 16 8 5 33 79 33 68 10 31 100 21 8 6 8 79 32 46 37 5 9 3 2 2 5 6 5 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 3 35 4 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 3 2 1 2 5 3 4 3 2 3 2 6 11 37 5 16 60 44 11 49 25 8 5 4 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H | 79 79 t 1H J 9 | 77 77 m 2H | 75 75 m 2H | 72 71 tt 1H J 13 72 | 43 43 q 2H J 64 | 41 40 d 2H J 9 | 37 36 m 4H | 32 31 m 4H | 26 26 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(N)ncc2c1
ir: 9 6 6 7 15 6 9 7 10 13 19 11 4 4 4 3 2 10 5 9 17 5 6 6 3 8 5 6 9 18 9 10 10 4 7 2 5 3 3 4 4 2 2 4 3 2 3 6 2 6 2 3 3 15 7 8 5 4 7 5 2 2 7 4 2 7 42 18 11 5 3 1 5 4 6 7 7 8 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 5 4 15 2 3 2 4 6 2 1 2 26 4 3 1 1 2 1 1 1 1 1 2 3 2 2 2 2 2 1 1 2 2 3 3 2 2 2 2 1 2 2 3 2 19 12 4 2 4 5 6 19 16 17 31 5 6 6 23 64 54 17 49 30 15 100 19 6 1 2 3 1 0 2 2 18 7 1 1 1 0 1 2 1 1 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 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 5 7 9 44 24 14 5 1 1 3 2 1 2 3 1 0 2 2 1 2 4 41 71 10 2 2 1 1 2 2 1 2 6 10 71 17 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 d 1H J 19 | 78 78 dd 1H J 24 90 | 73 72 dd 1H J 16 24 | 70 70 dd 1H J 23 88 | 68 68 m 1H | 51 51 s 2H | 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(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nnc2CC(F)(F)F)C1
ir: 2 2 2 2 1 7 15 5 4 5 7 5 6 3 2 2 3 5 3 12 4 8 6 4 1 2 1 4 2 2 6 4 6 5 3 3 2 3 7 5 7 17 17 100 26 13 4 4 4 63 31 7 5 11 6 4 3 2 2 0 2 2 2 0 1 3 3 2 6 3 2 1 1 2 1 1 1 2 1 0 2 2 1 1 1 3 4 2 4 8 5 12 3 8 6 2 4 3 11 4 6 41 2 6 3 7 7 2 2 2 5 5 2 6 11 7 3 4 4 9 11 13 7 4 9 5 4 13 7 9 1 2 7 6 1 4 3 5 4 25 8 60 11 5 6 6 6 13 17 10 35 3 2 2 2 2 1 1 1 2 5 16 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 4 3 2 2 2 2 3 1 22 6 10 30 16 6 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 20 23 11 26 6 2 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 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 0 1 1; 1HNMR: 82 82 dd 1H J 17 80 | 80 80 ddt 1H J 9 20 31 | 78 76 m 3H | 74 73 dddt 1H J 8 20 37 84 | 73 72 dd 1H J 83 101 | 47 46 s 2H | 44 43 t 2H J 38 | 42 41 t 2H J 9 | 38 37 t 2H J 38 | 33 32 q 2H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccc1)c1cccc(Cl)c1
ir: 1 1 1 1 1 1 5 8 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 4 1 1 1 1 3 22 9 3 9 3 14 30 7 1 1 26 2 1 2 2 11 9 3 11 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 4 4 1 1 1 2 1 2 1 2 3 2 3 1 1 1 1 1 1 1 1 8 5 2 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 0 2 3 10 2 3 3 2 7 7 5 3 6 2 1 1 1 1 5 10 1 1 2 3 3 7 15 30 23 12 8 8 1 1 1 9 16 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 3 8 10 19 100 28 7 5 3 2 0 2 3 2 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 t 1H J 22 | 79 78 ddd 1H J 12 22 81 | 78 77 ddd 1H J 12 21 81 | 75 75 m 1H | 73 72 m 5H | 43 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)OC(C)(C)C)c(Br)c1
ir: 7 3 4 3 2 2 4 3 4 6 3 3 2 2 2 3 11 3 1 2 2 1 3 3 5 3 6 19 30 27 13 12 5 4 12 5 14 19 12 5 6 1 1 1 1 0 1 2 2 6 2 3 4 4 16 14 3 0 4 2 1 0 2 3 2 3 7 7 4 4 4 12 3 1 2 2 1 1 2 6 1 0 2 4 2 1 1 2 1 5 4 1 1 2 1 2 5 5 4 10 1 2 2 2 2 2 2 5 18 8 3 2 0 2 8 9 8 5 2 9 4 4 8 3 4 3 9 10 6 20 39 7 1 3 2 1 0 3 4 2 4 12 12 18 33 100 64 39 20 68 13 10 5 3 1 2 2 2 2 2 2 17 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 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 3 2 1 1 5 1 1 1 1 2 13 4 7 23 6 4 65 17 5 3 7 2 0 2 5 1 1 1 3 2 1 2 2 1 1 1 1 1 4 16 44 45 16 9 4 2 3 4 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 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: 77 77 d 1H J 85 | 75 75 d 1H J 21 | 72 72 m 1H | 56 55 t 1H J 61 | 40 39 q 1H J 33 | 38 38 dd 1H J 14 108 | 36 36 m 2H | 34 33 ddd 1H J 33 60 123 | 23 23 t 3H J 6 | 15 14 dddd 1H J 35 44 56 77 | 14 14 s 8H | 11 11 ddd 1H J 44 59 73 | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(Cl)cc(Oc2ccc(CBr)cc2)c1
ir: 1 1 2 3 2 3 1 3 4 5 8 8 2 2 2 2 6 4 2 1 1 1 1 2 2 3 2 2 7 4 3 2 3 4 3 3 7 2 3 3 2 2 1 1 2 1 1 2 2 1 1 2 4 2 12 38 49 16 5 38 6 0 2 6 6 22 100 27 17 23 5 2 1 1 1 1 2 2 1 1 1 1 1 1 1 12 7 4 4 3 14 26 8 5 3 3 8 3 1 1 2 1 1 2 2 2 3 4 3 3 1 1 3 6 1 1 2 1 1 1 3 2 12 4 5 6 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 11 19 6 6 6 11 3 2 3 10 44 62 35 3 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 3 2 2 2 3 5 8 32 14 27 42 89 97 19 10 6 8 15 5 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 dt 2H J 9 83 | 72 72 t 1H J 22 | 69 68 m 2H | 66 66 d 2H J 22 | 45 45 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2c(C)cnc(NCC(C)(C)C)c2n1
ir: 1 1 0 2 3 3 3 5 4 6 7 13 20 4 2 6 5 3 6 4 15 92 9 5 21 30 10 2 4 3 8 2 2 1 2 3 2 2 5 1 2 6 2 4 15 16 33 5 2 2 1 5 3 2 4 12 40 9 12 97 4 7 8 10 13 3 5 5 4 2 3 1 2 1 1 1 1 5 3 2 1 0 1 4 1 1 1 1 1 2 12 4 1 3 3 6 2 3 0 1 2 2 1 4 8 7 11 4 14 3 2 1 2 1 2 7 2 2 5 5 3 4 6 9 18 5 17 7 5 9 30 4 10 5 4 9 37 8 2 2 19 8 3 0 24 28 2 5 5 10 20 12 67 4 4 13 3 6 5 2 2 0 0 1 4 4 2 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 2 4 6 5 6 4 13 4 8 4 11 2 2 1 0 1 1 0 0 1 2 0 0 2 2 3 2 7 3 6 28 48 100 35 8 4 2 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 85 85 s 1H | 82 81 s 1H | 81 81 t 1H J 8 | 78 78 s 1H | 75 75 d 1H J 83 | 75 74 dd 1H J 15 82 | 73 72 d 1H J 15 | 70 70 t 1H J 53 | 39 39 s 3H | 39 39 s 3H | 36 35 d 2H J 53 | 26 25 d 3H J 7 | 10 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCC(O)CN[C@@H](CC(=O)O)c1ccccc1
ir: 6 7 4 3 6 9 15 12 27 24 9 34 40 15 21 12 2 11 12 6 25 43 23 12 9 18 3 5 3 2 2 8 4 2 2 8 5 5 6 15 24 52 7 6 10 13 4 9 6 11 11 24 11 28 27 10 11 11 6 1 5 3 5 6 10 3 13 12 4 7 4 7 12 4 5 11 6 15 34 46 14 10 5 5 4 3 11 13 12 21 8 5 2 3 3 3 2 3 4 4 3 2 6 3 3 7 5 5 6 16 6 11 8 2 5 6 5 8 8 13 10 17 12 7 11 8 5 5 8 5 7 9 10 17 5 29 29 12 6 3 4 4 22 23 11 2 5 3 1 2 1 1 2 2 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 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 2 3 3 5 1 7 4 6 2 3 3 4 4 16 19 4 48 17 2 3 3 2 2 11 79 68 100 19 10 6 3 5 3 6 8 18 37 13 11 3 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 50 | 73 72 m 1H | 45 43 m 2H | 39 38 tq 1H J 47 62 | 35 34 d 1H J 51 | 30 29 m 2H | 28 27 ddd 1H J 47 65 130 | 27 26 dd 1H J 66 171 | 16 15 dtd 1H J 60 92 141 | 15 14 m 1H | 14 13 m 1H | 13 13 m 1H | 13 12 m 14H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1c2cc(C)c3[nH]c(=O)c(C)cc3c2OC1CN
ir: 7 4 2 2 2 2 3 3 3 2 2 3 3 4 3 3 3 5 5 9 5 7 43 9 6 5 2 5 2 2 2 2 2 3 2 5 2 4 6 11 12 6 20 36 58 11 11 11 11 28 14 10 9 10 26 13 12 20 15 8 4 3 2 4 10 8 9 16 6 12 18 26 52 29 13 9 11 4 5 6 8 12 13 12 4 3 4 4 3 2 4 5 3 3 4 3 3 3 3 4 7 15 14 4 2 3 5 7 9 22 17 4 8 3 3 3 5 3 5 4 6 7 3 16 14 19 28 28 16 42 22 30 18 22 34 24 2 6 4 3 2 4 4 2 2 38 1 3 3 2 2 4 23 72 3 1 2 2 2 12 8 4 3 12 28 0 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 2 4 2 3 3 4 4 4 6 3 5 5 5 4 5 5 7 8 4 25 11 15 5 4 3 2 6 3 5 6 13 7 12 84 11 22 28 13 13 8 7 51 100 55 39 20 5 5 2 3 9 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 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 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 2 1 1; 1HNMR: 79 79 q 1H J 16 | 72 72 m 1H | 48 47 dt 1H J 23 66 | 33 32 dtd 1H J 22 67 119 | 32 31 m 1H | 31 30 dtd 1H J 23 68 121 | 23 23 s 3H | 22 22 d 3H J 15 | 20 19 t 2H J 67 | 19 18 dqd 1H J 53 74 127 | 16 15 dqd 1H J 54 75 127 | 9 9 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)N2C(=O)C(=O)c3cc(Cl)ccc32)c(OC)c1
ir: 3 3 2 3 3 22 43 50 23 17 28 26 12 11 4 3 5 4 8 6 7 5 3 2 1 3 3 2 1 2 2 1 2 6 22 18 9 3 3 3 4 2 2 2 2 33 9 2 2 1 3 4 6 16 100 17 4 4 3 6 6 3 4 3 3 9 29 41 20 2 2 5 7 3 2 2 2 2 2 3 3 5 30 63 24 28 8 16 6 4 4 2 2 2 1 1 1 2 5 5 28 6 1 1 2 1 1 1 3 2 2 1 2 3 4 13 16 6 7 4 3 2 1 2 4 2 2 5 5 2 1 1 1 1 1 1 2 1 2 24 11 14 2 3 2 2 8 6 4 7 18 14 33 11 19 0 2 3 2 1 2 31 23 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 4 44 41 27 12 5 4 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 25 | 79 79 d 1H J 80 | 79 78 d 1H J 91 | 76 76 dd 1H J 26 79 | 68 68 dd 1H J 23 91 | 67 67 d 1H J 24 | 38 38 s 3H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ncn(CC(C)(C)O)n2)cc(C)c1Br
