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Cn1c(=O)n(CCCO)c(=O)c2c1cc(-c1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1
ir: 4 4 5 4 4 4 4 4 5 8 5 5 5 6 4 4 6 6 6 4 6 8 9 8 5 5 4 5 5 5 4 6 4 5 6 4 4 4 5 4 4 4 4 5 6 3 6 8 10 5 5 4 6 12 50 15 8 6 5 4 4 3 4 5 4 3 4 5 7 6 4 4 5 7 11 4 4 4 3 4 4 3 4 4 4 4 5 4 5 6 4 8 5 7 7 6 8 36 29 10 7 6 5 4 3 3 4 4 4 6 4 4 3 5 5 4 6 5 4 4 4 6 9 8 7 5 6 5 5 4 5 4 3 4 4 3 3 5 5 4 4 6 4 7 4 4 5 8 3 4 4 3 8 6 4 4 18 5 18 0 4 100 2 9 4 1 3 5 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 3 4 4 4 4 4 4 4 4 4 5 10 9 32 12 18 9 17 6 13 6 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 74 73 m 3H | 73 72 dt 2H J 9 75 | 72 72 dt 1H J 21 60 | 71 71 m 2H | 62 62 s 1H | 58 57 t 2H J 9 | 39 38 m 3H | 37 36 q 2H J 62 | 36 36 s 2H | 19 18 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@@H]1NC[C@H](C(C)(C)C)NC1=O
ir: 4 3 3 4 5 3 1 4 6 13 13 6 12 4 4 6 13 12 5 3 6 67 9 10 7 9 3 5 5 2 3 12 9 100 89 11 32 62 22 30 12 23 9 8 5 2 19 6 9 7 12 6 8 12 17 17 9 0 5 15 8 13 12 12 11 16 6 7 7 2 4 4 7 3 3 4 5 4 3 5 5 5 4 4 2 1 4 4 1 2 4 3 2 2 4 3 2 2 4 5 3 3 6 5 4 6 6 5 14 21 27 8 4 5 10 7 4 29 39 71 22 21 11 9 9 18 11 22 25 40 18 9 3 5 7 9 29 12 9 4 2 4 4 2 2 4 4 3 2 4 6 18 100 54 46 14 11 7 4 1 2 4 2 1 2 4 3 0 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 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 5 5 4 2 5 6 4 2 5 4 11 11 7 12 20 9 4 5 3 3 4 4 3 2 3 6 4 1 4 5 4 2 4 5 4 6 53 54 35 21 27 39 14 43 31 11 7 6 4 4 2 2 3 3 2 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 49 48 d 1H J 86 | 34 33 m 2H | 29 29 ddd 1H J 27 48 130 | 27 27 dt 1H J 51 130 | 17 16 m 2H | 15 14 m 1H | 11 11 q 1H J 49 | 9 9 m 12H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(CCC(N)C(=O)O)Oc1ccc(C)cc1
ir: 0 1 4 6 3 1 1 2 2 2 3 2 2 2 4 5 4 2 6 5 7 14 38 29 13 5 4 0 1 2 1 1 1 1 1 1 1 2 2 2 5 2 2 4 2 5 1 1 1 3 8 5 10 14 6 4 4 3 13 7 4 3 5 1 2 2 6 13 62 70 35 7 2 4 5 29 27 15 30 12 45 100 12 11 4 0 3 4 2 3 3 1 1 1 1 2 5 3 2 1 1 1 0 1 1 2 1 5 8 3 3 2 3 5 5 3 2 3 5 12 3 6 3 7 7 5 2 2 3 3 2 4 17 22 17 11 4 3 1 3 3 1 4 7 5 3 3 7 19 2 4 1 1 2 1 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 2 1 2 1 1 1 2 2 4 9 12 9 9 25 5 4 1 2 1 1 6 6 45 89 16 6 7 5 18 13 7 4 2 2 3 27 16 3 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 72 72 m 2H | 71 71 m 2H | 62 61 d 2H J 59 | 38 38 m 1H | 38 37 d 3H J 110 | 25 24 tt 1H J 96 118 | 24 22 m 1H | 23 23 s 3H | 22 21 m 1H | 20 18 dtd 1H J 51 96 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCC(C)(C)CC2)cn1
ir: 5 2 4 20 6 3 0 2 4 2 4 3 2 2 3 2 1 5 2 2 1 1 1 7 2 2 2 1 2 13 1 1 2 7 13 40 31 8 4 0 1 2 1 0 6 2 1 0 1 1 1 1 3 16 34 5 4 4 2 0 2 6 5 10 11 5 2 0 8 6 28 10 1 2 2 1 1 3 1 1 2 2 2 3 12 6 1 2 3 9 1 1 2 3 6 3 5 13 2 10 4 4 3 2 2 2 1 1 3 2 10 9 1 2 1 2 3 2 2 5 4 3 3 4 3 4 1 4 3 2 5 5 5 6 4 5 5 60 29 5 2 2 1 1 1 2 2 2 2 11 100 6 5 10 3 4 2 1 1 1 1 5 23 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 2 1 1 2 3 3 2 2 1 1 4 7 14 19 5 30 19 21 12 4 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 19 | 72 71 dd 1H J 19 85 | 67 67 d 1H J 85 | 40 39 s 3H | 34 34 m 4H | 17 17 m 5H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(N)c(-c2ccc(C(=O)O)c(F)c2)n1
ir: 5 3 6 8 7 5 4 4 8 8 4 11 10 8 8 8 6 11 9 19 28 18 77 22 11 11 6 8 7 6 5 4 4 4 4 3 5 4 4 2 1 2 5 6 4 4 1 1 4 3 2 4 2 5 3 13 7 0 7 3 1 2 1 1 2 2 1 2 3 5 2 2 3 3 3 3 3 45 5 5 6 2 2 6 5 4 1 4 5 5 3 2 1 1 5 7 2 3 4 12 2 3 1 2 7 2 2 1 2 1 1 6 2 4 2 3 1 4 7 29 30 7 3 2 4 1 1 2 2 3 1 1 4 15 1 1 3 1 1 3 3 7 4 18 46 72 10 14 5 4 19 11 10 15 21 2 2 2 2 10 3 2 3 2 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 1 1 2 1 0 1 1 1 1 1 1 1 1 2 1 3 3 5 17 18 5 2 2 1 0 1 2 27 100 24 5 1 1 2 2 2 8 65 9 3 3 2 1 1 1 1 3 4 8 90 13 2 1 0 0 1 0 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 81 80 dd 1H J 51 99 | 78 78 dd 1H J 22 99 | 77 77 dd 1H J 21 121 | 67 66 s 2H | 43 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.