ir: 11 15 19 12 5 8 5 12 26 2 12 7 13 13 13 19 18 24 9 3 12 24 31 9 8 7 6 2 3 5 2 4 5 9 11 6 10 14 7 2 19 23 6 4 3 8 7 2 1 2 3 3 2 1 2 1 3 13 9 17 19 7 8 21 15 9 7 1 4 19 25 15 9 9 11 5 5 14 22 12 16 33 24 11 16 10 11 6 5 1 3 2 4 23 31 9 10 10 9 12 6 34 20 4 5 31 24 16 7 5 3 3 3 8 12 7 8 12 5 11 3 7 1 2 4 8 11 2 13 21 18 23 33 14 23 3 3 2 1 1 3 13 6 1 1 2 2 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 2 4 4 4 1 2 6 3 0 4 6 8 0 10 39 28 22 17 51 47 7 4 2 4 22 24 100 63 8 4 3 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 9 | 76 75 s 2H | 40 40 d 2H J 9 | 31 31 s 1H | 23 23 s 7H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C2(c3cccc(Cl)c3)SCCCS2)csc1N1C(=O)c2ccccc2C1=O
ir: 1 1 2 1 2 3 2 2 6 1 4 6 4 4 2 2 4 7 1 1 1 1 0 1 1 0 0 1 3 1 2 1 3 4 1 4 3 2 2 14 83 14 8 4 3 2 4 8 26 6 2 0 1 1 3 17 12 2 1 3 3 3 1 2 2 10 6 3 7 5 1 1 1 1 9 2 3 1 0 4 3 0 1 2 1 1 1 1 0 4 2 0 1 1 1 0 0 1 2 1 1 1 1 6 1 1 10 9 3 15 3 3 0 3 2 2 9 10 3 8 3 1 1 1 1 2 8 2 1 4 8 56 100 2 0 2 2 0 6 4 10 3 1 1 4 2 0 1 2 2 2 11 6 8 35 61 11 2 3 8 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 1 4 1 1 1 1 1 2 5 12 5 9 34 8 21 11 2 2 1 1 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 2H J 31 50 | 78 78 dd 2H J 31 51 | 77 77 s 1H | 75 74 m 1H | 74 73 ddd 2H J 13 23 46 | 73 73 m 1H | 44 43 q 2H J 64 | 32 31 m 2H | 30 29 m 2H | 19 18 p 2H J 44 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCCCN1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
ir: 3 2 1 2 7 6 4 3 3 9 3 7 6 3 8 4 5 4 6 6 4 3 4 4 4 3 8 5 9 12 3 7 7 4 28 6 7 11 23 30 46 10 12 15 7 1 8 13 3 3 13 8 33 10 34 25 56 37 12 6 5 14 6 3 4 22 12 3 9 12 15 19 5 4 3 3 2 4 1 8 4 22 4 18 4 3 9 8 16 5 2 3 4 5 2 13 6 7 2 5 11 20 6 3 6 3 2 3 10 6 13 20 46 61 63 39 57 47 18 13 27 14 11 5 10 11 10 11 10 13 22 22 9 5 4 3 2 2 2 4 3 3 3 7 6 8 16 46 13 13 3 5 22 1 2 2 2 1 1 1 1 2 0 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 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 3 3 4 6 4 6 2 2 2 3 5 3 19 17 31 71 24 14 5 8 4 3 3 2 2 2 3 3 3 1 3 3 6 11 21 100 20 13 5 3 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 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1; 1HNMR: 73 73 m 4H | 71 70 m 4H | 47 47 d 1H J 10 | 37 37 dt 1H J 50 71 | 36 34 m 4H | 33 32 dt 1H J 40 70 | 31 29 m 5H | 29 28 dddd 1H J 27 40 56 137 | 19 18 m 1H | 18 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
ir: 20 11 4 12 8 5 2 5 4 9 6 28 42 8 5 16 7 15 33 20 11 14 13 15 5 7 3 9 3 12 5 5 1 4 3 11 10 9 2 3 2 2 63 7 3 2 1 4 5 8 4 0 2 2 2 3 3 3 3 0 3 9 4 3 2 9 10 3 2 6 2 1 1 1 3 4 1 2 4 7 2 1 21 9 9 100 39 1 1 1 1 0 1 1 1 5 6 8 5 2 4 1 0 1 1 3 2 12 22 8 3 2 1 1 1 1 2 2 2 4 10 6 2 2 2 1 1 2 5 6 5 11 30 19 21 53 63 36 6 1 0 2 3 1 1 3 3 17 14 62 16 2 2 1 1 1 1 1 1 2 1 0 1 1 1 0 0 0 0 1 1 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 1 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 2 1 2 1 1 0 1 1 1 1 1 3 1 3 25 7 11 26 12 1 2 2 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 4 2 26 26 21 11 13 6 7 2 2 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 0 0 0 0 0 0; 1HNMR: 81 80 m 2H | 78 77 ddd 1H J 16 75 88 | 76 75 td 1H J 13 77 | 63 63 s 1H | 39 38 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(CF)ccc1CBr
ir: 3 3 5 3 3 5 4 5 7 7 8 12 4 5 7 5 3 4 4 5 3 3 3 3 3 4 4 4 4 9 20 15 9 11 15 6 4 3 3 3 4 3 14 14 9 5 7 5 7 15 10 11 13 40 48 40 13 6 6 4 3 3 4 7 17 24 19 14 47 6 4 3 2 3 3 2 2 2 2 2 3 3 3 4 2 3 3 4 3 4 6 12 37 16 28 11 9 6 6 13 4 5 4 5 12 15 4 6 7 3 4 3 3 3 3 4 5 4 5 4 5 5 10 13 11 8 10 8 6 6 4 3 2 2 2 3 2 2 2 3 3 5 24 12 4 3 2 2 5 34 14 3 11 31 9 5 3 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 3 0 25 1 2 2 2 2 2 2 3 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 3 2 2 2 2 3 3 3 3 8 10 7 4 3 5 3 3 7 21 24 19 34 58 100 26 5 4 4 5 3 1 3 2 3 2 2 3 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; 1HNMR: 75 75 tt 1H J 8 18 | 73 72 m 2H | 55 55 t 1H J 8 | 54 53 t 1H J 8 | 45 45 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CNC1CCC1)n1nc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(CC)nc21
ir: 2 3 2 3 2 2 2 10 20 9 5 5 4 2 3 4 5 6 5 12 9 4 2 2 2 1 1 2 4 2 2 2 2 2 4 14 22 7 6 4 17 14 10 10 12 15 12 3 6 5 6 20 24 18 17 2 3 2 11 4 7 5 9 15 4 1 3 6 5 7 33 6 5 18 18 9 3 3 3 2 6 13 4 3 1 5 4 2 15 17 2 3 2 2 7 8 1 3 5 7 29 12 2 3 4 13 8 12 5 7 11 41 10 8 17 26 27 9 9 6 4 6 9 12 34 20 4 9 13 10 7 11 8 13 9 20 23 21 26 47 4 6 3 2 4 23 6 3 3 7 23 4 6 18 5 1 1 2 3 67 1 2 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 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 3 2 1 1 2 1 2 2 8 10 6 22 23 9 6 17 14 16 21 14 2 6 3 21 7 2 2 1 1 2 1 1 1 1 3 7 6 22 100 15 6 3 2 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 86 | 74 73 m 1H | 52 51 dt 1H J 16 34 | 51 50 dt 1H J 13 36 | 43 43 q 1H J 39 | 40 40 s 2H | 39 39 dt 2H J 14 37 | 32 31 pd 1H J 6 65 | 31 30 h 1H J 40 | 28 27 q 2H J 77 | 25 25 s 2H | 19 17 m 5H | 16 15 m 2H | 14 13 d 6H J 66 | 13 12 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(C(=O)Oc2ccc(C(=N)N)cc2C(=O)c2ccccc2)cc1
ir: 22 12 3 14 5 16 5 12 3 19 27 13 20 14 37 35 19 18 13 9 24 14 22 6 9 14 15 4 9 7 6 24 26 29 40 30 16 22 31 14 8 5 4 4 4 5 4 5 5 5 3 10 10 8 14 11 16 30 5 2 8 9 4 3 13 5 8 16 13 16 10 3 3 4 7 2 4 3 5 3 2 3 1 1 2 3 3 7 6 3 3 1 2 4 10 2 2 4 5 3 3 2 3 4 11 4 1 2 1 4 4 16 5 3 2 2 4 8 4 5 5 5 1 12 23 13 44 10 2 5 2 3 1 7 3 4 11 32 16 10 15 34 39 32 18 43 14 26 12 51 41 72 26 20 15 19 3 3 3 2 2 3 3 19 9 2 1 2 1 2 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 0 1 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 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 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 2 3 0 3 9 7 15 57 66 49 17 11 2 5 3 3 4 4 1 2 2 3 3 12 25 5 42 42 7 3 12 11 26 12 8 4 3 9 92 100 10 2 3 1 1 0 1 1 1 1 0 1 0 0 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 80 80 m 2H | 80 79 d 1H J 21 | 77 77 m 2H | 77 75 m 4H | 75 75 m 2H | 74 73 d 1H J 87 | 68 68 s 1H | 54 54 s 2H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2ccc(N3CCCC3)cc2)cc1
ir: 3 2 2 1 1 3 1 1 2 1 0 1 3 2 0 2 2 1 0 2 1 0 0 1 1 0 0 2 2 3 12 9 1 1 2 2 1 2 1 3 8 47 21 2 3 3 1 2 2 0 1 2 2 3 42 65 13 3 4 18 10 7 4 2 1 1 2 14 5 1 8 55 4 4 2 2 2 1 5 3 2 1 1 2 4 5 2 2 2 2 3 3 3 6 7 7 4 2 3 2 1 1 2 2 1 4 6 8 6 3 4 2 1 3 4 3 1 5 4 1 1 2 2 1 2 2 2 1 0 2 3 1 1 1 5 11 2 1 1 1 4 14 84 44 16 4 2 4 2 15 18 4 6 20 18 2 1 1 2 8 2 2 1 1 11 11 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 2 2 3 2 4 9 6 4 59 100 59 10 8 5 6 4 2 1 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 76 76 m 2H | 75 74 m 2H | 74 73 m 1H | 73 73 m 2H | 68 68 m 2H | 34 34 m 4H | 22 21 p 4H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(CBr)c(CC2CC2)c(Br)c1C(C)C
ir: 0 1 1 1 1 2 3 2 3 1 2 1 2 1 6 7 16 10 5 19 25 1 2 1 1 2 2 1 1 1 3 1 2 2 3 6 13 20 6 5 5 5 9 14 25 15 6 6 2 5 4 1 3 1 1 1 1 2 2 1 1 2 1 1 1 5 2 3 4 2 2 2 0 10 2 6 5 3 1 1 1 1 1 2 2 1 2 4 2 1 1 1 1 1 2 2 2 1 2 3 6 7 2 3 1 5 2 2 3 3 9 2 2 1 3 5 1 6 12 21 8 10 5 6 8 9 4 4 4 5 3 4 13 11 17 23 7 3 3 6 4 1 2 2 4 4 2 6 2 5 12 83 100 10 2 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 2 1 1 1 2 2 3 9 6 4 4 5 14 9 15 20 19 5 3 4 8 5 11 3 2 1 0 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 0 0 0 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: 47 47 s 2H | 40 39 s 2H | 32 31 hept 1H J 72 | 28 28 d 2H J 73 | 16 15 tp 1H J 59 74 | 14 14 d 6H J 73 | 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.
COc1ccc(C#Cc2ccnc(Cl)n2)cc1NC(=O)C(F)(F)F
ir: 3 2 3 3 4 4 4 2 4 2 3 2 2 3 7 2 3 9 4 4 2 3 3 2 2 2 3 2 3 3 4 8 8 16 48 34 10 6 10 4 16 23 36 31 17 11 7 15 32 1 6 5 5 3 3 7 7 2 2 3 2 2 5 4 9 4 3 2 4 17 6 5 17 7 7 6 24 2 3 3 5 2 2 2 2 2 3 3 2 2 2 3 2 2 2 3 3 5 19 10 3 2 2 3 4 3 1 2 3 2 0 10 21 5 5 5 2 4 4 2 3 3 3 2 2 2 3 2 3 3 1 22 34 9 4 3 2 6 11 5 20 4 3 5 5 3 100 19 26 9 5 4 5 9 17 100 52 2 3 2 2 4 8 7 3 2 2 2 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 5 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 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 3 2 4 3 4 4 12 49 15 3 2 4 3 1 2 2 2 1 2 3 2 2 2 2 2 2 3 5 5 4 14 20 23 14 6 4 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 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 1 2 2 2 2; 1HNMR: 85 85 d 1H J 42 | 84 84 q 1H J 9 | 79 79 d 1H J 21 | 73 72 dd 1H J 22 82 | 72 72 d 1H J 42 | 70 69 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.
Clc1ccc(Br)c2c1CO[C@H]1CCNC[C@@H]21
ir: 1 1 1 1 1 1 0 3 1 1 0 1 1 1 3 1 2 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 4 1 1 1 1 1 0 1 1 2 2 1 9 2 1 5 13 8 100 6 2 1 5 2 1 4 7 3 2 1 1 2 1 1 1 8 4 9 0 1 1 6 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 4 1 2 4 2 1 1 1 3 1 1 1 2 5 4 2 4 9 13 7 10 6 20 10 13 5 1 2 2 2 1 1 1 1 6 3 9 1 1 1 3 6 1 1 1 1 1 1 10 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 8 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 2 2 1 2 4 1 5 9 9 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 40 53 16 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 74 74 d 1H J 77 | 73 72 d 1H J 77 | 51 51 d 1H J 145 | 50 49 d 1H J 145 | 40 39 ddd 1H J 25 43 51 | 34 33 tt 1H J 40 49 | 33 33 dt 1H J 49 123 | 32 31 ddd 1H J 23 42 51 | 31 30 m 2H | 30 29 m 1H | 20 19 dddd 1H J 24 32 58 139 | 17 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(-c2cc(C(F)(F)F)n3ncc(-c4ccncc4)c3n2)c1
ir: 9 8 6 5 3 9 3 4 4 6 7 18 33 6 8 5 3 7 11 14 5 6 6 30 3 4 2 8 5 9 31 43 37 18 47 9 5 3 3 3 3 3 4 3 9 5 6 13 26 2 3 3 3 3 3 11 3 5 3 2 3 5 4 4 8 32 6 1 88 17 18 13 100 43 52 14 7 7 5 7 15 12 15 5 10 6 4 5 4 6 3 29 28 10 8 6 14 12 31 37 37 7 9 5 0 3 6 5 4 18 10 49 13 17 10 22 14 5 5 6 1 47 13 29 66 39 9 19 15 6 4 4 5 4 3 37 6 4 10 17 5 48 11 6 6 6 3 6 8 10 11 12 5 7 6 4 7 0 3 10 50 2 81 5 30 20 5 0 3 6 3 1 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 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 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 5 7 10 8 11 26 99 45 47 19 6 6 7 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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; 1HNMR: 88 87 s 1H | 86 86 m 2H | 82 82 q 1H J 16 | 82 81 t 1H J 21 | 78 78 dt 1H J 19 106 | 78 77 dd 1H J 68 107 | 77 77 m 2H | 76 75 ddd 1H J 15 22 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccnc2ccc(OC)cc12
ir: 8 13 8 8 0 36 10 2 2 3 3 4 1 3 2 2 2 2 3 7 7 9 4 1 1 1 1 1 7 3 6 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 2 1 1 3 9 40 99 6 4 18 28 4 1 3 7 5 6 13 17 14 2 3 10 10 4 2 2 2 2 2 10 2 2 1 1 1 1 1 5 1 1 1 1 4 2 1 2 6 21 19 1 2 2 1 1 1 1 1 1 2 4 7 3 1 3 3 15 18 19 13 9 5 2 2 2 1 2 6 2 1 2 2 1 2 1 1 1 3 8 8 5 8 25 41 7 4 33 11 2 14 3 3 15 19 2 3 10 31 22 8 4 8 2 1 1 0 1 2 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 4 3 16 11 13 61 24 100 10 6 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 49 | 80 80 d 1H J 83 | 78 78 d 1H J 48 | 77 77 d 1H J 26 | 73 73 dd 1H J 27 82 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CC1NC(C(=O)NCCCN)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1
ir: 1 1 1 1 0 2 1 1 2 2 3 3 1 2 4 2 4 2 2 2 2 2 5 5 6 6 4 6 12 3 4 10 5 15 9 11 2 3 8 17 5 6 4 8 6 19 7 18 26 30 27 39 6 8 10 10 32 23 11 10 3 2 2 6 2 3 3 1 6 8 16 16 10 21 8 13 3 3 3 8 12 9 13 3 1 1 2 3 6 3 4 2 3 2 1 1 2 1 2 3 5 1 2 1 1 2 2 3 6 22 5 39 10 5 6 11 7 14 12 5 4 11 14 15 8 12 4 6 19 27 11 21 25 12 32 19 13 3 3 7 33 4 3 2 7 22 21 14 6 7 2 4 3 0 8 3 1 0 0 1 4 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 2 1 2 1 1 3 5 6 9 8 8 32 16 13 2 5 2 2 1 2 1 6 6 4 8 11 13 7 7 11 18 100 24 24 35 12 4 3 3 1 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 74 73 m 4H | 73 72 m 2H | 68 67 t 1H J 45 | 44 44 dd 1H J 8 66 | 43 43 dt 1H J 49 62 | 40 40 dd 1H J 55 66 | 38 37 m 1H | 32 31 qd 2H J 45 53 | 29 28 tt 2H J 50 61 | 18 17 p 2H J 52 | 17 16 t 2H J 62 | 14 13 dd 1H J 48 130 | 11 11 dd 1H J 48 130 | 8 8 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)NCCn1c(-c2ccc[nH]2)nc2c(C(F)(F)F)nc3ccccc3c21
ir: 0 4 4 2 2 1 2 3 1 1 2 3 3 2 2 5 1 2 2 2 2 5 8 6 24 7 1 7 13 31 11 24 3 5 4 2 3 6 6 4 3 7 17 9 23 11 4 6 2 3 6 1 2 3 2 1 2 8 2 0 1 2 3 1 2 3 1 1 1 2 3 1 2 3 3 6 7 5 2 1 2 2 3 10 12 8 1 1 5 5 5 2 2 2 2 1 7 47 22 4 2 3 1 2 2 1 1 2 2 3 1 3 3 4 3 1 3 2 0 4 4 2 5 3 3 5 3 2 9 3 2 2 3 6 3 19 13 14 8 6 3 3 9 23 38 15 100 11 22 11 8 4 2 0 1 13 2 1 2 3 1 2 1 2 1 0 2 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 2 2 1 1 2 2 2 7 10 4 24 19 6 8 22 6 6 3 2 2 2 1 1 2 2 2 1 2 3 3 2 3 6 8 38 10 24 19 5 5 6 3 2 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 d 1H J 68 | 84 83 dd 1H J 15 77 | 82 81 dd 1H J 14 75 | 81 80 td 1H J 11 70 | 76 76 ddd 1H J 13 69 79 | 73 72 t 1H J 36 | 72 71 dd 1H J 17 65 | 70 70 ddd 1H J 16 32 66 | 64 63 dd 1H J 33 66 | 46 45 t 2H J 37 | 41 40 s 2H | 37 36 q 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1
ir: 2 9 7 35 18 7 5 6 6 6 6 4 2 7 14 30 53 42 0 9 11 3 6 6 4 2 1 7 10 5 5 7 5 3 2 4 3 5 12 16 17 17 4 6 5 5 2 3 3 2 2 2 5 30 47 24 5 2 4 3 2 0 2 3 3 7 17 15 16 12 4 8 2 21 12 5 3 5 5 4 1 1 4 4 7 4 2 3 3 10 3 2 2 2 2 1 1 3 6 6 2 5 5 7 1 1 3 2 2 6 8 2 1 2 4 2 1 4 8 7 7 11 9 17 22 6 6 3 4 11 19 3 4 5 10 30 10 11 5 2 3 3 9 18 10 7 7 3 23 100 28 9 7 8 2 2 3 12 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 2 1 3 2 2 2 3 3 5 4 7 10 13 32 71 12 8 9 6 3 3 2 1 1 2 2 2 2 3 3 3 1 1 2 2 5 24 35 49 14 15 5 10 10 6 3 1 1 3 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 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 2H | 74 73 m 2H | 73 73 m 2H | 72 72 dd 1H J 26 90 | 68 67 d 1H J 90 | 55 54 s 1H | 54 53 d 2H J 10 | 53 52 q 1H J 43 | 51 50 t 2H J 9 | 31 30 d 3H J 42 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(=O)n(NC(=O)CC34CC5CC(CC(C5)C3)C4)c(C)nc2s1
ir: 17 3 3 2 2 3 4 4 2 3 1 1 2 2 2 6 15 6 5 2 5 1 1 6 7 12 2 7 16 28 35 5 11 11 3 1 3 5 2 4 14 45 31 12 10 6 6 20 10 15 30 26 7 4 22 72 9 15 11 3 2 2 1 2 4 4 2 0 4 6 46 7 1 0 2 9 20 3 2 2 0 0 2 4 4 2 3 4 1 1 4 24 7 3 1 1 1 1 1 2 1 2 1 6 1 2 3 6 13 10 9 25 10 19 10 5 5 4 5 4 9 4 4 3 1 9 50 8 4 2 9 14 5 5 6 9 13 43 69 2 0 6 9 100 41 20 9 10 11 2 1 9 67 16 4 16 37 2 22 18 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 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 2 1 1 1 1 1 1 2 1 1 5 3 3 5 8 16 8 10 8 6 6 8 15 22 37 23 7 0 8 11 9 8 3 1 2 3 1 1 1 2 1 2 1 2 1 1 1 2 9 13 24 94 33 11 8 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 97 97 s 1H | 72 71 s 1H | 28 28 s 2H | 25 24 d 5H J 119 | 21 20 dqd 3H J 50 58 107 | 18 17 dt 3H J 57 130 | 16 15 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C
ir: 6 3 3 3 5 2 1 2 1 2 0 2 1 2 2 4 7 4 9 4 5 1 0 2 8 5 2 6 3 3 1 1 0 1 1 1 5 4 4 7 8 1 0 1 1 1 2 1 2 0 1 10 10 17 100 9 13 10 5 6 13 4 3 22 18 6 2 4 2 3 3 17 1 2 2 7 3 2 2 2 0 1 3 2 16 10 14 2 3 4 11 6 3 4 7 7 6 2 4 26 6 0 2 1 0 1 10 5 4 2 5 5 51 8 3 11 9 8 10 20 6 7 7 8 4 8 38 27 5 18 11 4 4 1 1 1 4 1 0 1 1 1 4 9 16 2 1 2 2 4 4 36 12 4 2 0 1 1 1 1 0 0 0 1 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 1 1 0 2 7 6 7 6 1 2 1 1 1 3 2 8 13 23 66 96 16 59 29 10 14 3 6 6 2 1 2 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: 80 79 dq 2H J 14 108 | 78 77 m 2H | 37 37 s 3H | 24 24 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
ir: 2 2 2 3 3 2 2 3 3 2 2 2 2 2 3 3 6 2 3 2 3 5 20 3 5 4 4 6 6 3 8 6 12 10 4 7 4 3 3 2 2 5 3 2 7 7 32 10 3 3 3 7 12 39 44 20 11 3 3 2 2 2 2 2 4 5 18 10 5 3 2 4 2 4 3 2 2 2 2 2 3 2 3 4 5 10 11 8 20 10 4 4 2 4 4 3 5 3 3 4 4 3 3 3 2 8 9 4 4 5 2 3 3 5 4 4 3 2 2 4 3 2 3 3 3 5 5 6 8 9 7 6 4 2 2 4 6 5 15 18 6 4 3 13 100 13 4 2 3 5 27 1 2 7 4 2 2 7 3 0 2 4 3 2 7 6 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 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 2 3 7 3 5 9 11 5 4 3 2 3 4 13 5 4 3 3 2 2 2 3 4 2 2 3 7 3 5 15 13 12 7 8 5 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; 1HNMR: 89 88 s 1H | 86 86 s 1H | 85 84 s 1H | 78 78 dd 1H J 22 32 | 74 74 ddd 1H J 22 35 77 | 72 71 dd 1H J 78 102 | 40 39 ddd 2H J 71 99 154 | 39 38 h 1H J 48 | 37 36 ddd 2H J 70 97 153 | 30 30 d 1H J 48 | 22 21 dddd 2H J 49 71 99 128 | 19 18 dddd 2H J 49 71 99 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1ccc(CC(=O)OCc2cccnc2)cc1
ir: 19 16 12 15 2 4 3 2 1 3 2 2 3 7 7 1 2 1 2 3 2 3 5 3 4 23 10 10 33 7 13 9 16 73 51 15 10 6 15 9 3 2 5 9 28 17 3 1 3 2 1 3 7 5 6 7 38 25 5 4 15 4 9 9 8 2 6 21 10 31 28 4 2 1 1 2 2 6 10 11 8 3 3 1 1 1 2 4 2 3 11 11 5 6 9 11 3 14 7 10 2 5 35 97 6 3 2 3 4 5 10 27 100 3 4 4 1 8 6 15 22 62 11 12 19 18 14 11 7 3 2 2 1 2 2 1 1 3 11 12 3 3 4 5 67 15 3 6 29 29 7 17 19 14 4 3 2 3 21 29 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 2 5 10 4 3 2 5 5 4 5 19 26 28 50 37 71 13 9 9 8 1 4 6 4 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 m 2H | 78 77 dtt 1H J 9 20 77 | 76 75 dd 1H J 43 76 | 72 71 dt 2H J 9 83 | 70 70 dt 2H J 9 85 | 53 53 t 2H J 8 | 36 36 t 2H J 8 | 25 24 dt 2H J 9 70 | 19 18 dp 1H J 70 139 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CN(Cc2ccc(O)cc2)C(=O)C1CN(O)C=O
ir: 9 6 7 7 5 6 5 6 5 7 6 5 5 6 6 5 5 5 7 11 7 6 7 7 6 7 8 5 5 9 6 8 4 5 4 5 5 9 5 5 5 6 5 6 5 6 6 4 5 5 5 5 6 5 8 8 26 8 6 5 4 4 4 4 5 4 5 5 4 23 5 7 6 8 4 6 5 7 6 78 39 5 9 10 4 6 15 26 19 16 15 8 8 24 7 7 10 7 6 6 6 5 5 5 10 10 0 12 8 7 9 5 5 4 5 6 7 11 7 14 11 6 6 5 5 6 11 5 5 5 4 8 7 5 6 6 5 5 4 4 5 4 4 5 5 7 5 30 26 58 7 5 12 5 5 5 5 23 5 5 4 5 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 6 4 5 5 7 7 6 5 6 4 6 8 6 8 8 7 16 36 7 7 5 5 6 11 5 100 13 4 5 5 5 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 96 96 s 1H | 82 81 t 1H J 9 | 76 76 s 1H | 71 71 dq 2H J 9 83 | 68 67 m 2H | 46 46 dt 1H J 9 126 | 45 44 dt 1H J 10 126 | 39 38 ddd 1H J 9 54 119 | 36 35 ddd 1H J 9 55 119 | 34 33 dd 1H J 38 112 | 31 31 dd 1H J 39 113 | 28 27 dt 1H J 53 77 | 20 19 dtt 1H J 38 64 77 | 17 15 m 1H | 14 12 m 5H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1COS(C)(=O)=O