Cc1ccc2nc(-c3ccccc3)cc(N3CCC(C(N)=O)CC3)c2c1
ir: 2 1 0 1 1 1 0 1 1 1 1 2 2 3 5 6 11 11 7 2 3 3 2 3 1 2 2 3 4 10 20 11 23 13 5 2 3 4 2 2 2 13 11 2 2 0 1 1 1 0 1 1 2 3 5 15 3 0 1 2 1 0 4 2 5 11 11 2 4 3 2 2 3 3 2 3 5 1 4 2 1 0 2 2 13 9 3 8 2 2 1 1 1 2 4 4 4 6 3 2 1 1 1 2 1 5 4 2 0 1 1 2 1 6 6 2 3 3 3 2 1 2 1 2 2 2 2 2 1 1 1 2 2 1 1 1 2 5 2 1 22 13 3 4 21 11 4 3 2 3 4 6 4 2 2 6 6 10 45 6 7 4 3 7 6 3 11 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 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 2 3 1 1 2 4 6 3 13 21 24 18 5 4 2 1 1 2 1 2 2 1 1 0 2 2 7 7 1 2 0 0 1 1 0 0 4 10 4 100 48 6 9 2 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 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 m 3H | 79 78 d 1H J 81 | 77 77 ddd 1H J 8 22 82 | 76 75 s 1H | 75 74 m 2H | 74 73 m 1H | 64 63 s 2H | 36 35 ddd 2H J 55 82 123 | 34 33 ddd 2H J 57 84 124 | 24 24 m 4H | 23 22 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CNC(=O)c1cccnc1
ir: 1 1 4 2 5 7 7 7 11 11 6 9 3 4 3 3 6 12 4 2 2 1 1 4 9 40 23 10 5 1 2 4 8 1 6 25 99 53 7 7 3 5 18 23 4 4 2 2 2 8 6 2 4 13 52 100 69 9 2 2 2 3 7 14 9 4 2 5 9 8 8 18 15 3 2 2 4 2 5 5 8 9 2 2 1 1 1 2 2 2 2 1 1 1 3 4 5 3 2 1 1 1 2 1 1 1 3 2 0 3 21 30 6 5 16 9 4 6 4 4 6 8 5 13 20 29 63 33 19 5 2 3 2 2 1 3 4 2 2 28 41 41 10 24 9 32 60 89 91 8 4 3 4 12 66 42 2 3 2 5 50 32 10 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 4 4 5 4 2 4 6 5 2 6 19 7 6 11 37 39 14 4 2 4 2 2 1 1 1 1 1 4 4 5 3 3 4 8 3 4 12 78 53 18 37 21 11 3 3 3 3 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 91 t 1H J 18 | 87 87 ddd 1H J 16 26 45 | 82 81 ddd 1H J 18 26 79 | 80 80 t 1H J 60 | 75 74 dd 1H J 49 79 | 42 41 d 2H J 59 | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCC(=O)NCCC#N
ir: 3 3 2 3 2 1 2 2 3 3 3 2 1 0 1 1 1 3 3 2 1 1 2 9 23 6 9 4 9 41 26 22 17 7 5 6 10 6 3 1 3 1 1 3 4 5 5 2 2 6 4 4 1 0 1 1 1 1 1 1 1 2 2 2 1 2 2 1 1 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 2 2 8 1 0 0 0 1 0 1 1 1 2 3 1 6 11 6 3 4 2 7 10 8 4 6 4 6 2 2 8 9 7 9 6 2 0 0 1 1 1 1 1 2 5 2 8 100 67 28 22 10 64 3 2 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 1 1 2 4 6 1 1 1 2 2 2 15 13 6 2 1 1 1 0 0 0 0 0 0 0 1 1 1 1 0 1 0 1 1 1 2 3 13 33 15 34 13 4 8 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 t 1H J 36 | 59 59 t 1H J 52 | 34 33 m 5H | 26 26 t 2H J 47 | 25 25 t 2H J 54 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
ir: 15 8 5 5 7 6 4 6 7 5 5 7 8 5 5 6 7 7 6 7 8 11 7 6 7 8 5 5 5 5 4 5 5 5 5 5 17 11 8 6 5 7 7 6 5 4 4 5 5 4 6 10 9 7 5 5 5 5 5 5 5 4 5 5 15 12 5 6 5 5 5 5 6 13 18 7 12 7 5 4 5 6 5 3 76 0 7 7 4 4 6 6 8 5 6 5 4 4 5 5 4 4 5 5 3 8 6 5 4 5 7 5 4 4 8 6 4 5 5 5 4 5 8 6 5 5 5 11 6 5 6 7 5 5 6 8 10 52 100 7 6 6 6 5 7 6 6 5 7 18 6 3 13 6 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 8 11 5 6 5 4 5 5 5 5 8 9 6 5 9 6 4 4 5 5 4 4 5 6 7 5 5 5 5 5 5 23 28 10 6 6 5 4 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 94 93 s 1H | 57 57 dq 1H J 9 27 | 56 55 dq 1H J 15 27 | 20 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c(Cl)nc2c1c(=O)n(CCCOS(C)(=O)=O)c(=O)n2CCC
ir: 5 4 5 5 3 2 8 13 11 3 3 1 1 1 1 1 2 1 0 1 1 0 0 1 1 1 0 0 1 0 1 2 2 6 5 2 1 2 1 1 2 1 2 7 4 3 4 3 2 2 1 2 2 1 1 1 2 7 1 1 1 2 1 1 2 2 2 1 2 5 5 6 10 17 28 11 2 1 2 2 2 1 3 3 4 14 24 43 30 100 18 11 6 3 3 3 2 1 1 1 1 1 1 1 1 1 2 2 3 4 7 5 7 3 4 3 3 4 5 3 4 5 4 7 6 13 9 4 5 2 2 2 1 1 1 1 1 2 2 1 0 1 1 1 0 1 8 6 1 1 4 5 1 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 2 1 2 3 4 2 2 2 4 3 4 27 29 11 5 5 5 2 3 3 1 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 60 59 ddt 1H J 63 108 161 | 53 52 dq 1H J 16 108 | 51 50 dq 1H J 13 162 | 47 47 dt 2H J 14 62 | 42 41 t 2H J 72 | 41 40 t 2H J 72 | 39 39 t 2H J 68 | 30 30 s 2H | 21 20 p 2H J 71 | 18 17 h 2H J 75 | 11 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=C(CC)c1cccc2nc(Cc3c(Cl)cc(C(F)(F)F)cc3Cl)n(C)c12
ir: 2 3 6 2 4 1 1 1 1 3 8 2 3 6 11 5 14 3 2 2 1 2 3 9 2 1 2 1 3 7 1 2 2 2 3 2 1 3 6 2 3 1 1 1 2 2 5 4 92 4 2 8 2 4 5 3 3 3 5 10 4 2 4 4 3 7 65 34 5 6 3 0 10 23 3 1 2 12 7 1 1 2 1 0 1 4 2 1 1 2 1 0 1 1 0 1 11 36 10 15 1 2 1 2 3 2 1 2 2 3 3 2 9 6 12 17 6 5 5 4 3 3 2 5 8 11 77 5 4 1 1 10 3 3 2 3 11 11 2 18 16 6 4 23 6 4 2 3 1 1 1 1 1 2 2 1 1 1 4 8 4 1 1 1 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 3 2 1 1 1 4 3 6 3 2 2 4 6 19 9 7 47 100 52 15 5 3 2 1 1 0 2 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 14 69 | 76 76 q 2H J 10 | 74 73 dd 1H J 70 77 | 73 72 dd 1H J 16 78 | 58 57 qt 1H J 15 53 | 42 42 s 2H | 38 38 s 2H | 26 25 qt 2H J 11 72 | 18 17 dt 3H J 9 53 | 11 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCc1ccc(O)c(CCCCCCCCCCO)c1
ir: 3 1 3 4 0 3 4 4 3 4 2 5 8 2 5 4 6 4 4 1 1 1 2 3 0 1 1 1 0 1 2 0 1 3 7 5 2 5 3 2 7 8 2 5 3 4 1 2 2 4 4 18 12 3 14 6 2 3 2 1 2 4 3 4 3 7 6 8 6 7 6 2 3 6 1 3 4 8 100 20 14 6 5 8 12 8 7 19 32 94 48 30 26 17 12 3 6 3 2 9 3 4 5 7 3 7 2 10 12 10 3 8 7 3 4 7 10 16 16 16 9 7 1 5 3 4 6 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 4 4 4 2 1 1 6 5 1 1 3 2 1 0 0 0 1 0 1 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 2 2 1 1 2 2 2 2 4 10 10 7 6 4 7 6 6 9 7 6 17 21 24 7 9 2 4 8 6 8 47 55 23 9 4 2 1 2 2 1 1 1 0 1 3 2 1 2 3 3 2 2 2 1 2 1 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 ddt 1H J 9 18 86 | 68 67 dt 1H J 10 19 | 66 66 d 1H J 88 | 61 60 s 1H | 36 35 q 2H J 58 | 27 27 t 1H J 59 | 27 26 td 2H J 8 83 | 26 25 tt 2H J 9 79 | 17 15 m 6H | 14 13 m 7H | 13 13 m 3H | 13 12 m 10H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1
ir: 6 2 3 2 4 3 4 5 8 11 3 5 6 7 19 4 3 3 3 6 6 13 100 10 1 4 4 7 2 3 3 1 1 2 4 4 6 3 3 2 12 4 2 2 1 2 2 1 2 3 3 2 5 30 25 1 4 5 2 0 2 4 4 6 5 7 15 1 7 7 3 1 2 2 1 4 17 7 3 28 11 6 6 26 8 18 2 6 5 4 6 4 3 4 1 2 2 2 2 5 5 2 1 1 3 2 3 14 7 3 2 4 9 6 4 4 3 11 6 7 14 4 3 3 3 4 3 3 3 1 1 2 3 2 2 2 2 2 2 2 4 2 5 25 5 3 20 8 5 2 7 5 14 2 2 2 2 1 2 2 1 1 2 2 2 3 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 2 3 4 3 1 2 2 4 6 11 9 18 40 13 8 7 1 2 2 2 3 6 62 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 82 d 1H J 21 | 81 80 d 1H J 91 | 78 78 dd 1H J 21 91 | 78 77 q 1H J 8 | 75 75 m 2H | 70 69 m 2H | 38 38 s 3H | 35 34 t 2H J 97 | 27 26 td 2H J 9 97
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc2ccc(F)cc2c(-c2ccc(S(=O)(=O)c3c(F)cccc3F)cc2)c1C
ir: 2 3 5 2 2 4 5 4 4 8 8 2 2 4 21 6 16 7 7 8 7 7 4 1 1 2 2 5 1 7 3 1 1 2 4 2 2 2 2 1 2 4 3 0 1 6 24 70 8 2 2 6 4 0 17 4 19 4 2 0 2 3 4 5 13 3 3 5 8 3 3 1 2 5 2 1 2 3 2 1 3 9 5 8 8 19 6 6 3 2 2 4 7 1 1 1 2 3 2 3 1 6 3 2 2 2 3 9 3 1 1 1 2 1 1 4 2 2 2 3 3 4 4 27 6 2 1 1 2 2 2 3 3 2 1 2 2 2 2 27 9 4 3 11 11 100 3 4 3 1 1 2 4 1 6 16 5 13 3 2 1 11 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 4 2 1 1 1 2 3 6 6 10 15 85 19 13 6 3 2 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2; 1HNMR: 82 81 m 2H | 79 78 ddd 1H J 22 38 82 | 78 77 dd 1H J 27 122 | 77 76 m 2H | 75 74 tt 1H J 52 78 | 74 74 dt 1H J 8 21 | 73 73 ddd 2H J 11 78 97 | 72 71 ddd 1H J 26 81 96 | 37 37 d 2H J 9 | 37 36 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(NCC2CCN(c3ccc(CN4CCCC4)cc3)CC2)nc1
ir: 11 8 6 7 1 2 1 6 6 12 12 6 4 4 3 4 5 5 2 2 2 3 2 1 2 1 2 1 2 1 3 15 11 5 4 3 4 12 10 25 3 3 2 2 2 1 6 4 5 1 2 6 7 18 12 27 22 10 9 7 5 3 2 6 8 5 13 5 3 7 8 3 3 4 2 2 2 8 11 9 3 7 4 7 11 7 10 8 11 2 4 4 3 13 12 8 4 5 8 3 8 8 8 8 9 8 18 28 22 4 1 4 5 2 1 2 2 2 0 4 9 4 6 7 7 6 4 3 3 7 21 7 4 16 7 7 11 23 42 26 13 16 43 11 8 4 5 5 7 31 83 7 6 4 7 3 3 3 52 17 4 8 2 4 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 1 1 1 3 5 2 2 2 2 1 2 6 4 2 11 20 66 100 28 12 5 6 6 5 4 2 2 1 1 0 2 1 1 0 1 2 4 11 9 13 47 41 55 48 14 7 3 2 2 4 2 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 17 43 | 78 78 td 1H J 16 72 | 72 72 dt 2H J 9 90 | 68 68 m 2H | 66 65 ddd 1H J 14 44 71 | 64 64 dd 1H J 14 76 | 59 58 t 1H J 58 | 35 35 d 2H J 9 | 34 33 m 4H | 33 32 m 2H | 29 28 m 4H | 19 18 m 7H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CC[C@H]1CN(C(=O)OC(C)(C)C)CS1)C(=O)O
ir: 13 8 14 4 3 9 4 5 7 9 27 7 6 7 9 4 1 6 6 3 4 12 44 9 7 3 4 7 16 10 11 72 32 6 6 9 7 6 10 4 3 6 1 4 3 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 3 6 3 1 1 1 1 1 1 1 2 2 2 2 3 1 6 8 13 13 2 2 1 2 2 2 2 2 2 3 1 1 3 3 2 1 4 3 3 1 2 2 4 1 3 5 5 7 18 2 4 2 2 1 3 3 6 10 14 5 19 5 19 9 7 3 2 3 6 8 7 7 17 4 2 2 2 9 3 3 4 4 96 10 30 9 8 6 27 15 45 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 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 5 2 1 2 4 7 2 5 9 27 7 2 2 1 1 1 2 1 0 1 6 71 100 2 2 2 2 1 1 1 1 1 2 1 3 10 10 36 13 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 65 65 d 1H J 79 | 45 44 dd 1H J 20 126 | 44 43 d 1H J 126 | 43 42 dt 1H J 59 79 | 39 38 dt 1H J 8 107 | 36 36 m 1H | 34 33 dddd 1H J 11 23 44 71 | 20 19 dtd 1H J 59 77 137 | 19 18 dtd 1H J 59 78 137 | 18 17 dtd 1H J 59 79 137 | 16 15 dtd 1H J 59 77 136 | 15 14 s 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(C)(C)C)c(OC(=O)C2CC2)c(C(C)(C)C)c1
ir: 6 8 12 4 12 11 7 6 17 13 9 5 8 4 1 9 5 1 0 1 1 1 0 3 4 9 8 20 13 10 9 4 5 4 7 6 13 20 9 14 22 9 40 18 7 8 9 4 3 1 5 2 4 2 4 3 4 4 5 8 6 16 9 8 7 19 12 45 13 3 7 7 14 0 11 7 5 2 2 4 2 3 6 19 8 10 10 14 7 5 20 36 12 8 5 6 1 5 6 7 2 6 10 19 11 10 6 5 1 3 2 9 3 4 6 9 17 8 10 12 10 9 8 7 4 4 4 6 13 16 21 12 9 11 4 8 6 12 15 16 12 18 50 26 44 62 49 40 100 53 15 23 32 8 9 5 3 2 1 4 5 7 2 3 10 13 6 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 3 5 6 3 4 3 6 2 3 5 6 12 6 22 36 63 28 51 58 40 39 18 15 27 10 5 3 3 2 3 1 1 1 2 1 2 2 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; 1HNMR: 70 70 s 2H | 23 23 s 3H | 19 18 p 1H J 63 | 14 14 s 17H | 13 12 m 3H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(-c2cccc(C(=O)CCN3CCOCC3)c2)ccn1
ir: 22 6 13 10 7 5 9 11 11 17 5 12 10 10 7 6 4 5 2 27 11 7 3 7 10 5 12 10 11 9 6 17 15 27 22 16 11 9 7 4 6 4 7 8 24 16 5 3 7 1 4 4 5 3 3 2 2 3 3 3 3 3 9 6 16 31 30 10 8 4 5 10 6 14 15 8 2 4 5 16 43 10 3 2 4 15 10 4 2 2 2 1 4 2 6 4 1 3 5 2 5 2 2 3 2 1 1 3 1 2 1 2 3 3 4 4 2 3 5 5 4 3 5 4 3 4 3 2 2 5 2 5 3 4 3 4 14 17 32 15 8 5 7 19 100 5 5 14 17 36 33 12 6 9 17 12 50 17 12 4 15 19 3 4 8 11 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 4 1 3 1 1 2 2 3 2 7 10 16 17 18 22 8 4 2 2 1 1 2 1 1 1 0 1 2 1 1 4 16 11 7 2 1 1 1 1 2 1 1 4 22 63 2 2 1 1 1 0 1 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 46 | 81 81 t 1H J 22 | 79 79 ddd 1H J 12 22 77 | 78 77 ddd 1H J 11 22 82 | 76 75 t 1H J 80 | 72 71 dd 1H J 22 46 | 71 71 d 1H J 22 | 52 52 s 2H | 37 36 m 4H | 32 31 t 2H J 63 | 29 28 t 2H J 63 | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Br)c1Nc1cccc(-c2ccccc2)c1