ir: 6 8 5 6 12 10 8 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 3 3 2 1 5 7 6 1 73 11 4 1 2 4 7 7 5 4 4 1 1 3 1 15 11 3 2 1 1 2 1 1 1 3 33 25 34 14 50 36 8 6 3 2 4 6 1 1 2 3 1 2 6 84 100 47 24 6 4 3 3 2 2 3 8 20 35 39 12 5 3 1 1 1 1 1 1 1 5 3 3 3 2 3 2 5 9 14 9 3 4 3 2 1 1 1 2 1 0 1 1 1 5 45 6 1 1 3 3 13 18 3 1 1 11 27 2 0 1 1 1 1 0 1 2 3 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 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 1 1 0 2 4 3 1 1 3 2 1 11 63 19 19 22 51 12 8 7 3 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 73 72 m 1H | 72 71 m 2H | 71 70 m 1H | 51 51 d 2H J 9 | 31 30 s 2H | 27 26 qd 2H J 8 75 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cn2nc(I)ccc2n1
ir: 0 2 1 1 0 1 1 1 0 1 1 1 0 1 2 3 1 2 3 14 3 7 5 1 2 4 1 2 2 8 1 0 1 1 1 1 1 2 1 0 1 2 16 100 5 1 1 1 2 1 1 4 2 1 1 0 1 1 1 1 14 59 8 6 2 1 3 19 9 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 1 0 10 1 0 1 1 0 1 1 1 2 23 0 0 1 1 0 1 1 1 1 1 49 1 2 1 1 1 1 1 3 4 7 10 5 4 1 1 1 1 2 2 6 5 9 2 1 1 4 8 15 2 3 0 3 38 80 13 33 4 1 4 5 1 5 3 2 0 1 3 1 0 0 1 1 0 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 2 2 6 2 5 2 3 13 44 19 45 7 8 3 4 5 2 4 1 1 2 2 2 14 7 1 3 4 3 28 58 11 6 8 4 4 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H | 79 78 d 1H J 84 | 78 78 d 1H J 84 | 77 76 q 1H J 56 | 30 29 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O
ir: 5 3 5 5 4 4 14 9 4 3 3 3 3 14 1 3 4 3 2 3 4 3 2 3 3 3 6 6 3 2 2 3 3 3 4 4 4 2 2 4 3 2 3 3 3 2 3 3 3 2 4 4 4 3 24 13 5 10 3 4 3 2 3 5 6 6 5 4 5 6 14 6 3 4 20 6 11 3 4 3 3 3 3 3 2 3 8 3 2 2 3 3 2 3 4 6 3 3 3 3 2 3 4 3 3 8 3 3 3 3 4 3 2 3 4 3 5 4 4 4 2 4 4 5 2 4 4 4 3 4 32 12 3 3 3 3 2 3 4 12 3 3 3 3 4 8 4 5 11 3 4 9 11 4 3 2 3 4 3 1 3 15 3 100 8 0 3 5 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 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 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 7 8 5 13 27 7 19 6 6 4 3 8 4 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 3 3 2 3 3 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 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; 1HNMR: 76 76 m 2H | 74 73 m 2H | 62 62 q 1H J 14 | 38 38 s 2H | 24 24 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1F
ir: 5 5 4 3 5 5 9 9 3 3 4 3 3 3 6 4 3 2 2 2 2 2 5 1 2 3 14 4 6 3 2 3 6 4 16 7 2 5 5 2 40 18 3 14 31 5 3 10 12 37 75 40 16 67 100 15 6 2 10 2 2 4 9 12 9 9 14 13 13 7 5 1 3 3 5 3 2 1 1 1 1 1 2 2 1 1 1 2 3 2 2 8 3 9 9 7 20 10 6 3 8 8 9 8 7 26 20 9 4 2 4 8 7 4 9 5 0 4 6 7 10 6 4 4 7 4 14 8 11 10 7 3 3 1 3 2 4 2 3 29 7 6 8 8 18 15 22 15 19 34 11 4 12 3 4 13 6 6 92 0 11 84 13 1 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 1 1 1 4 3 4 4 5 4 2 4 9 9 4 23 42 29 18 7 2 4 2 2 2 2 2 2 1 2 1 2 2 2 2 3 8 4 4 6 16 27 65 49 52 10 5 2 2 2 4 3 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; 1HNMR: 98 98 d 1H J 48 | 73 72 ddt 1H J 9 48 79 | 72 71 m 3H | 70 69 dd 1H J 47 92 | 48 47 s 2H | 38 37 m 5H | 27 26 qt 2H J 10 72 | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1onc(-c2nonc2COc2ccccc2)n1-c1ccc(F)c(Cl)c1
ir: 3 12 6 2 2 3 38 21 38 11 2 2 4 2 2 1 5 2 3 4 3 7 2 1 1 2 3 2 5 4 7 6 11 5 3 5 3 35 6 11 35 21 11 1 3 10 3 2 9 2 10 8 3 5 7 38 3 2 1 1 2 1 1 2 8 5 14 22 12 27 14 2 2 2 1 1 3 8 5 4 2 2 1 2 3 3 2 1 4 2 5 2 2 2 2 4 7 2 1 2 20 2 1 6 8 4 2 5 33 2 2 1 2 3 1 1 1 1 2 5 2 1 2 7 5 6 27 3 2 2 2 41 2 4 11 13 10 3 3 19 2 8 5 29 13 3 12 3 8 100 7 19 37 32 12 3 1 2 1 1 1 31 1 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 1 2 2 1 2 2 2 4 10 24 15 84 32 17 4 3 3 3 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 dd 1H J 22 32 | 75 74 ddd 1H J 21 36 86 | 73 73 m 3H | 70 70 tt 1H J 15 75 | 70 69 m 2H | 55 54 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(Cl)cc3)c21
ir: 1 2 2 2 2 2 2 2 3 2 2 2 2 6 2 8 6 2 3 3 7 2 2 2 3 2 2 1 2 2 2 2 2 2 2 2 7 5 7 21 4 3 2 1 2 3 2 2 2 2 2 1 2 4 3 7 5 2 1 1 2 2 2 1 2 2 1 2 4 3 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 3 2 2 2 2 2 2 3 2 2 2 2 2 1 1 1 2 10 2 2 2 1 1 2 1 1 2 3 2 2 2 4 2 3 2 4 3 4 2 1 2 2 3 2 2 2 2 2 2 2 2 2 3 2 1 3 4 2 2 3 5 3 5 2 2 2 1 2 5 100 7 2 0 2 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 4 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 3 3 5 11 8 4 3 2 3 2 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 2 2 1 1 2 3 31 2 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 t 1H J 22 | 79 79 d 1H J 22 | 74 73 m 2H | 72 72 m 3H | 69 69 s 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)(CO)NCc1c2ccccc2cc2oc3ccccc3c12
ir: 2 2 3 4 6 3 3 11 10 1 5 4 11 14 13 9 13 5 3 1 18 8 3 3 3 2 2 2 1 1 2 2 1 2 2 2 1 3 6 1 2 6 15 37 8 4 26 13 9 7 3 8 9 0 2 4 1 1 2 6 8 8 5 2 2 2 10 18 4 2 3 5 6 4 7 10 3 1 3 2 2 3 4 4 28 20 26 47 14 24 44 5 5 5 2 4 2 4 2 1 1 4 3 4 3 14 8 2 2 2 4 4 2 3 1 2 18 35 22 9 2 3 4 2 3 2 2 2 1 4 6 3 1 4 16 7 7 7 8 14 3 2 2 1 2 3 3 3 12 4 4 2 2 2 3 7 1 1 7 0 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 2 1 3 2 2 1 2 2 2 1 1 2 4 3 2 2 5 4 3 5 23 34 9 11 6 8 3 81 100 19 7 4 1 2 3 2 3 2 2 4 15 23 5 3 2 2 2 2 2 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 dd 1H J 14 71 | 80 79 dd 1H J 15 91 | 79 78 ddd 1H J 12 24 76 | 77 76 m 2H | 76 75 td 1H J 15 75 | 75 74 ddd 2H J 13 70 85 | 74 73 td 1H J 14 90 | 46 45 t 2H J 57 | 43 42 t 1H J 52 | 41 41 d 2H J 53 | 37 36 dd 2H J 57 114 | 34 34 dd 2H J 57 114 | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC1(C(=O)OCC)CC1
ir: 2 4 9 5 4 3 2 4 1 4 11 5 17 20 4 2 2 2 2 2 8 5 1 2 2 0 1 2 2 1 11 5 2 1 1 1 5 6 2 2 2 6 3 6 6 20 4 3 3 1 2 6 1 1 1 1 4 1 1 1 1 6 7 1 2 2 3 6 7 7 12 60 19 6 4 5 14 4 2 2 2 1 4 4 2 5 4 3 14 6 9 4 3 28 7 5 33 9 8 1 1 1 2 2 0 2 2 2 32 2 2 2 2 4 7 15 5 14 14 3 7 17 16 14 7 5 18 2 5 20 5 3 2 4 4 3 4 21 15 9 2 3 3 12 12 100 30 5 6 2 5 35 9 2 1 2 3 1 1 3 3 0 1 1 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 2 2 1 2 2 5 5 6 3 4 1 41 38 27 22 12 4 31 13 2 13 31 30 13 14 27 4 2 1 1 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 58 57 m 1H | 51 50 ddt 1H J 13 24 160 | 50 49 m 1H | 42 41 q 2H J 60 | 21 21 qt 2H J 15 68 | 18 17 td 2H J 9 69 | 14 13 m 2H | 13 12 t 3H J 61 | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(N(Cc2ccccc2)Cc2ccccc2)CC1CC
ir: 2 3 3 1 2 2 3 2 8 3 3 2 4 4 2 2 1 1 2 1 0 1 1 3 4 1 1 2 4 4 9 2 4 5 2 1 1 3 3 3 100 6 4 4 3 3 2 3 2 1 2 1 2 1 1 1 1 0 0 1 4 2 10 4 3 0 4 8 18 8 2 1 2 2 5 5 5 1 7 5 1 1 2 5 4 1 2 1 5 14 13 10 12 3 3 2 2 4 8 5 4 4 4 5 4 6 3 4 9 5 2 3 3 4 2 4 3 3 1 4 3 4 4 3 4 6 3 3 5 2 3 8 8 5 8 23 10 7 3 3 3 0 5 38 72 6 8 0 1 1 1 6 12 4 1 0 0 1 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 0 0 0 0 0 0 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 1 4 2 3 0 4 4 3 2 15 20 21 30 40 10 5 3 2 2 2 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 73 73 s 7H | 42 41 m 2H | 38 37 d 2H J 124 | 36 36 d 2H J 125 | 32 31 p 1H J 57 | 26 25 dt 1H J 56 93 | 23 22 dt 1H J 57 123 | 21 20 m 2H | 20 19 dt 1H J 56 122 | 19 18 dt 1H J 60 120 | 16 15 dqd 1H J 50 73 124 | 13 12 m 4H | 9 8 td 3H J 14 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(F)cc1
ir: 5 3 2 3 3 2 2 3 3 2 2 2 3 2 6 4 5 2 3 3 4 1 1 2 2 2 2 2 2 6 5 3 3 1 1 5 2 2 1 2 2 5 2 3 3 2 2 4 3 1 2 9 4 19 62 18 8 8 5 3 5 3 3 4 3 6 7 10 14 9 4 4 7 8 5 3 4 7 8 7 3 3 9 15 23 100 95 36 16 11 8 6 2 4 5 3 5 4 3 3 2 5 5 5 7 4 6 5 8 6 6 5 5 5 4 4 3 7 9 13 10 8 5 5 2 3 4 3 3 3 2 4 2 2 4 2 2 2 2 1 2 2 5 3 5 9 39 8 3 5 27 7 16 0 1 3 2 1 1 3 4 6 6 4 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 2 2 2 2 3 4 3 3 2 3 4 4 4 3 6 6 6 12 15 27 61 31 60 61 14 9 9 11 7 6 28 40 2 6 8 4 2 3 2 2 1 2 4 2 2 3 3 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H | 72 72 m 3H | 50 50 d 2H J 57 | 40 39 t 1H J 58 | 32 30 ddtd 2H J 9 67 77 137 | 28 27 q 2H J 73 | 13 12 m 15H
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(Sc2ccccc2Br)CC1
ir: 2 1 2 2 3 5 3 2 2 4 6 6 1 1 4 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 2 0 2 9 100 4 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 3 0 1 1 1 1 1 1 0 1 1 1 1 3 2 2 2 1 2 2 2 2 1 1 1 1 2 4 7 3 4 2 1 4 2 4 2 7 2 1 1 3 3 3 2 4 2 2 1 9 16 6 2 1 1 1 1 1 1 1 3 4 3 1 3 29 2 1 1 1 3 0 1 1 1 0 0 1 0 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 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 4 4 5 9 6 2 33 3 4 2 2 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 dd 1H J 13 75 | 74 73 td 1H J 13 70 | 73 73 dd 1H J 18 70 | 72 71 td 1H J 19 73 | 38 37 ddd 2H J 49 77 125 | 35 34 ddd 2H J 49 77 125 | 34 33 p 1H J 44 | 22 21 m 2H | 20 19 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)O)nc1
ir: 0 1 0 4 4 2 1 0 1 0 1 3 3 8 11 2 1 1 1 1 2 1 10 8 15 4 1 1 1 2 3 3 3 3 2 2 4 3 2 1 4 4 2 0 0 0 1 2 0 1 0 1 10 10 4 29 4 1 0 1 0 0 0 0 0 0 1 5 4 3 2 1 1 1 1 1 1 2 2 4 20 4 4 2 0 1 1 1 1 2 1 1 1 1 2 1 0 0 0 0 1 0 1 4 16 3 0 0 0 0 0 2 1 1 2 7 2 1 1 1 2 2 3 3 1 1 2 3 4 1 0 1 1 1 3 12 2 7 5 8 2 1 3 14 6 0 4 1 2 3 6 4 9 1 1 0 0 0 0 0 1 3 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 1 0 2 5 4 4 10 27 8 8 2 3 1 3 1 9 8 100 16 3 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 dt 1H J 10 19 | 79 79 d 1H J 80 | 78 78 d 1H J 21 | 77 77 d 1H J 69 | 76 75 m 2H | 38 38 d 2H J 9 | 24 24 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.