ir: 1 6 1 4 13 4 4 7 12 13 11 4 5 3 2 4 5 8 2 4 3 8 6 4 11 17 3 11 7 7 10 4 3 3 3 2 3 4 4 15 12 93 7 2 3 2 3 47 11 1 2 1 1 2 2 2 1 2 2 1 2 2 1 2 2 2 3 4 14 9 11 6 3 4 15 2 1 3 4 3 5 5 2 2 2 2 1 1 1 1 1 1 1 5 1 10 5 2 1 1 5 6 4 2 3 37 5 2 2 1 3 2 2 2 6 3 3 3 9 4 1 2 3 2 2 2 2 12 3 4 3 1 2 18 0 21 5 4 4 4 15 11 5 5 7 7 3 2 2 2 3 6 13 3 2 4 7 2 1 1 12 14 2 3 9 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 2 2 2 2 2 2 4 5 6 7 10 100 22 14 4 1 4 2 1 1 2 2 2 1 1 1 2 1 2 2 2 3 4 7 42 8 45 7 16 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 s 1H | 75 75 m 2H | 75 74 m 3H | 74 73 m 3H | 71 71 m 1H | 69 68 m 1H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
ir: 1 1 2 2 2 2 2 2 1 1 1 2 1 2 1 1 2 1 1 1 2 2 4 6 7 7 4 4 2 6 5 4 4 19 4 3 8 3 2 2 2 1 1 1 1 1 3 1 1 4 4 5 2 2 6 4 1 2 2 2 1 1 1 1 2 1 3 6 9 2 3 1 2 1 3 3 2 2 6 17 18 11 3 3 12 5 16 12 20 13 6 7 2 4 8 3 4 3 1 1 1 3 2 1 3 12 3 4 2 2 2 2 4 2 1 3 5 2 2 2 4 5 3 6 8 3 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 4 13 28 53 11 4 3 0 4 6 3 11 3 1 1 0 0 1 1 1 6 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 3 5 5 6 4 3 5 4 6 5 2 10 6 13 6 25 1 2 3 3 4 19 100 12 4 2 2 1 1 1 1 1 3 4 3 4 18 12 8 6 7 5 3 3 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 7 90 | 67 66 dd 1H J 21 89 | 65 65 dt 1H J 8 20 | 64 64 s 1H | 59 58 q 1H J 50 | 37 36 m 1H | 30 30 d 3H J 49 | 29 29 ddd 1H J 8 50 141 | 28 27 d 1H J 51 | 27 26 ddd 1H J 8 77 141 | 25 24 m 1H | 22 22 t 2H J 84 | 20 19 dddd 1H J 42 66 92 133 | 19 17 m 3H | 17 16 m 5H | 16 15 m 2H | 15 15 m 1H | 15 13 m 4H | 13 12 m 10H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OC)c(OCC(F)(F)F)c1
ir: 17 20 19 14 19 20 10 10 16 13 12 11 13 5 3 7 9 4 4 9 14 23 16 21 34 10 5 7 8 2 3 10 9 17 25 15 12 18 7 12 8 9 13 10 6 2 6 10 6 2 5 7 6 16 53 41 6 3 5 8 5 9 34 24 9 4 15 32 18 49 53 20 5 3 7 8 4 2 8 8 3 2 6 7 2 4 8 10 3 15 17 25 7 4 10 9 17 16 8 9 10 36 25 14 14 23 14 9 1 4 8 5 1 10 16 92 43 17 40 23 6 9 11 11 10 22 30 27 27 20 6 5 3 6 8 4 4 6 6 5 8 16 67 28 25 17 12 8 4 8 16 34 24 10 8 9 12 8 5 1 4 8 6 2 4 8 4 0 4 8 4 0 4 8 4 0 5 8 4 1 5 7 3 1 5 7 3 1 5 7 3 2 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 5 1 3 7 4 1 4 7 4 1 4 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 2 6 6 3 3 6 6 2 3 7 6 3 4 7 5 2 5 11 6 4 6 9 6 2 6 12 27 17 62 100 51 16 11 11 8 4 5 6 4 2 5 6 4 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 77 76 dd 1H J 20 86 | 75 75 d 1H J 20 | 70 69 d 1H J 87 | 48 47 q 2H J 129 | 39 38 d 6H J 97
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1
ir: 6 5 4 3 4 7 2 4 3 3 3 3 5 3 6 3 3 2 3 2 2 3 5 3 3 4 4 3 7 3 4 4 8 12 9 4 6 5 30 28 13 5 3 3 4 3 3 7 8 4 4 4 3 2 3 4 3 3 3 3 4 6 4 5 5 3 3 5 4 3 3 3 5 3 3 3 2 3 3 3 3 2 3 4 3 3 4 3 3 6 6 3 3 3 3 3 4 2 3 3 3 2 3 3 2 3 3 4 8 3 5 4 3 5 7 9 3 3 4 3 4 4 4 3 8 7 8 3 4 4 4 6 4 4 4 2 2 3 5 4 8 5 4 3 3 13 100 14 8 0 31 72 7 12 13 3 3 4 7 2 2 3 5 5 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 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 2 3 3 3 3 3 3 3 3 3 3 7 5 5 21 12 5 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 84 83 m 3H | 81 80 ddd 1H J 12 21 77 | 78 77 ddd 1H J 13 22 88 | 76 76 dd 1H J 78 87 | 74 73 dd 1H J 42 71 | 71 71 dt 1H J 19 70 | 44 43 t 2H J 59 | 39 38 m 7H | 38 37 m 4H | 33 32 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(-n2cnnc2-c2cc3c(s2)-c2ccc(C(=O)NC)cc2OCC3)c(Cl)c1
ir: 9 8 10 4 4 2 2 3 3 5 1 8 5 7 4 5 8 8 4 15 17 20 14 5 3 9 2 3 4 3 8 3 5 6 21 23 21 16 33 36 40 8 11 2 3 3 3 1 3 3 1 1 2 4 12 21 4 3 3 3 4 4 4 3 2 5 3 6 6 5 22 2 2 3 2 2 2 2 9 6 6 4 1 1 3 3 4 7 3 3 25 5 4 3 4 2 2 1 2 2 6 3 5 2 1 1 1 1 1 1 1 1 4 6 4 2 4 3 4 4 2 6 2 3 27 13 8 6 3 2 2 2 2 7 4 1 8 3 5 3 6 73 96 49 24 33 100 7 3 2 7 6 8 10 2 3 3 1 1 2 1 0 1 6 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 2 3 1 1 4 1 0 2 3 3 6 5 21 11 96 35 11 3 3 2 2 2 1 1 1 1 2 2 2 2 1 2 2 1 9 9 8 18 33 49 30 6 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 s 1H | 80 80 d 1H J 21 | 79 79 dd 1H J 21 83 | 78 78 dd 1H J 20 79 | 77 76 d 1H J 83 | 76 76 d 1H J 80 | 75 74 d 1H J 20 | 73 73 d 1H J 9 | 67 66 qd 2H J 18 51 | 43 42 t 2H J 57 | 30 29 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(Cl)C1CC1
ir: 9 10 12 11 11 10 10 10 10 10 12 11 9 28 31 18 0 20 23 24 16 11 10 11 10 10 10 10 10 17 86 69 19 9 11 13 11 56 18 20 21 18 11 12 11 10 11 11 11 10 10 11 11 11 10 11 10 10 14 13 10 10 10 10 10 10 10 10 10 10 11 12 11 10 11 12 19 16 14 10 11 11 11 10 11 15 15 20 11 11 11 10 12 10 11 11 11 15 14 12 10 10 10 10 10 12 11 12 11 10 10 10 10 10 10 22 28 13 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 11 10 10 11 11 25 23 21 18 15 12 11 10 10 12 11 11 11 23 91 49 16 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 12 15 24 14 11 12 10 11 13 16 13 9 12 16 12 10 10 10 10 10 10 10 10 10 10 11 89 26 22 9 10 11 10 10 11 11 9 10 25 100 36 19 10 10 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 68 67 s 2H | 42 42 d 1H J 51 | 21 21 h 1H J 51 | 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.
CC(O)N1CCC(Oc2ccc(N)cc2)CC1
ir: 16 19 17 8 29 13 13 11 8 5 3 5 2 6 4 4 2 7 4 1 2 2 1 2 4 2 2 2 2 2 2 1 2 4 3 2 1 2 4 1 2 2 1 1 1 4 2 3 1 4 3 4 3 12 12 24 9 4 3 1 1 2 2 0 2 1 1 2 4 7 1 1 2 2 3 6 3 9 23 20 10 6 17 14 7 3 3 2 23 15 7 8 3 1 3 1 2 2 3 9 4 3 1 1 1 3 8 3 2 1 2 3 2 5 5 2 3 3 1 2 2 2 1 1 1 1 3 4 3 3 5 3 1 5 3 2 1 1 0 1 1 0 0 1 1 0 0 4 1 1 1 3 6 7 21 19 15 8 2 1 1 1 2 5 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 2 1 1 2 1 1 2 2 2 9 3 8 18 12 4 3 0 1 1 1 2 12 2 2 1 1 1 1 1 3 10 100 5 1 1 1 0 1 0 2 2 4 28 16 17 5 3 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 m 2H | 66 65 m 2H | 45 44 qd 1H J 50 64 | 44 43 p 1H J 47 | 37 37 s 2H | 33 32 d 1H J 49 | 30 30 ddd 2H J 53 80 121 | 28 28 ddd 2H J 52 80 121 | 22 21 ddt 2H J 50 79 129 | 19 18 ddt 2H J 50 80 130 | 14 13 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(O)CCCC(C)C
ir: 7 5 10 6 7 5 2 3 4 4 3 9 6 10 3 3 7 35 15 3 7 8 22 14 1 3 3 1 2 2 2 1 2 3 3 2 2 3 2 2 5 2 2 1 2 2 2 1 2 2 2 1 1 3 2 2 2 3 3 5 10 10 8 3 3 4 2 1 3 3 3 3 6 16 26 16 100 29 40 43 24 15 11 7 8 7 2 3 4 5 12 7 7 3 8 14 9 7 9 7 17 30 24 7 13 14 19 14 11 5 4 10 6 4 7 7 5 6 4 9 12 7 3 4 2 5 3 4 9 7 2 4 3 2 2 2 2 1 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 2 1 1 14 3 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 3 1 1 2 2 1 1 2 2 1 2 3 3 2 3 7 4 6 4 6 7 16 7 8 9 30 34 8 3 1 3 3 2 0 3 7 3 91 81 0 4 4 2 2 3 35 72 6 3 3 2 3 5 3 6 4 5 3 4 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 26 26 s 1H | 23 22 s 1H | 18 17 dt 1H J 64 138 | 16 14 m 3H | 15 14 s 3H | 14 13 m 1H | 13 11 m 2H | 9 8 dd 6H J 12 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(N2CCC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1
ir: 8 5 8 4 9 9 9 6 6 9 5 3 1 4 6 4 2 5 6 9 11 15 12 5 15 9 4 4 3 13 14 15 8 10 7 6 10 16 9 18 15 24 14 14 11 20 9 12 60 9 6 5 6 14 9 16 25 19 22 7 6 6 8 3 10 12 17 21 20 30 10 6 6 8 37 3 6 8 13 4 6 7 6 5 5 6 3 3 8 7 4 5 6 9 8 5 11 8 14 13 15 6 3 7 66 22 9 4 7 7 3 7 10 9 6 7 10 18 4 13 11 4 2 6 11 21 28 12 11 10 3 5 5 2 2 4 4 3 2 5 6 4 4 13 7 8 27 39 54 72 23 21 10 27 9 11 6 29 7 5 4 20 4 6 6 3 4 4 4 1 3 4 3 2 3 4 3 2 3 3 3 5 51 9 2 0 4 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 5 4 2 3 5 6 5 5 5 4 4 6 8 6 10 20 13 40 100 26 30 8 18 9 6 5 3 5 7 3 3 4 5 3 2 4 5 5 4 5 12 8 49 72 14 5 5 6 4 2 3 4 3 2 2 4 3 2 2 4 4 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4; 1HNMR: 96 95 s 1H | 77 77 m 3H | 77 76 m 2H | 74 74 t 1H J 22 | 74 73 t 1H J 79 | 69 68 ddd 1H J 11 21 77 | 44 43 q 2H J 64 | 43 42 ddt 1H J 18 35 52 | 36 35 ddd 1H J 33 49 125 | 35 34 m 1H | 23 22 dddd 1H J 34 48 66 130 | 21 19 m 2H | 19 18 m 1H | 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.
CCCCCCC(CC)Oc1c(I)cc(I)cc1I
ir: 1 1 1 1 1 2 3 2 1 1 1 1 1 3 1 5 1 3 1 1 0 1 1 1 1 1 1 1 1 1 8 2 1 1 1 1 3 3 59 4 2 2 3 2 2 1 1 1 1 3 2 7 4 2 1 0 2 4 2 0 1 2 1 1 4 72 68 9 6 6 4 4 4 2 2 1 1 1 1 1 2 1 9 18 2 1 1 1 1 1 1 1 3 1 1 1 1 6 2 6 4 9 4 4 2 4 3 2 2 8 7 6 1 6 2 7 3 5 30 8 14 4 6 2 4 4 2 2 1 1 1 3 4 21 7 2 2 1 1 1 1 1 1 3 0 1 1 1 1 1 1 1 2 1 1 1 7 2 1 1 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 0 0 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 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 3 3 4 4 2 4 4 10 4 4 14 25 21 7 100 14 2 2 2 1 4 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 s 2H | 45 44 m 1H | 19 17 m 2H | 16 15 m 2H | 15 14 m 1H | 14 13 m 5H | 13 12 m 1H | 13 13 s 1H | 10 9 td 3H J 15 76 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O[C@H]2CCC[C@@H](N3CCCCC3)C2)ccc2[nH]ncc12
ir: 4 8 4 4 3 3 0 8 5 5 5 10 14 64 16 8 5 3 4 3 5 4 2 4 3 2 3 4 7 7 33 7 5 5 13 3 3 4 3 5 5 5 7 7 4 3 3 4 5 5 5 9 13 33 16 6 5 6 5 4 6 3 4 2 3 4 4 4 5 4 3 5 8 5 9 4 4 9 6 5 5 6 6 7 16 13 49 5 9 11 6 9 9 7 4 5 6 4 9 8 7 5 3 4 8 21 10 29 12 11 10 30 99 41 16 9 6 5 5 3 6 4 8 8 6 4 2 3 4 4 5 11 6 4 3 3 4 8 10 4 5 10 15 4 5 8 4 2 2 2 2 3 4 20 24 5 5 6 8 3 3 4 11 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 4 7 5 5 5 4 3 4 3 7 10 11 8 14 10 15 14 4 3 3 3 3 3 3 3 3 2 2 4 4 2 2 3 2 2 3 4 5 6 9 33 24 100 8 6 3 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 83 s 1H | 74 74 d 1H J 81 | 68 68 d 1H J 81 | 44 43 ttd 1H J 24 37 62 | 28 27 m 3H | 26 25 ddd 2H J 41 58 121 | 22 21 s 2H | 20 19 m 2H | 18 17 m 2H | 18 17 m 1H | 17 16 m 1H | 17 15 m 3H | 16 15 m 3H | 15 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1c(C)c(C)c(OC(C)=O)c(C)c1N
ir: 7 5 13 11 2 7 6 16 7 8 9 14 10 6 21 9 9 7 4 4 5 2 3 6 9 18 11 5 2 3 4 8 1 2 1 1 2 1 1 1 2 1 2 3 2 2 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 2 1 3 9 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 1 1 2 8 3 1 1 0 0 0 0 0 1 2 2 1 0 1 1 1 2 4 2 1 1 1 1 3 3 1 2 5 4 8 15 18 14 9 8 9 4 2 3 1 1 1 1 2 1 1 2 3 11 24 16 7 3 4 25 14 3 1 0 5 3 6 41 3 2 2 12 12 16 11 3 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 1 1 1 1 1 1 1 2 1 2 4 9 6 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 4 8 47 7 3 3 2 21 25 18 7 3 2 15 100 11 2 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 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; 1HNMR: 56 56 q 1H J 50 | 45 45 s 2H | 30 29 d 4H J 50 | 23 23 s 3H | 21 21 s 3H | 21 21 s 3H | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCn1c2ccccc2c2c(Br)cccc21