COc1ccc(CCN2C(=O)N(NCc3ccncc3)CC2c2ccc(C)c(C)c2)cc1
ir: 3 1 2 2 8 1 2 1 3 3 3 7 11 12 6 2 2 4 6 2 1 2 3 2 1 17 14 7 2 5 3 5 11 13 7 1 7 4 21 11 21 43 32 23 8 19 5 21 14 7 4 7 16 14 58 11 10 17 15 4 7 5 5 11 6 16 10 4 11 22 9 13 11 9 6 5 3 3 1 0 1 2 3 1 3 9 4 6 8 10 8 1 1 3 21 9 12 15 12 13 6 2 1 1 2 2 1 1 2 11 8 20 18 30 60 14 5 10 15 8 21 12 22 15 5 16 7 20 21 15 13 11 1 3 4 4 9 1 2 1 4 2 2 5 2 4 4 29 22 18 13 5 9 9 100 7 3 0 4 30 6 3 2 1 1 0 1 1 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 0 2 1 1 2 3 3 5 3 5 2 2 2 3 3 8 24 14 24 43 25 21 2 3 3 4 4 1 3 2 2 2 4 4 2 3 5 6 23 85 90 10 7 3 2 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 86 85 m 2H | 73 72 dt 2H J 9 43 | 72 72 dq 1H J 11 84 | 71 71 d 1H J 21 | 70 70 dq 3H J 8 80 | 69 68 m 2H | 50 49 t 1H J 55 | 47 46 m 1H | 43 42 dt 2H J 10 54 | 40 39 dd 1H J 39 113 | 38 37 m 4H | 37 36 m 2H | 30 28 m 2H | 23 23 d 3H J 10 | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCCCCCCCCC(=O)OCc1ccccc1
ir: 1 0 0 1 1 1 2 2 2 1 1 1 3 1 2 2 1 4 4 2 9 8 7 7 2 1 1 2 1 1 1 1 1 1 0 0 1 1 3 8 7 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 1 1 3 3 4 9 4 4 0 1 0 1 1 1 3 2 0 0 0 0 1 1 2 3 1 1 1 1 1 1 0 1 1 3 1 3 2 2 4 2 0 2 2 2 4 3 3 2 0 1 1 1 1 1 2 1 2 1 2 1 0 2 2 1 1 1 2 2 7 9 11 7 4 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 0 0 0 0 0 0 0 0 0 0 0 1 2 1 3 1 1 1 1 0 0 1 2 6 1 2 6 3 2 1 1 0 1 2 5 42 100 3 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 74 73 m 5H | 51 51 s 2H | 24 23 dt 4H J 87 117 | 17 16 m 4H | 13 12 m 9H | 13 12 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1cc(-n2c(=O)cc(C(F)(F)F)n(N)c2=O)ccc1Cl
ir: 6 4 5 7 10 6 4 3 4 4 4 4 4 4 3 3 3 4 5 4 3 3 3 4 4 4 3 3 3 4 4 3 4 4 5 10 16 7 5 7 7 7 6 5 4 3 4 4 4 5 20 41 18 3 13 10 5 5 4 4 3 3 4 5 6 11 18 18 4 5 4 3 5 4 5 4 9 6 6 6 7 4 4 4 4 4 4 4 4 8 4 5 5 3 3 5 5 4 11 72 9 4 2 3 5 4 5 5 8 3 3 4 4 4 4 4 21 7 4 4 4 4 4 4 4 6 4 6 5 4 4 3 5 5 5 20 6 4 3 3 5 9 5 4 5 11 100 12 13 4 4 3 4 6 4 0 49 3 3 4 3 4 6 23 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 4 4 4 4 5 5 4 5 20 7 6 4 3 3 4 4 3 3 3 3 3 3 3 3 4 3 8 31 10 4 4 3 3 3 3 3 3 4 10 17 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 77 77 dd 1H J 7 21 | 76 76 d 1H J 91 | 74 74 dd 1H J 22 92 | 64 64 q 1H J 14 | 58 58 s 2H | 56 55 d 1H J 7 | 37 36 dq 2H J 60 112 | 36 35 dq 2H J 61 113 | 13 12 t 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(-n2cnc3ccccc32)cc1OC(C)C
ir: 6 7 9 8 5 9 5 6 6 7 12 22 12 8 4 5 10 5 5 6 7 11 9 16 8 6 6 7 10 47 7 5 5 5 6 5 5 7 6 6 6 11 28 100 7 6 5 4 6 5 13 6 5 13 7 4 4 4 5 21 5 4 5 4 4 4 5 5 9 11 18 17 15 12 10 16 9 11 6 8 6 6 11 10 6 6 8 14 5 6 5 4 4 4 4 4 6 7 6 7 10 18 6 6 5 4 5 5 6 6 6 60 22 5 7 5 5 6 13 6 11 8 5 6 7 7 6 14 10 6 9 5 4 4 4 5 5 5 13 10 5 5 5 6 71 25 11 0 18 6 24 6 8 4 6 8 11 9 27 15 7 8 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 5 5 4 5 6 8 6 45 21 13 34 53 38 14 7 6 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 87 86 s 1H | 81 81 dd 1H J 14 71 | 78 78 dd 1H J 15 68 | 75 75 td 1H J 14 69 | 74 74 td 1H J 13 71 | 65 65 s 1H | 47 46 p 1H J 57 | 39 38 s 3H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(Oc2cnc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC#N)CC1
ir: 3 5 5 6 6 9 13 6 3 9 8 6 4 6 6 9 12 6 4 3 5 7 3 3 6 12 3 2 2 3 11 11 5 15 8 5 82 100 23 29 11 5 5 3 5 4 3 6 12 2 5 4 2 2 10 26 14 7 5 4 3 2 6 9 6 6 6 4 11 8 4 3 7 5 8 31 6 9 5 2 4 4 5 9 25 15 1 3 11 30 37 20 11 6 5 6 7 4 6 13 10 7 5 5 8 9 13 21 32 12 4 8 9 15 16 15 27 49 13 11 26 32 21 39 25 17 6 13 19 15 16 10 9 6 13 34 42 16 4 3 5 6 11 5 2 1 2 3 15 13 20 34 18 7 2 4 4 2 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 5 4 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 3 4 8 15 14 9 14 15 7 3 4 5 12 68 21 11 23 20 16 25 5 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 d 1H J 16 | 78 78 d 1H J 22 | 71 71 t 1H J 19 | 50 50 s 2H | 46 45 p 1H J 47 | 38 36 m 4H | 29 29 dd 1H J 47 74 | 29 28 m 2H | 26 25 ddd 2H J 51 79 119 | 23 22 tt 4H J 63 142 | 22 21 ddt 2H J 49 79 128 | 19 18 ddt 2H J 49 79 128 | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccccc3)CCCC2)cc1
ir: 1 1 3 2 1 5 4 1 4 8 14 15 7 9 20 15 7 11 18 13 53 22 11 5 5 5 3 3 3 1 3 4 3 4 3 4 4 2 2 5 21 4 2 4 2 3 2 3 2 9 9 3 5 12 22 7 10 5 2 1 1 1 1 2 2 2 5 5 11 6 5 6 5 4 7 16 14 29 25 50 31 30 15 6 9 3 2 2 11 5 2 1 1 1 3 1 1 4 5 5 5 2 0 1 2 1 0 1 1 2 1 1 1 1 1 4 6 3 6 3 4 13 3 3 1 4 4 7 12 3 8 2 1 1 2 18 9 2 1 3 6 11 17 56 37 24 24 2 1 10 2 4 13 4 6 1 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 3 3 2 2 2 1 1 1 2 4 20 16 7 100 38 14 4 7 2 2 1 2 3 44 5 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 25 | 76 75 m 2H | 75 75 d 1H J 69 | 75 74 dd 1H J 24 70 | 74 72 m 5H | 71 70 m 2H | 54 54 t 2H J 8 | 47 46 s 2H | 30 29 m 1H | 29 28 dt 1H J 59 152 | 27 27 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1cccc1C(=O)c1ccc(OC)cc1
ir: 1 2 4 2 3 2 3 3 6 4 5 2 5 3 3 2 2 10 6 5 7 5 7 8 2 4 2 1 2 2 1 1 4 7 7 5 11 17 12 25 30 57 27 30 6 12 16 19 3 3 4 3 6 39 20 56 25 25 8 7 7 7 9 9 12 6 8 11 8 18 16 26 13 10 10 5 4 6 4 7 5 6 6 4 2 3 4 4 9 9 12 9 8 6 8 2 5 3 4 2 1 1 2 2 0 2 4 3 10 19 4 2 2 3 4 5 14 31 28 18 8 11 9 8 7 8 12 4 3 3 4 2 1 9 26 33 25 8 7 21 23 12 11 12 34 48 14 7 9 15 31 17 10 9 8 4 2 4 5 6 4 8 14 7 3 3 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 3 5 4 3 5 6 5 8 14 22 16 44 59 20 100 57 46 55 29 30 7 6 4 4 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 73 73 ddt 1H J 8 17 52 | 71 71 dd 1H J 16 68 | 71 70 m 2H | 64 63 dd 1H J 51 68 | 59 58 ddt 1H J 55 108 163 | 53 52 dq 1H J 16 108 | 51 50 dq 1H J 14 163 | 48 48 dq 2H J 13 53 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cn1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1=O
ir: 2 2 4 3 2 3 2 4 2 3 4 11 8 4 4 7 4 5 4 12 32 29 91 21 5 23 6 2 2 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 5 4 5 4 39 35 15 5 3 4 15 3 1 2 3 2 1 6 3 2 2 4 3 2 1 2 3 3 3 7 17 20 15 5 4 3 4 3 3 3 5 3 6 3 3 6 3 3 3 7 5 3 4 7 6 2 3 3 3 5 3 4 6 3 3 5 3 2 6 3 2 2 4 7 6 4 9 12 10 3 3 3 3 24 9 6 3 2 4 4 3 2 4 3 3 4 42 5 4 3 28 3 2 10 8 3 2 2 2 3 13 3 3 8 9 4 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 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 4 4 2 5 5 3 3 3 5 3 2 9 6 3 1 2 3 3 1 2 4 2 0 7 100 4 5 2 1 3 3 2 2 3 3 4 7 5 5 28 13 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: 88 88 s 1H | 74 73 s 1H | 44 44 s 2H | 21 20 m 4H | 19 19 d 6H J 53 | 18 17 dt 3H J 57 128 | 17 16 dt 3H J 58 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1ncc2cnc(Cl)cc21
ir: 3 6 3 4 3 1 0 2 3 1 0 1 2 1 2 2 2 1 1 3 9 8 1 3 3 1 1 2 2 0 1 5 19 14 3 2 1 1 9 8 1 2 2 1 1 1 1 2 1 1 2 2 1 1 2 4 20 1 2 2 1 2 2 2 2 5 15 17 1 0 1 2 1 0 2 3 2 1 1 2 6 4 1 2 1 1 2 1 1 1 2 1 1 1 3 5 6 2 2 1 1 1 2 3 2 4 10 5 1 2 2 1 1 2 2 2 1 2 4 2 3 4 7 2 1 2 3 2 4 4 7 25 19 9 7 2 1 1 2 1 1 1 2 1 2 2 1 13 12 2 2 1 1 2 1 1 1 2 1 0 1 2 100 11 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 1 1 1 1 2 1 1 2 2 2 3 3 6 6 2 10 7 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 d 1H J 18 | 81 81 d 1H J 17 | 78 78 s 1H | 48 47 hept 1H J 46 | 15 14 d 6H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NC(C)(C)N=NC(C)(C)C
ir: 4 20 10 3 4 4 3 2 4 4 5 2 6 2 2 2 2 1 1 3 3 1 1 2 2 2 3 5 7 0 20 90 89 41 18 2 2 5 4 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 7 3 16 4 5 9 10 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 2 1 1 2 2 2 4 2 2 1 1 2 5 1 9 4 2 1 1 1 1 1 1 2 4 2 7 9 7 9 2 3 2 2 6 15 35 12 10 2 2 2 1 1 2 3 24 3 4 8 36 35 11 3 2 4 100 19 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 5 2 2 1 1 1 1 1 1 2 6 4 8 23 9 4 3 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 3 2 14 60 7 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 66 66 s 1H | 37 37 s 3H | 17 16 s 6H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)NO
ir: 5 6 5 5 4 5 6 6 4 3 4 5 4 4 5 9 4 5 6 3 9 6 10 6 4 4 4 2 3 8 13 10 16 14 7 8 22 15 20 18 18 23 24 10 12 9 20 8 12 7 5 5 3 3 2 3 2 3 2 1 2 3 2 1 2 3 3 6 21 9 3 2 3 3 4 2 4 4 3 4 5 11 9 10 5 4 2 3 3 2 1 3 7 27 18 19 71 17 9 10 8 3 1 9 14 5 0 4 4 2 1 3 5 13 17 7 4 3 1 2 3 1 0 3 3 4 3 6 10 6 2 2 3 2 2 6 13 11 7 6 5 4 2 3 15 35 13 33 19 6 6 14 6 2 2 5 13 6 3 6 3 4 4 10 4 1 4 3 2 0 2 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 2 3 3 2 2 7 5 11 16 8 15 19 81 19 9 8 4 8 12 19 73 43 21 10 9 7 3 5 4 4 3 6 4 7 12 15 100 66 9 3 4 5 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 0 1 2; 1HNMR: 98 98 d 1H J 35 | 90 89 m 2H | 81 80 t 1H J 22 | 80 79 ddd 1H J 13 22 75 | 79 78 m 1H | 78 77 m 1H | 77 76 m 1H | 76 75 m 2H | 75 75 dd 1H J 75 103 | 74 74 ddd 1H J 13 23 104 | 68 67 d 1H J 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)cc2c1C(Nc1ccc3cc(NS(=O)(=O)N(C)C)ccc3n1)CC2