ir: 2 3 4 2 1 2 2 2 2 2 2 1 1 2 2 4 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 7 2 2 3 3 8 68 9 6 10 6 5 45 8 8 54 21 4 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 3 2 2 3 2 9 4 6 18 7 3 6 3 3 14 3 1 1 2 2 2 4 2 2 2 2 2 2 1 2 3 2 2 9 19 6 4 5 3 3 4 4 4 3 6 5 5 6 0 13 15 5 6 6 3 3 2 2 2 2 3 2 5 31 15 10 13 9 35 5 6 8 2 3 3 3 2 8 2 1 25 3 1 2 12 4 2 2 3 10 2 3 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 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 1 2 2 1 2 2 3 4 4 8 7 4 3 4 3 4 5 4 5 22 12 5 25 100 36 10 4 4 4 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 dd 1H J 13 72 | 77 77 dd 1H J 14 64 | 76 75 dd 1H J 11 75 | 74 74 td 1H J 14 72 | 73 73 m 2H | 72 72 dd 1H J 66 75 | 42 42 t 2H J 58 | 19 18 p 2H J 59 | 14 12 m 14H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1
ir: 2 6 2 4 2 2 2 6 2 2 5 33 6 3 3 2 1 2 3 2 7 3 2 4 2 1 4 2 6 7 18 19 12 6 4 9 15 8 4 7 22 31 15 5 4 5 9 21 14 13 21 5 4 12 10 6 4 4 4 9 5 7 4 1 1 3 5 4 21 14 2 1 2 4 8 11 4 7 5 9 3 3 1 4 2 1 1 1 4 10 2 1 3 4 13 2 7 5 4 1 3 1 1 6 13 3 12 6 5 11 6 6 13 8 3 6 7 12 32 15 10 20 12 10 6 4 5 8 10 6 14 8 4 2 6 18 9 4 3 2 1 5 7 72 21 6 26 22 20 5 4 3 5 4 1 3 2 6 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 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 0 1 1 1 1 1 1 0 1 1 1 1 0 1 2 1 2 3 2 2 3 4 2 6 7 3 6 5 14 12 9 100 30 12 3 3 3 3 3 1 2 3 1 0 3 2 1 2 3 9 7 58 13 6 13 5 9 36 25 7 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dt 1H J 16 83 | 78 77 dd 1H J 7 84 | 77 76 m 1H | 76 76 td 1H J 12 23 | 76 75 ddd 1H J 15 70 87 | 74 74 ddd 1H J 11 69 82 | 73 72 m 6H | 71 70 t 1H J 64 | 47 46 dq 1H J 50 70 | 46 45 tq 1H J 15 80 | 41 41 p 1H J 32 | 39 38 m 2H | 37 36 m 1H | 35 35 ddd 1H J 29 64 132 | 33 32 ddd 1H J 29 64 132 | 32 31 ddt 1H J 9 80 137 | 31 30 ddt 1H J 9 66 136 | 30 29 m 4H | 28 27 ddt 1H J 9 66 135 | 25 24 dd 3H J 15 49 | 21 19 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(Oc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
ir: 9 12 15 29 27 18 23 14 20 25 24 16 22 10 12 8 22 5 2 3 4 2 2 2 2 2 6 6 4 3 4 4 8 2 1 3 6 2 3 5 6 11 12 29 5 4 6 5 9 3 3 2 4 11 10 27 26 12 8 5 3 1 3 4 3 1 3 3 4 5 12 3 5 4 8 4 4 6 6 7 8 4 3 3 3 6 9 4 3 3 2 1 2 3 2 4 10 10 5 4 6 4 2 3 4 3 1 4 12 21 10 12 24 16 7 16 8 12 19 14 10 21 9 9 28 7 8 7 13 7 3 8 13 38 15 22 41 18 36 3 4 45 1 5 6 21 13 19 20 17 100 33 5 11 3 2 1 3 2 0 2 6 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 5 4 7 7 5 4 3 5 8 25 47 13 11 79 34 4 3 7 4 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 14 67 | 76 76 dd 1H J 15 73 | 75 74 td 1H J 15 69 | 74 73 td 1H J 14 72 | 73 72 ddt 2H J 8 35 74 | 71 70 m 2H | 54 54 d 2H J 10 | 47 47 p 1H J 45 | 41 40 q 2H J 65 | 37 37 ddd 2H J 60 87 123 | 34 33 ddd 2H J 59 86 123 | 23 22 dddd 2H J 46 60 88 132 | 21 20 dddd 2H J 45 59 86 132 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Nc1c(-c2cccc(Cl)c2Cl)nc2sccn12
ir: 1 3 5 2 2 4 7 9 5 2 1 2 1 2 2 1 1 2 5 4 2 1 0 1 1 10 1 1 1 1 1 3 4 11 5 7 13 26 86 100 32 10 4 9 7 2 27 61 16 4 2 1 2 1 2 15 6 1 2 3 23 16 21 18 4 3 2 0 1 1 1 3 1 2 2 1 2 3 1 0 2 2 1 0 1 1 0 3 5 6 1 1 5 12 3 6 3 1 1 1 0 1 0 1 5 1 1 1 1 1 2 1 1 13 4 2 3 6 8 22 21 16 8 4 2 4 3 8 24 39 32 16 9 14 41 5 4 2 4 3 2 10 3 1 1 2 6 5 46 9 2 1 2 2 2 3 1 1 1 0 1 3 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 1 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 2 1 2 4 6 2 2 1 1 2 2 3 3 3 9 9 12 54 74 76 80 30 11 10 29 5 0 2 2 1 0 1 1 1 1 2 2 5 5 14 21 11 2 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H | 74 74 m 2H | 73 73 d 1H J 60 | 59 59 s 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(C)NCCC(O)(CC(=C)C)c1ccccc1
ir: 3 2 1 2 3 1 2 2 2 2 3 3 2 1 2 1 1 1 15 2 5 2 2 1 1 1 1 1 2 2 3 7 12 7 3 2 2 1 3 2 5 13 10 8 7 13 4 3 3 1 1 2 1 1 1 1 1 1 1 2 1 2 2 5 2 3 4 16 2 5 5 6 3 3 9 8 10 7 8 10 26 13 16 7 2 1 1 1 1 1 1 2 6 7 3 4 4 4 7 2 2 1 3 3 1 2 1 2 4 3 5 3 5 12 3 9 2 7 9 14 7 6 5 2 2 3 10 4 4 3 9 3 2 4 3 23 2 4 5 6 4 2 2 5 4 4 4 1 1 1 1 1 1 9 0 1 1 2 1 0 2 1 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 1 3 2 4 7 8 5 12 50 27 11 3 2 13 5 5 7 9 2 3 3 1 2 2 2 7 8 5 100 7 7 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 73 72 m 2H | 71 70 tt 1H J 14 62 | 49 49 hept 1H J 14 | 47 47 dh 1H J 10 21 | 37 37 s 1H | 36 35 t 1H J 55 | 30 29 dq 1H J 55 136 | 29 28 dq 1H J 55 136 | 27 27 dt 1H J 14 157 | 25 25 dt 1H J 14 159 | 23 22 s 1H | 20 19 dt 1H J 55 150 | 18 17 m 4H | 15 14 d 6H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](C)C(=O)O
ir: 2 3 4 3 2 5 6 3 2 4 8 27 68 17 9 4 11 13 6 9 84 100 51 13 12 19 11 3 7 7 10 25 99 67 94 21 10 6 5 3 5 7 6 7 6 18 5 1 2 5 3 0 4 5 3 0 3 6 5 2 3 6 3 1 4 9 3 3 9 13 29 20 12 9 3 3 14 13 15 14 67 21 21 7 4 7 11 9 9 4 3 3 3 3 3 5 8 6 3 3 4 4 1 3 4 3 2 4 11 10 11 10 5 5 7 5 6 10 4 17 31 52 24 59 24 5 9 6 5 3 4 3 3 3 3 3 4 4 4 9 6 2 99 39 80 30 95 35 26 10 7 4 4 2 2 4 3 2 2 4 3 2 2 3 3 1 2 3 3 1 3 4 3 2 3 4 3 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 6 4 4 3 3 3 2 3 4 7 12 10 16 6 10 19 7 9 7 4 4 4 3 3 2 3 11 37 57 8 2 4 5 3 2 3 7 5 19 22 46 35 19 86 35 53 11 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 80 79 d 1H J 84 | 44 43 dq 1H J 61 84 | 20 20 s 3H | 13 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1Oc2ccc(F)cc2N(CC=O)C(=O)[C@H]1NC(=O)OC(C)(C)C
ir: 3 3 6 6 7 4 7 3 3 5 6 4 3 12 7 4 14 1 2 0 1 3 1 2 2 4 4 8 6 3 2 13 15 35 8 31 40 26 13 8 3 3 1 1 2 5 3 2 2 2 3 9 9 10 20 10 2 2 5 2 4 2 3 3 2 2 2 4 12 3 5 6 2 3 5 6 1 2 1 4 5 1 1 1 2 1 1 3 1 0 0 1 3 1 1 2 4 3 4 4 2 3 7 3 4 6 3 2 2 3 5 5 4 7 5 3 7 6 9 4 13 5 11 9 8 9 14 17 19 11 32 44 15 2 6 1 2 1 1 1 2 1 5 8 4 11 58 29 8 41 11 10 3 15 8 2 1 0 1 1 0 4 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 1 0 0 0 0 0 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 2 3 1 2 1 0 1 2 2 3 7 6 5 6 23 4 3 100 14 4 3 1 1 1 1 1 0 0 2 2 2 1 0 1 0 0 1 1 1 1 6 16 51 15 3 7 3 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; 1HNMR: 98 98 t 1H J 46 | 72 71 dd 1H J 21 121 | 70 69 ddd 1H J 21 86 101 | 69 68 dd 1H J 46 87 | 53 53 d 1H J 95 | 50 49 p 1H J 66 | 47 45 m 3H | 14 14 s 8H | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#C[C@]1(O)CCc2cccnc21
ir: 7 6 4 4 2 6 4 8 7 4 3 4 5 7 3 3 3 3 4 6 6 5 3 4 3 5 5 5 3 3 4 4 3 6 13 26 13 4 3 6 6 3 3 3 3 2 3 3 3 2 3 2 3 2 3 3 2 2 3 6 12 2 3 8 5 3 3 2 2 3 5 5 3 4 5 7 12 31 29 13 6 4 8 3 6 3 3 5 5 17 7 4 4 16 6 5 4 4 4 9 4 4 5 5 31 9 4 3 2 3 4 3 7 3 2 2 2 2 2 2 3 4 3 3 5 3 3 3 2 4 22 7 1 3 3 2 2 3 10 2 2 3 2 2 2 17 3 2 2 2 2 2 2 6 20 11 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 3 2 3 3 3 2 3 3 3 3 3 4 4 3 3 3 3 2 3 4 18 4 10 13 14 5 4 4 3 0 5 15 100 10 2 0 2 3 2 9 14 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 84 dd 1H J 21 36 | 79 79 ddt 1H J 9 18 69 | 73 73 dd 1H J 37 70 | 45 45 s 1H | 30 29 dddd 1H J 8 54 72 158 | 28 27 dddd 1H J 9 55 73 158 | 27 27 s 1H | 26 25 ddd 1H J 53 71 152 | 24 23 ddd 1H J 55 72 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(c2ccc3c(C(=O)NC[C@@H](C)c4ccccc4)c(Cl)ccc3n2)CC1
ir: 18 3 6 4 2 3 4 5 9 5 4 3 2 3 2 5 3 2 2 1 3 4 12 9 22 8 12 11 5 5 13 25 17 10 6 15 12 9 28 10 5 31 10 6 2 1 1 8 16 13 1 0 3 10 60 100 22 17 4 3 2 2 3 2 3 2 2 4 5 2 2 3 3 6 5 5 4 1 1 1 2 1 0 2 4 17 7 2 1 6 10 2 3 2 4 1 3 3 5 4 3 7 8 8 5 4 10 11 8 3 14 16 7 5 9 6 7 8 5 6 4 9 12 17 12 5 4 3 4 5 1 3 6 4 6 20 8 10 6 4 16 16 11 24 41 32 35 52 24 18 11 48 24 6 4 2 5 52 12 3 1 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 2 2 2 3 1 3 6 8 8 16 8 15 19 27 12 11 3 4 1 1 1 1 1 1 1 0 0 1 1 1 1 2 2 3 12 19 15 22 9 4 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 79 | 80 80 d 1H J 84 | 76 76 d 1H J 84 | 73 72 m 6H | 72 71 d 1H J 79 | 42 41 q 2H J 63 | 37 36 m 3H | 35 34 m 3H | 31 30 m 1H | 28 27 p 1H J 61 | 23 22 ddt 2H J 61 90 124 | 21 20 ddt 2H J 61 90 125 | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(OCc2ccccc2C(=O)Cl)c(F)c1
ir: 4 3 2 4 5 4 1 2 6 6 3 4 4 2 1 2 3 2 2 7 18 12 12 10 8 2 6 9 4 2 5 10 3 2 5 10 11 10 20 15 6 3 46 88 4 3 7 2 2 1 1 2 3 7 3 20 19 3 6 4 3 1 2 4 7 8 8 8 7 3 3 3 1 1 2 2 2 1 3 3 0 1 2 3 2 2 3 9 5 6 26 11 4 3 3 2 2 10 10 4 2 3 3 5 3 9 17 3 1 2 2 2 0 2 3 2 1 1 2 2 2 4 3 3 5 6 2 2 2 2 3 2 2 2 17 12 2 3 9 34 22 9 15 3 5 7 8 3 19 30 11 4 18 11 3 2 1 2 2 2 11 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 2 1 1 1 1 0 1 2 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 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 2 1 1 1 2 2 3 3 8 34 60 100 31 10 10 15 4 1 2 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 80 79 dd 1H J 15 77 | 76 74 m 4H | 74 73 dd 1H J 21 121 | 70 70 dd 1H J 47 94 | 54 53 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(O)(CCC)CCc1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1
ir: 29 11 16 15 7 5 2 7 8 22 9 10 2 14 7 7 2 4 6 5 1 2 9 19 44 43 68 27 73 67 14 16 8 13 25 7 15 27 22 17 12 6 8 16 17 16 9 12 33 32 6 4 3 5 2 3 4 1 4 5 2 6 6 1 13 7 19 6 4 6 13 9 11 8 12 23 47 31 22 25 13 14 13 9 5 6 6 7 6 5 27 16 14 20 16 15 10 13 21 13 8 9 5 7 16 11 9 13 17 7 23 23 36 30 30 39 7 27 25 29 23 17 22 56 42 16 13 89 16 26 14 22 17 6 1 5 6 10 18 61 78 21 22 52 100 98 24 18 4 29 11 8 4 3 4 3 2 2 4 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 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 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 2 1 0 1 1 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 1 1 3 1 1 3 8 10 8 7 11 19 17 10 9 12 10 11 17 18 23 57 17 51 36 59 24 16 20 18 22 22 71 38 27 13 8 7 4 4 4 5 7 5 4 6 11 21 40 68 28 7 9 5 4 5 4 3 2 2 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 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 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 ddd 1H J 12 22 80 | 77 76 tt 1H J 8 21 | 74 73 t 1H J 80 | 73 72 ddq 1H J 10 20 80 | 60 60 t 1H J 49 | 35 35 td 2H J 49 56 | 33 33 t 2H J 57 | 27 26 tt 2H J 9 81 | 24 24 s 1H | 18 17 t 2H J 80 | 17 16 m 2H | 15 14 m 4H | 14 14 s 10H | 14 12 m 2H | 10 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Cl)cc1Cc1ccccc1)C(F)(F)F