ir: 5 13 8 13 17 15 18 15 31 7 11 13 13 16 5 9 4 7 9 14 15 24 18 7 16 14 12 9 8 11 8 6 13 7 29 15 18 14 16 6 12 6 5 6 6 8 13 7 6 5 5 4 5 46 15 100 27 8 5 7 6 10 27 50 5 7 27 17 30 23 32 68 29 8 9 9 5 7 7 5 2 2 4 3 4 7 15 10 11 17 42 68 19 16 19 20 91 20 2 3 3 4 8 11 6 6 6 4 11 25 15 11 8 5 4 4 5 6 6 4 4 6 9 11 10 11 13 17 9 12 13 28 10 5 12 10 9 5 21 6 71 4 4 4 5 5 55 18 11 5 10 0 86 15 6 11 15 21 12 2 8 6 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 2 3 3 3 3 2 3 4 3 4 7 3 10 4 17 20 29 15 9 6 4 4 4 3 3 3 2 3 3 3 2 1 4 5 6 7 11 11 55 52 26 19 15 25 27 18 6 8 5 5 4 3 3 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 82 82 s 1H | 81 80 dd 1H J 21 83 | 79 78 d 1H J 82 | 78 77 t 1H J 22 | 75 75 dd 1H J 22 82 | 71 70 d 1H J 84 | 68 67 m 2H | 66 66 d 1H J 22 | 47 47 dt 1H J 48 70 | 39 38 s 3H | 30 29 dddd 1H J 9 55 73 147 | 29 28 dddd 1H J 9 55 73 147 | 28 28 s 5H | 25 24 dddd 1H J 47 55 73 130 | 24 24 s 2H | 22 21 dddd 1H J 46 55 73 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Cl)c1CCC#N
ir: 1 1 2 1 0 1 1 1 1 5 2 2 3 3 0 1 2 1 2 2 1 2 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 10 39 91 4 7 2 3 7 2 2 1 2 2 2 3 1 3 3 2 1 2 2 1 1 1 2 1 1 2 1 2 4 2 1 1 1 3 1 1 1 1 1 1 2 1 3 13 5 3 2 3 2 0 1 1 1 1 2 5 3 2 1 1 2 2 5 5 2 2 1 1 1 1 2 6 7 1 0 2 3 4 3 2 1 2 1 1 2 1 1 2 2 5 7 14 27 8 3 1 2 1 2 2 1 0 1 2 2 0 0 18 9 14 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 21 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 5 2 3 3 2 5 2 3 5 5 12 2 13 100 42 7 3 4 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 m 2H | 68 67 m 1H | 38 38 s 2H | 31 30 t 2H J 61 | 29 28 t 2H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(Br)cc1F
ir: 9 5 9 5 7 7 9 7 4 4 6 4 4 4 10 6 3 3 3 2 1 3 4 7 8 5 4 3 3 3 2 1 0 2 2 3 1 4 2 2 1 4 3 2 3 4 3 2 3 8 6 2 8 10 21 15 13 7 2 1 2 2 2 7 6 9 28 32 5 2 3 3 3 4 8 3 3 2 1 1 5 2 1 0 2 3 2 3 3 4 5 12 26 21 9 4 10 12 13 6 8 9 8 2 3 1 1 1 2 2 2 5 8 15 11 4 6 6 5 17 21 10 3 6 4 4 5 6 7 9 5 5 2 2 1 2 2 1 2 3 8 13 32 33 30 45 12 15 51 19 6 27 26 3 3 2 2 1 1 4 7 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 1 2 4 3 1 1 3 4 10 6 6 4 3 3 6 6 28 16 23 41 100 73 35 6 9 3 1 2 2 2 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 dd 1H J 21 121 | 74 73 ddt 1H J 9 46 82 | 73 73 dd 1H J 21 81 | 42 41 q 2H J 66 | 37 36 dd 2H J 8 32 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCC(C)(C)CC1
ir: 15 6 1 4 5 3 5 4 2 3 3 4 5 5 2 2 2 1 2 1 1 1 1 4 9 4 4 5 3 5 1 1 1 1 1 2 2 2 3 6 6 2 3 3 2 2 4 8 3 3 2 5 3 2 5 8 3 5 2 1 2 5 12 20 5 6 4 6 5 2 5 3 10 6 6 14 4 2 2 4 1 1 1 1 1 1 2 1 2 2 2 2 4 2 5 3 5 10 17 5 5 12 12 24 55 40 38 9 6 5 11 9 10 11 14 13 16 8 12 17 22 23 6 9 8 7 16 9 7 10 11 12 16 10 7 12 11 13 1 4 5 2 5 26 100 36 23 5 2 4 2 1 0 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 3 5 4 5 4 5 10 4 8 6 7 6 11 3 17 39 58 15 10 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 42 41 q 2H J 66 | 23 22 d 2H J 70 | 21 20 ddddt 1H J 15 25 44 71 101 | 17 16 m 2H | 14 13 m 7H | 13 12 t 3H J 66 | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCC4)cc1
ir: 17 19 19 20 17 18 19 18 18 18 19 18 18 19 20 20 19 19 19 18 18 18 19 19 19 19 19 18 18 20 21 19 18 20 19 18 18 19 20 19 19 22 23 100 21 27 32 23 21 19 32 23 20 31 32 67 24 38 23 19 19 25 19 25 20 20 20 20 19 21 20 18 19 19 18 17 19 21 18 18 18 18 18 17 18 19 18 23 21 21 19 18 20 19 19 19 34 21 17 18 22 21 28 20 20 19 21 27 21 18 17 22 19 19 19 19 24 23 20 21 20 22 19 19 19 19 18 25 23 28 28 48 20 19 17 18 30 18 18 19 19 20 26 26 22 18 17 21 25 50 43 33 24 17 18 28 25 0 37 13 18 23 19 16 18 19 18 17 18 19 18 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 18 18 18 18 17 18 18 17 18 18 18 17 18 18 18 17 18 19 18 18 18 19 20 19 18 18 19 20 19 20 20 22 29 30 26 74 36 36 25 22 25 20 18 18 19 18 18 18 18 18 18 18 18 19 18 18 19 19 18 20 30 62 25 22 27 19 19 18 19 18 17 18 18 18 18 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18; 1HNMR: 83 83 d 1H J 60 | 78 78 m 2H | 71 70 m 2H | 38 38 s 3H | 30 28 dddt 2H J 10 39 64 77 | 25 24 ddt 2H J 10 52 74 | 19 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(CO)C1=O
ir: 3 5 4 4 2 4 1 2 3 4 2 2 2 2 2 3 3 2 1 10 24 9 0 2 3 5 61 15 2 2 2 1 1 1 2 2 6 6 9 3 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 3 2 3 4 3 1 3 1 2 3 3 5 9 7 4 4 2 3 3 3 2 2 2 1 4 7 3 5 8 48 29 84 98 36 12 17 20 4 3 3 3 1 2 2 3 6 12 8 2 4 4 2 2 3 4 7 10 23 16 7 6 10 6 4 3 5 7 4 2 1 2 2 3 4 6 11 4 1 2 1 2 1 1 1 1 1 1 2 3 3 81 100 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 2 2 3 4 4 2 2 2 8 3 6 8 12 6 2 1 3 2 1 1 3 5 18 76 17 1 3 3 2 1 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 40 39 ddd 1H J 43 61 113 | 38 38 t 1H J 61 | 38 37 ddd 1H J 42 61 113 | 35 34 ddd 1H J 59 77 117 | 34 33 ddd 1H J 59 77 117 | 29 29 s 2H | 26 25 p 1H J 44 | 20 19 dddd 1H J 46 59 77 123 | 17 16 dddd 1H J 46 60 79 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1NC(=O)/C=C/c1cnn(CCOc2cc(F)cc(F)c2)c1
ir: 6 3 4 17 20 10 8 8 9 7 14 3 3 4 4 5 8 6 7 14 7 12 15 13 4 6 6 7 7 9 4 4 2 3 4 6 11 5 28 13 12 8 23 18 12 23 5 1 4 3 3 1 3 2 3 1 2 6 4 2 5 6 5 7 19 44 33 8 7 9 6 7 4 4 4 2 13 12 8 58 11 16 1 2 2 3 11 17 4 12 8 2 1 7 2 8 7 2 1 2 4 2 5 5 9 5 9 3 3 2 4 2 3 1 2 2 2 1 1 3 3 2 1 2 8 6 3 3 3 3 2 5 7 9 4 3 5 7 20 10 7 5 6 6 5 4 22 47 24 17 27 50 44 31 14 34 32 25 70 28 6 5 3 1 1 1 12 2 1 1 1 0 0 1 0 0 1 0 1 1 1 0 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 0 1 1 1 1 1 2 3 7 9 34 67 69 8 10 11 13 5 4 1 1 1 2 1 1 1 1 1 2 2 5 8 13 4 12 42 30 13 6 3 3 12 62 100 13 2 1 3 1 1 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 93 s 1H | 78 78 s 1H | 76 76 t 1H J 9 | 76 75 m 2H | 73 72 m 1H | 70 70 m 1H | 69 68 dd 1H J 14 81 | 68 67 d 1H J 161 | 67 66 tt 1H J 22 121 | 65 64 ddd 2H J 10 21 117 | 45 45 t 2H J 37 | 43 42 td 2H J 9 36 | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2nc(SC)nc(O)c2C#N)cc(Cl)c1Cl
ir: 4 4 3 4 8 11 11 7 11 5 3 4 4 3 4 7 10 8 5 5 8 4 4 4 5 6 5 5 7 7 21 4 4 3 3 5 10 8 3 3 3 3 6 6 27 48 6 4 3 3 3 3 3 3 3 5 3 2 4 4 4 5 3 3 3 3 4 3 5 7 10 6 26 23 7 7 5 3 6 4 3 3 5 3 3 3 3 5 5 3 4 3 3 13 5 3 3 3 3 3 2 3 3 4 2 3 4 3 6 5 5 7 2 3 4 3 3 5 9 3 2 3 4 4 2 3 4 3 2 3 4 2 2 6 4 2 2 3 4 1 0 67 1 4 4 3 20 7 35 16 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 5 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 3 3 3 3 2 3 3 3 3 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 5 7 3 7 14 5 3 4 4 3 1 4 6 5 90 100 2 3 4 3 2 3 3 2 2 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 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 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 3 3 2; 1HNMR: 81 81 s 1H | 75 75 d 1H J 22 | 72 72 d 1H J 22 | 39 39 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.
Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCCO
ir: 4 4 10 8 5 5 6 4 5 2 6 4 1 3 10 7 3 2 3 1 1 2 2 1 1 2 2 2 6 10 8 19 8 3 2 3 11 3 4 2 2 6 2 0 3 4 2 0 1 3 4 2 4 11 23 25 5 6 4 2 3 4 4 1 3 3 1 12 9 10 3 3 4 3 2 5 5 7 2 4 8 8 5 6 9 35 52 32 22 100 37 19 14 11 15 5 4 4 4 5 8 8 3 2 17 7 2 5 3 7 6 5 9 4 3 6 3 5 3 5 3 3 5 9 11 6 4 4 5 3 2 6 11 8 3 2 3 15 24 72 5 5 7 7 3 8 5 11 5 3 5 11 22 22 8 8 9 4 2 1 1 0 3 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 2 3 3 2 2 5 7 4 4 4 5 5 7 6 4 8 22 26 47 56 34 37 23 19 43 8 8 22 13 5 4 3 1 2 1 2 2 2 1 2 2 2 2 2 2 1 2 1 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 m 1H | 77 76 m 2H | 73 72 dd 1H J 20 81 | 69 68 m 1H | 41 40 s 3H | 36 36 q 2H J 58 | 34 33 t 1H J 56 | 31 30 t 2H J 78 | 23 22 s 3H | 20 19 tt 2H J 59 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Br)cccc1[C@@H](C)N
ir: 3 3 2 2 2 2 3 3 3 2 3 3 3 3 3 4 4 3 3 3 2 3 3 3 3 3 11 3 3 2 2 3 3 3 3 6 7 3 3 3 3 2 2 3 3 3 4 0 15 3 3 3 3 10 45 18 3 3 3 3 3 5 4 6 26 77 33 25 10 21 6 7 7 7 19 10 7 6 6 8 8 5 5 9 21 8 5 5 3 4 7 7 3 3 3 3 3 7 5 5 3 4 4 3 3 3 3 5 4 5 4 3 4 4 4 3 3 4 4 5 5 8 9 18 16 5 5 8 11 8 6 21 98 26 27 7 8 11 12 14 13 5 3 3 3 3 3 6 3 3 3 2 2 3 3 4 3 10 3 3 3 3 3 3 3 3 3 2 3 3 2 2 2 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 2 3 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 3 3 3 3 3 3 2 3 3 2 3 3 3 3 4 3 3 3 3 3 3 4 4 4 4 3 4 9 9 3 9 57 7 5 4 4 4 3 3 3 4 3 8 11 28 11 34 68 13 8 10 7 14 79 100 3 5 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 74 dd 1H J 13 79 | 72 72 m 1H | 72 71 t 1H J 80 | 41 40 dt 1H J 51 58 | 24 24 s 2H | 21 21 d 2H J 55 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCCCBr)C(=O)C(F)(F)F
ir: 2 1 2 7 6 2 2 1 1 0 0 1 1 1 1 1 1 1 3 6 3 1 0 1 1 0 0 1 1 1 2 14 6 2 7 11 21 38 5 5 5 1 4 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 5 1 2 2 2 4 9 3 2 3 1 1 2 1 1 1 8 5 1 1 2 2 0 1 0 1 0 1 3 3 20 8 4 3 4 6 7 10 26 4 18 38 26 3 5 3 2 3 5 5 1 3 4 2 1 2 1 2 1 4 3 4 6 3 7 7 8 4 2 3 1 2 3 4 1 4 1 1 1 2 3 1 0 1 2 1 2 6 8 100 15 4 2 2 1 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 0 0 0 0 0 0 0 0 0 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 0 1 0 1 0 1 1 1 0 0 1 1 1 3 1 5 4 3 4 3 3 2 2 3 1 3 11 13 4 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 39 38 hept 1H J 65 | 35 35 t 2H J 46 | 34 34 t 2H J 54 | 19 19 m 2H | 17 17 m 2H | 12 12 d 5H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccccc1
ir: 16 24 30 5 6 2 0 2 3 3 6 5 3 5 21 17 9 2 1 2 4 4 3 4 8 6 2 6 7 11 17 25 9 3 4 3 2 0 3 8 7 84 7 2 2 4 5 2 2 2 2 1 1 1 1 2 5 6 9 12 6 3 4 4 3 2 8 9 28 9 4 5 7 8 5 6 3 4 6 4 5 8 6 17 12 8 8 10 11 7 9 8 15 20 10 5 7 14 10 9 5 4 3 13 15 26 12 10 2 8 6 7 7 9 8 2 5 8 8 5 13 6 2 3 1 5 5 6 27 40 15 7 1 4 5 20 11 3 2 3 3 1 15 100 52 6 3 4 1 1 1 2 9 2 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 3 2 1 2 2 3 7 3 2 2 2 2 4 15 38 26 17 19 48 11 2 4 2 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 73 72 m 5H | 38 37 m 1H | 37 37 s 2H | 36 35 ddt 1H J 18 35 54 | 31 30 ddd 1H J 33 51 120 | 29 28 dddd 1H J 18 33 51 119 | 22 21 dddd 1H J 34 49 67 119 | 20 17 m 3H | 14 14 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CCc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
ir: 8 5 6 7 15 9 24 5 14 13 6 5 7 5 16 8 81 63 50 15 9 4 5 5 3 5 10 14 23 5 7 4 4 9 13 4 30 6 5 2 5 8 5 5 3 7 6 6 31 4 12 3 4 7 7 11 12 5 4 3 3 1 2 1 2 15 32 6 39 22 10 27 16 10 16 8 3 3 1 1 2 2 2 4 51 50 6 35 3 16 51 100 65 44 10 11 4 6 21 12 4 6 9 16 3 8 3 3 7 4 5 2 23 5 2 4 4 5 3 6 8 9 7 6 16 21 27 10 6 6 5 3 7 8 8 18 12 4 2 2 1 0 0 1 1 1 1 4 14 4 2 1 3 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 4 5 3 4 3 2 1 3 3 10 24 21 42 85 36 14 6 2 3 1 2 1 2 1 1 1 1 1 1 0 1 2 2 32 4 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 82 81 m 2H | 81 80 m 2H | 76 75 dq 2H J 14 72 | 74 73 dt 2H J 9 70 | 72 72 d 1H J 44 | 68 68 d 1H J 46 | 36 35 t 2H J 99 | 30 29 tt 2H J 10 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC(=O)O)Cc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1
ir: 4 4 2 2 3 2 2 9 5 8 3 7 5 27 4 8 5 3 6 10 2 41 31 30 20 6 4 3 2 7 7 4 4 3 3 3 5 1 2 16 49 35 15 12 9 6 8 3 3 3 5 1 12 31 55 31 24 58 12 7 3 0 3 3 3 3 18 4 11 3 7 5 1 11 5 4 2 6 16 24 8 2 4 4 3 6 23 17 32 15 5 3 3 4 8 9 5 3 3 4 2 6 14 3 2 2 2 1 1 1 3 5 14 10 3 3 3 3 12 7 5 8 6 5 12 6 7 7 9 4 4 2 3 4 2 2 1 2 2 2 2 10 60 38 36 29 16 12 19 12 12 7 9 7 2 1 2 2 1 1 1 1 1 0 2 1 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 1 3 3 3 3 6 6 18 100 85 36 8 8 6 3 2 2 2 18 4 4 2 2 1 2 2 1 1 3 4 2 4 10 37 40 12 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 s 1H | 79 79 m 2H | 78 77 t 1H J 49 | 77 76 m 2H | 75 75 d 4H J 9 | 72 71 dt 2H J 9 84 | 71 70 dt 2H J 8 83 | 37 37 t 2H J 9 | 35 34 m 4H | 29 29 tt 2H J 9 53 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NS(C)(=O)=O
ir: 5 4 1 2 15 49 8 2 0 2 2 1 1 3 3 4 4 2 3 6 13 23 24 15 3 2 5 4 2 4 5 2 3 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 8 2 2 1 1 2 2 1 2 6 5 3 2 2 2 2 15 2 1 1 3 23 4 1 2 3 3 3 3 2 2 2 2 2 1 1 2 3 5 33 2 1 2 2 1 1 2 2 2 2 2 2 2 3 7 11 13 4 2 2 2 2 1 1 2 2 1 4 5 4 2 2 3 8 5 19 4 2 3 1 1 2 4 7 11 12 6 51 31 12 5 4 3 3 2 2 1 2 2 1 24 7 0 3 2 0 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 4 1 1 2 2 1 1 2 2 2 2 3 5 33 9 7 5 3 4 4 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 5 100 6 1 9 7 10 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; 1HNMR: 50 50 s 1H | 43 42 q 2H J 63 | 32 31 s 3H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C(=O)OCC)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC(=O)OCc1ccccc1
ir: 31 15 11 12 12 6 7 4 4 6 4 21 18 11 1 2 3 3 2 3 4 1 2 9 11 9 4 2 10 0 8 11 7 3 13 32 11 19 85 54 30 11 2 4 6 11 14 5 7 2 3 7 5 3 4 8 8 6 3 4 2 6 2 3 3 3 5 4 6 5 10 4 11 2 11 8 12 12 12 5 3 4 1 3 2 3 3 6 12 13 3 7 9 3 4 13 18 10 8 3 3 2 2 3 3 4 15 22 39 25 10 20 14 13 14 9 12 9 11 7 3 5 6 17 14 5 4 7 7 8 13 5 4 7 7 11 10 2 2 3 3 4 2 23 13 1 57 31 1 15 13 11 82 87 7 4 2 3 2 0 2 3 1 0 1 2 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 0 1 1 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 1 1 3 2 3 2 7 21 29 5 2 15 10 29 28 16 15 6 15 11 4 2 2 2 4 1 1 1 2 1 1 1 1 1 1 4 6 20 100 60 6 6 2 1 0 2 3 1 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 5H | 67 67 d 1H J 68 | 60 60 dd 1H J 20 29 | 59 59 dd 1H J 19 28 | 51 51 d 2H J 7 | 51 50 dq 1H J 57 79 | 44 43 m 1H | 42 41 q 2H J 71 | 33 33 tq 1H J 15 79 | 14 13 dd 3H J 15 57 | 12 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=C(c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)CCC1
ir: 2 3 2 2 1 3 4 4 2 5 2 4 3 2 3 1 2 1 2 5 5 9 7 6 16 3 5 3 4 4 19 16 7 5 4 4 5 3 12 49 81 47 9 5 4 7 1 1 2 1 1 1 1 2 7 2 2 2 3 2 2 6 10 4 16 10 18 38 22 28 10 4 2 2 1 3 12 2 7 3 1 2 1 1 1 0 2 3 10 11 5 6 2 3 5 3 4 4 6 6 5 3 2 2 3 3 1 2 5 2 3 4 2 10 1 3 5 5 9 5 7 5 3 10 4 10 4 2 5 8 4 9 26 18 9 46 6 2 2 2 3 7 20 40 33 12 29 9 1 1 1 6 11 6 2 2 1 1 1 2 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 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 0 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 2 3 2 2 2 0 1 6 3 18 15 29 26 100 78 23 9 5 2 0 3 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 m 4H | 74 73 dd 5H J 62 76 | 73 73 m 3H | 61 61 tp 1H J 9 38 | 53 53 t 2H J 10 | 52 51 d 2H J 11 | 29 28 m 2H | 28 27 dtd 1H J 39 59 121 | 23 23 dtd 1H J 39 60 120 | 19 18 ttd 2H J 9 60 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C=O)ccn1S(=O)(=O)c1ccccc1
ir: 4 17 7 4 6 3 3 18 14 15 2 7 11 25 18 18 13 5 2 4 5 3 4 17 15 6 6 3 7 15 32 33 16 6 4 4 6 22 23 13 33 26 4 5 4 0 2 4 3 1 8 16 22 8 4 7 6 6 3 5 4 14 14 31 20 12 11 7 5 3 5 6 9 13 10 11 6 15 14 7 2 1 4 4 16 48 51 7 2 2 4 4 3 3 5 3 7 17 100 60 4 4 6 4 2 9 10 15 11 14 11 4 0 3 6 2 1 6 5 4 5 7 8 6 3 5 5 2 2 4 4 3 4 8 21 21 5 5 5 20 25 18 10 5 11 23 12 7 4 6 5 2 3 6 6 1 2 5 3 15 13 12 4 1 2 4 3 1 2 4 2 1 2 4 2 0 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 3 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 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 4 3 3 8 8 2 1 2 4 3 1 3 6 4 3 5 12 9 13 43 41 26 34 22 14 16 4 5 6 9 3 4 4 2 1 3 3 2 1 3 3 2 1 3 3 2 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 99 99 s 1H | 78 78 m 2H | 77 76 ddt 1H J 15 71 88 | 75 74 m 2H | 71 71 d 1H J 58 | 66 66 d 1H J 59 | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(Br)ccc2c1Br
ir: 8 5 0 4 8 4 1 4 7 3 1 7 8 6 12 14 12 13 2 8 9 4 4 10 9 4 2 8 8 3 4 7 6 2 2 8 6 2 3 7 5 1 3 6 5 1 4 7 5 2 7 7 57 18 100 40 87 9 7 11 4 1 6 10 4 4 25 27 16 9 6 8 4 1 5 7 4 2 6 6 2 1 6 6 2 5 13 9 3 3 7 7 4 19 9 6 1 3 7 5 2 4 8 6 2 7 17 18 4 4 7 4 0 4 9 4 1 8 17 14 13 6 8 4 3 18 9 4 1 5 6 3 1 5 6 2 2 5 6 3 2 6 6 4 34 8 8 5 3 7 22 65 15 6 6 7 79 14 21 2 4 7 5 0 4 7 4 1 4 7 4 0 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 5 2 2 5 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 7 5 2 4 7 5 2 15 12 18 23 17 58 37 63 18 15 9 3 6 8 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 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 6 4 1 3 6 4 1; 1HNMR: 81 80 d 1H J 85 | 80 80 t 1H J 22 | 79 78 dd 1H J 22 90 | 77 76 dd 1H J 22 84 | 73 73 d 1H J 90 | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c1c1c(n2CC(=O)N2CCCCC2)CN(C)CC1
ir: 4 2 8 19 3 7 2 2 5 5 12 5 3 4 6 6 22 36 28 13 2 2 3 7 5 2 1 2 3 1 5 17 13 4 6 22 3 3 5 13 7 1 5 5 9 0 100 8 16 14 14 9 6 3 16 7 4 3 2 10 3 6 5 17 6 10 13 21 8 7 3 2 5 8 12 8 9 2 7 6 41 38 16 4 3 6 14 7 7 35 13 9 5 7 3 3 8 30 8 9 8 7 6 6 5 3 1 5 24 32 28 17 25 18 14 7 9 28 9 14 30 17 17 5 2 7 13 9 11 10 8 4 3 3 9 14 35 15 28 3 8 11 7 5 4 12 7 48 50 16 2 5 1 0 0 1 0 6 4 11 5 1 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 2 1 2 3 2 5 4 9 9 15 6 4 5 3 7 8 40 56 20 19 99 38 7 5 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H | 71 70 m 1H | 46 46 s 2H | 38 37 s 2H | 34 34 dd 4H J 41 53 | 29 29 t 2H J 44 | 29 28 m 2H | 25 25 m 6H | 16 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(O)(c1ccccc1)c1cccc(OCc2ccccc2)c1
ir: 3 3 2 1 1 1 1 2 1 3 1 2 5 4 6 10 9 12 7 8 16 37 62 6 3 5 3 3 5 3 5 13 7 6 2 1 2 2 3 19 9 9 4 3 2 1 25 33 6 6 1 0 1 1 1 0 2 2 4 3 4 3 3 4 3 11 3 10 4 7 12 1 3 2 3 2 11 24 19 62 9 7 4 5 1 1 2 1 5 5 23 100 22 3 10 5 4 3 2 2 1 1 0 1 1 2 1 1 2 5 1 1 1 3 10 5 1 2 3 2 2 1 1 1 2 4 1 2 3 5 1 1 2 3 9 36 7 3 5 3 6 10 6 20 47 21 2 3 2 1 1 3 3 2 1 3 4 1 1 1 1 1 2 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 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 5 5 13 38 51 11 4 2 2 14 63 52 11 3 1 0 2 2 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 ddt 2H J 9 16 73 | 74 73 m 2H | 74 73 m 8H | 72 72 ddd 1H J 12 21 79 | 69 69 ddd 1H J 13 22 75 | 69 69 t 1H J 21 | 51 50 t 2H J 9 | 47 46 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CCSCC1
ir: 0 7 5 2 6 6 9 9 6 9 21 50 12 7 5 8 5 7 3 8 2 1 2 2 3 3 7 5 7 9 22 7 7 8 11 6 3 13 2 7 9 7 5 1 2 2 3 3 2 1 6 5 10 25 6 5 12 29 7 6 4 6 4 15 27 25 17 20 26 7 4 2 2 4 3 4 5 15 6 0 16 8 0 2 100 27 43 9 2 2 5 3 0 5 15 6 5 14 11 12 8 14 8 10 52 8 13 18 25 6 12 10 27 16 7 9 8 8 10 20 15 6 7 9 16 12 3 5 5 8 4 12 5 2 21 32 15 2 5 3 3 9 11 3 3 5 2 1 3 3 3 1 2 2 1 1 1 3 2 2 3 5 2 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 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 2 1 1 1 1 3 6 3 1 3 2 3 2 4 9 19 9 9 29 29 15 4 2 2 1 1 1 2 1 1 2 1 1 1 2 2 4 7 6 37 63 43 11 3 2 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 83 83 d 1H J 22 | 80 80 dd 1H J 22 93 | 79 78 dt 2H J 12 80 | 76 75 m 4H | 57 56 d 1H J 95 | 34 33 dt 1H J 49 94 | 28 27 ddd 2H J 30 57 141 | 26 26 d 3H J 11 | 26 25 ddd 2H J 30 57 141 | 21 20 dddd 2H J 29 49 57 119 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ICCCCCCCCCCCCI
ir: 3 2 2 2 3 2 2 3 3 2 1 5 3 2 1 2 3 3 1 5 5 5 1 2 2 3 2 4 5 4 4 7 5 2 7 7 11 9 19 21 26 21 9 10 12 3 9 27 8 4 4 4 4 3 3 3 1 5 3 3 5 4 12 5 3 1 2 3 2 2 1 2 2 2 1 2 1 1 2 3 1 1 1 2 2 1 3 2 1 2 4 7 4 7 12 10 14 8 11 14 27 18 13 12 14 17 82 90 100 19 25 16 29 17 16 14 31 33 57 46 39 26 15 10 1 6 7 4 3 5 4 2 1 3 4 2 2 2 3 2 1 2 3 2 1 2 2 2 1 3 3 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 2 1 1 3 1 0 1 2 1 1 2 2 1 0 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 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 0 1 3 1 0 1 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 4 2 3 2 2 2 2 1 3 2 2 2 5 6 5 5 6 11 12 32 37 32 27 21 9 9 9 15 18 10 79 42 35 14 5 1 4 5 1 1 3 4 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 32 32 t 4H J 55 | 19 18 tt 4H J 55 72 | 14 13 m 4H | 13 12 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nn1cccc1C(=O)c1ccccc1
ir: 10 5 2 2 3 2 2 2 4 3 1 3 1 2 2 1 2 3 5 4 4 6 5 6 6 3 5 5 5 8 5 6 6 16 13 15 24 100 33 8 6 13 15 8 5 3 4 2 1 1 1 1 1 1 1 1 1 3 2 1 1 0 1 1 4 1 1 1 7 2 2 1 3 2 6 2 1 3 3 4 7 2 2 1 0 1 0 0 0 0 1 1 1 5 5 2 1 2 2 8 8 5 2 2 2 4 8 3 2 4 4 2 1 3 3 1 3 8 23 1 2 4 2 1 1 1 1 1 1 1 2 1 4 9 20 15 3 3 2 12 8 7 14 15 10 5 25 39 22 36 6 19 18 16 2 1 1 1 2 1 5 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 2 3 3 5 9 10 21 22 12 10 7 4 8 3 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 6 9 29 13 2 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 78 78 dq 2H J 17 79 | 76 76 m 1H | 75 75 m 3H | 75 74 dd 1H J 16 66 | 69 68 dd 1H J 53 66 | 43 42 q 2H J 63 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCCN1C(=O)C2CC3CCOC32c2cc(Cl)ccc21
ir: 5 9 5 5 2 5 3 1 2 10 8 4 4 3 2 2 2 5 3 3 3 2 3 4 11 11 16 10 15 19 5 21 13 4 10 7 12 23 13 3 4 4 5 2 2 4 4 4 3 2 5 2 12 34 68 22 4 3 6 4 2 4 11 7 3 7 13 10 3 2 1 1 3 4 1 3 1 1 1 0 1 2 1 1 1 1 4 7 5 2 1 1 4 13 9 3 2 4 10 6 2 1 2 2 7 2 3 4 6 14 12 10 12 15 7 8 8 5 5 6 9 4 11 24 5 11 20 11 4 8 12 6 8 4 2 2 3 4 3 2 3 3 8 14 32 37 45 31 100 49 15 11 5 2 5 6 3 1 1 1 1 0 1 7 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 1 1 2 2 3 2 3 7 3 3 2 2 2 4 9 11 26 27 16 21 27 15 14 3 3 2 1 1 1 2 2 1 2 1 2 2 1 1 1 1 1 3 9 30 32 26 23 7 6 3 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 dq 2H J 22 42 | 71 71 d 1H J 86 | 48 48 t 1H J 49 | 39 38 m 3H | 38 37 ddd 1H J 31 50 110 | 36 36 t 1H J 68 | 31 30 m 2H | 29 28 tt 1H J 48 60 | 24 23 ddd 1H J 60 68 127 | 22 21 dtd 1H J 32 49 132 | 20 19 m 1H | 19 18 ddd 1H J 60 68 126 | 17 16 m 4H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCOc1cc2ccccc2c2ccccc12
ir: 23 8 3 9 27 12 14 11 17 2 3 2 2 2 5 2 2 3 2 1 1 1 2 2 2 3 2 2 1 2 1 6 2 1 10 11 2 2 4 23 24 27 24 18 23 6 9 7 30 5 4 2 3 2 3 4 3 6 7 5 4 2 2 8 3 6 10 9 12 9 12 20 67 100 28 8 5 3 3 3 3 2 4 8 2 5 8 45 22 29 0 3 4 4 1 2 4 5 4 8 8 29 11 14 11 3 3 12 10 5 2 2 4 3 1 2 3 2 3 8 17 8 7 10 6 3 1 3 4 7 6 3 3 4 5 6 14 32 23 13 4 2 1 5 11 9 4 7 3 2 4 2 3 5 16 5 2 1 1 2 3 3 2 3 5 3 2 2 2 1 2 3 3 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 8 25 3 2 3 3 2 2 3 2 2 2 3 9 29 36 26 42 76 59 19 9 13 4 4 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 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; 1HNMR: 86 86 dd 1H J 11 75 | 85 85 ddd 1H J 6 14 84 | 81 81 m 1H | 80 79 m 1H | 77 75 m 3H | 75 75 td 1H J 12 77 | 74 73 d 1H J 27 | 44 43 m 2H | 43 42 m 2H | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(CCCc2ccccc2)c(O)c(C(C)(C)C)c1
ir: 8 5 2 5 4 3 4 5 3 7 20 4 2 3 5 4 3 3 7 5 6 3 4 7 5 25 9 13 10 8 65 0 4 5 5 0 2 12 6 59 100 6 14 6 5 3 9 4 3 6 3 3 3 2 4 3 3 6 3 3 3 5 5 11 21 9 15 15 17 23 8 7 7 3 5 9 7 5 12 18 83 19 12 31 15 7 4 6 10 49 11 22 4 7 16 10 15 7 9 4 3 16 26 7 3 5 6 11 6 4 13 10 4 3 3 5 7 10 10 9 8 6 6 7 3 4 4 3 8 6 11 7 6 6 11 32 13 4 4 4 6 16 44 31 8 7 5 5 6 27 4 5 4 3 2 2 2 2 2 3 4 3 2 3 2 3 9 5 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 5 3 3 2 3 3 3 4 3 5 5 5 3 9 5 4 4 4 4 4 5 4 30 56 21 49 89 42 45 11 6 5 6 10 74 76 6 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 5H | 72 71 m 2H | 69 69 dt 1H J 9 20 | 44 44 s 1H | 28 27 td 2H J 8 85 | 27 26 tt 2H J 10 81 | 20 19 p 2H J 82 | 14 14 s 8H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(F)(C(F)(F)F)C(F)(F)Cl)ccc1N
ir: 22 13 34 16 4 9 7 6 8 11 4 3 3 4 3 1 1 2 1 2 1 2 2 2 2 2 2 1 2 1 1 1 1 2 2 3 2 5 3 1 2 2 2 1 2 2 2 4 5 9 14 13 3 2 2 2 2 1 2 2 1 2 1 3 1 1 1 2 1 2 2 2 1 1 2 2 5 20 5 0 2 2 1 1 1 1 2 9 5 3 5 2 8 4 2 5 8 9 5 7 4 3 6 14 3 2 2 1 1 6 13 1 6 5 3 2 2 2 3 3 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 6 6 25 45 7 3 2 2 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 2 1 2 3 3 2 6 12 8 4 2 1 2 2 1 1 1 1 1 1 1 1 1 1 3 4 28 2 1 1 1 1 1 1 3 5 6 100 81 12 8 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 tt 1H J 9 19 | 72 72 dt 1H J 22 70 | 68 68 d 1H J 69 | 32 31 s 2H | 27 26 qd 2H J 8 76 | 13 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(CN)SC)cc1OC
ir: 2 2 1 2 5 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 1 1 1 1 2 4 2 3 4 1 2 3 5 4 2 1 2 1 2 2 1 1 2 3 4 25 13 4 2 2 3 3 5 7 10 61 35 8 6 4 3 4 3 3 3 8 78 13 5 5 2 2 23 3 2 1 2 3 8 6 3 2 5 6 7 2 2 1 2 2 2 2 2 2 3 4 2 2 2 2 3 4 2 2 2 3 3 7 8 7 13 4 7 5 7 18 4 4 11 4 6 2 0 4 40 100 54 4 4 5 3 1 1 3 3 6 3 2 2 1 2 20 5 2 3 3 10 2 2 2 2 1 2 3 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 2 1 1 2 2 2 2 3 2 2 2 3 2 3 3 3 4 11 6 12 35 7 5 3 2 2 2 2 2 2 3 4 8 12 7 7 43 23 3 2 2 3 12 10 11 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 69 m 1H | 69 68 m 2H | 40 40 tdq 1H J 8 17 32 | 39 38 d 6H J 24 | 34 33 dtd 1H J 38 59 116 | 32 31 dtd 1H J 37 59 114 | 20 20 d 3H J 14 | 11 11 t 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1(CN2C(=O)c3ccccc3C2=O)CC1
ir: 14 9 7 5 8 4 4 6 8 6 2 6 6 3 2 6 10 7 15 19 10 4 2 5 5 3 5 8 7 18 23 15 15 5 16 8 33 38 29 66 37 22 17 10 7 8 9 13 17 3 21 16 8 3 5 8 6 2 4 10 7 3 7 9 4 2 4 5 3 8 6 4 3 1 5 5 2 2 5 11 6 6 9 8 3 3 7 8 13 4 5 4 2 3 4 5 3 3 6 6 5 3 5 4 2 3 5 4 2 5 9 7 4 4 7 5 5 9 27 39 22 22 17 11 18 20 15 6 3 11 14 13 22 10 18 22 24 13 15 6 3 6 6 8 47 100 15 5 5 33 32 0 8 40 45 21 6 7 7 14 12 6 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 3 5 6 5 3 4 5 4 2 3 6 6 4 6 8 27 5 16 66 16 9 6 8 12 3 5 5 3 3 5 6 4 2 4 5 4 3 6 10 8 11 9 19 34 9 6 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 59 58 s 1H | 41 40 s 2H | 17 16 m 2H | 14 14 s 8H | 14 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccoc1C(NCCNC(=O)OC(C)(C)C)=C(C#N)C#N
ir: 6 6 5 5 3 3 3 5 1 3 3 2 3 3 3 3 3 3 5 3 6 5 10 9 12 33 18 7 14 10 29 16 14 30 18 12 9 12 6 5 2 3 10 2 8 13 6 5 2 4 8 4 2 2 2 1 2 4 2 2 2 3 3 1 2 3 2 0 2 2 3 4 4 3 2 1 1 3 7 3 7 6 5 7 5 2 1 1 2 3 1 1 8 5 2 2 2 4 3 7 3 2 1 1 2 2 1 1 2 2 3 4 11 6 2 10 4 4 3 5 6 8 5 11 11 26 10 6 13 11 6 4 3 2 2 3 3 22 17 11 4 3 9 28 70 10 5 3 5 37 16 6 8 1 3 17 24 2 2 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 12 22 1 4 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 4 3 2 2 4 3 2 2 3 2 2 2 4 5 7 12 9 5 4 8 2 13 3 4 4 2 2 2 2 2 1 2 2 2 3 2 5 6 4 7 20 53 100 48 30 11 6 4 3 1 1 4 2 1 1 3 3 1 2 2 2 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 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 0 1 2; 1HNMR: 79 79 t 1H J 30 | 73 72 d 1H J 22 | 64 64 dq 1H J 8 24 | 58 58 t 1H J 51 | 35 35 td 2H J 30 45 | 34 33 q 2H J 47 | 22 22 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/N=c1\sccn1-c1ccc(Br)s1)N1CCCC1
ir: 1 1 1 0 1 1 3 1 1 1 3 2 3 2 18 87 17 6 2 3 2 1 2 1 1 1 4 10 25 33 30 18 13 9 2 1 4 10 9 13 5 2 3 5 4 2 2 0 0 1 0 2 1 0 10 3 4 21 100 7 4 5 2 1 1 1 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 1 1 6 13 4 4 2 1 1 0 1 2 8 11 2 1 0 0 0 1 0 0 1 1 2 3 15 17 46 22 7 8 6 5 1 2 1 1 3 31 5 2 2 3 2 7 20 5 2 1 15 16 3 10 9 2 1 1 1 2 2 8 28 75 4 4 8 39 9 17 63 3 3 1 2 2 3 5 3 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 2 1 1 2 4 15 4 10 6 10 17 13 15 16 3 2 2 2 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 d 1H J 55 | 70 70 d 1H J 68 | 67 67 d 1H J 68 | 65 65 d 1H J 55 | 37 36 m 4H | 20 19 h 4H J 23
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(Cl)ccnc1N1CCc2c(cc3n2CCCC3)C1=O
ir: 3 4 6 3 2 3 7 3 3 3 4 7 10 6 3 8 16 5 6 6 2 3 3 3 3 4 6 4 3 4 15 4 3 3 3 2 4 9 14 9 12 3 4 5 12 58 29 29 25 9 8 5 11 2 13 3 21 6 17 10 7 4 4 7 8 4 3 3 4 3 4 4 7 44 13 25 18 2 3 3 4 9 3 3 3 3 2 2 2 3 3 5 7 4 3 20 5 3 3 3 22 5 4 4 4 14 10 17 24 8 7 11 25 8 7 10 3 5 11 5 6 5 15 7 16 20 16 8 9 6 23 5 3 3 2 5 26 12 11 13 5 4 3 2 5 14 18 72 31 3 4 5 5 0 8 100 68 73 16 13 5 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 2 2 2 3 2 3 4 3 3 6 5 6 5 4 4 3 3 3 3 8 39 10 7 22 53 15 13 7 3 2 4 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 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 d 1H J 37 | 74 73 d 1H J 35 | 56 55 d 1H J 8 | 42 42 m 2H | 39 39 m 2H | 30 29 m 2H | 27 26 t 2H J 51 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.