ir: 15 7 10 4 2 1 21 8 2 1 2 2 2 5 8 1 2 3 16 2 1 3 2 1 3 3 2 2 1 5 18 13 3 4 12 8 6 22 30 3 81 77 51 7 8 16 7 6 33 29 5 3 15 10 64 28 7 4 3 4 1 1 1 1 2 4 21 22 13 5 3 5 2 2 7 67 9 5 13 4 2 2 1 1 13 12 3 3 9 16 2 1 5 3 2 6 24 11 56 27 9 22 2 1 1 1 1 1 1 1 2 2 2 5 2 5 16 2 2 2 1 5 3 2 1 1 1 1 2 3 4 3 2 1 9 29 6 15 6 4 2 5 13 19 8 12 11 11 23 34 13 28 17 35 28 3 2 1 2 4 1 2 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 1 0 1 0 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 0 1 0 1 1 0 0 0 1 0 1 0 1 1 0 1 1 1 0 1 1 1 2 4 2 2 2 3 1 3 8 9 9 44 78 61 20 6 2 3 3 2 1 3 3 1 0 1 2 1 0 3 5 5 8 14 11 17 100 48 8 4 8 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 q 1H J 10 | 74 74 d 1H J 83 | 73 72 m 2H | 72 72 m 4H | 71 70 dt 1H J 9 23 | 40 40 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C
ir: 3 2 2 1 0 1 1 1 0 1 3 1 0 1 1 1 0 2 4 2 1 1 2 0 0 1 2 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 4 7 9 2 1 3 1 1 1 2 1 1 1 1 0 2 2 1 2 1 1 1 1 1 3 5 5 7 9 9 11 3 3 3 1 1 0 1 1 2 3 2 3 2 1 1 3 3 3 1 1 1 2 5 2 1 1 1 0 2 5 3 3 5 3 1 1 2 1 2 2 1 2 1 1 2 1 1 0 2 1 1 1 2 1 1 1 1 2 1 0 1 1 0 2 4 9 2 1 1 1 0 0 1 2 2 1 1 0 0 0 0 0 0 0 4 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 3 8 12 3 2 2 3 4 5 2 12 2 1 1 1 1 1 2 4 100 44 3 1 0 0 0 0 14 19 1 0 0 1 1 1 1 5 3 3 4 1 1 1 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 ddq 1H J 10 20 101 | 64 63 dd 1H J 13 101 | 61 61 q 1H J 10 | 43 43 s 1H | 27 26 s 1H | 25 25 dddd 1H J 9 48 73 141 | 24 23 dddd 1H J 8 46 73 141 | 22 21 ddd 1H J 69 87 141 | 20 19 dddd 1H J 18 70 88 141 | 18 14 m 10H | 14 13 ddt 1H J 49 73 121 | 12 12 m 4H | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c12
ir: 7 8 8 7 6 8 8 8 7 8 16 11 7 10 11 11 16 26 14 8 7 7 7 7 7 8 7 6 7 8 8 8 7 7 7 7 7 7 8 7 8 13 10 10 10 11 11 16 57 49 26 0 38 15 9 46 10 8 8 10 7 7 7 7 7 8 7 29 28 12 8 9 21 11 14 8 8 8 7 7 9 10 7 14 17 31 8 14 8 7 7 7 7 10 8 8 11 10 12 8 10 7 7 7 7 7 7 7 9 12 21 9 8 9 8 8 13 13 11 10 9 8 9 8 8 9 8 8 8 7 10 9 7 10 7 10 17 9 9 23 23 72 11 100 8 9 7 10 58 8 9 9 16 8 7 8 9 15 16 8 12 7 8 6 32 30 7 9 7 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 8 8 8 7 10 19 12 79 23 17 51 16 12 8 10 9 8 8 8 7 7 7 8 8 7 8 8 7 8 8 10 8 8 11 15 18 37 12 15 19 10 8 9 7 9 8 8 8 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7; 1HNMR: 82 81 s 1H | 79 79 s 1H | 76 75 m 3H | 74 73 m 2H | 65 64 d 1H J 37 | 62 61 s 1H | 42 41 q 2H J 51 | 15 15 t 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc2cccc(Cl)c12
ir: 0 0 1 1 3 3 3 2 2 1 1 3 3 2 1 1 1 2 2 3 2 1 1 1 3 15 9 3 0 1 1 1 0 1 1 1 1 1 1 1 1 0 4 16 28 13 8 0 1 1 2 9 11 64 25 3 1 1 1 1 1 1 1 1 2 4 3 10 2 0 3 4 3 55 28 2 1 2 1 4 18 18 2 5 4 0 1 1 1 1 1 1 1 1 1 6 14 19 2 2 1 4 4 1 1 1 1 2 15 15 1 1 1 1 0 1 1 1 1 2 3 3 2 3 1 1 1 1 1 1 1 4 2 1 1 1 1 1 7 12 13 4 8 25 28 9 1 3 9 3 1 1 1 1 1 4 8 1 4 31 100 29 27 7 3 1 1 0 1 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 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 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 1 2 2 2 5 9 9 12 36 80 29 19 10 3 3 3 2 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 48 | 80 79 dd 1H J 12 76 | 75 75 dd 1H J 76 83 | 74 74 dd 1H J 13 84 | 73 72 dq 1H J 9 49 | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c([nH]1)c(=O)n(C)c(=O)n2-c1ccc(Cl)cc1Cl
ir: 4 12 20 8 6 11 13 6 4 6 8 4 2 6 10 5 5 6 7 3 2 5 8 3 2 5 5 3 2 5 7 8 4 6 8 6 4 9 7 3 5 8 10 5 6 10 8 5 3 6 4 3 8 33 31 11 10 11 5 5 15 12 17 100 48 15 30 37 10 11 12 5 6 9 3 2 12 11 16 20 22 8 4 14 14 12 15 15 13 22 10 6 13 12 5 22 33 16 7 13 16 61 23 9 8 10 4 9 10 11 4 9 12 17 42 37 49 22 21 40 16 11 14 14 26 29 21 16 10 8 8 13 11 9 8 6 7 3 4 5 6 11 7 4 4 7 11 24 39 8 28 100 61 1 3 7 5 1 3 7 5 0 3 6 4 1 3 7 3 0 4 9 5 1 4 7 4 2 4 6 3 2 5 6 3 1 4 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 6 2 3 6 7 4 4 10 8 5 7 9 8 3 11 12 11 13 13 32 23 56 48 46 36 74 76 18 18 8 5 11 8 3 5 7 30 20 8 5 3 4 5 5 4 2 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 4 5; 1HNMR: 75 75 d 1H J 87 | 75 74 d 1H J 21 | 73 73 dd 1H J 21 87 | 37 37 s 3H | 28 27 q 2H J 61 | 14 13 t 4H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1conc1-c1ccc(I)cc1
ir: 4 6 8 2 3 2 2 8 5 19 2 3 3 31 53 4 3 2 2 2 3 3 2 13 6 3 2 3 3 4 5 3 3 2 2 3 4 3 2 2 2 2 2 3 2 2 2 3 3 3 3 46 18 3 3 3 3 6 28 33 2 1 2 3 4 2 2 3 7 3 4 3 3 24 15 0 6 17 67 14 2 4 7 8 13 10 4 4 2 2 4 3 2 5 5 3 3 4 3 3 2 2 3 14 2 7 4 2 2 3 22 26 6 3 3 5 6 3 4 12 10 4 5 7 10 3 4 3 2 49 3 4 3 2 2 2 3 2 2 3 3 2 2 3 4 22 20 3 3 3 3 3 10 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 2 2 6 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 3 3 3 3 2 2 4 7 14 13 29 100 46 16 5 12 5 4 6 5 18 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 94 93 s 1H | 79 78 m 2H | 76 75 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCC1(c2ccc(Cl)cc2)OC(C)(C)OC1=O
ir: 2 2 2 3 4 10 10 15 9 3 3 21 2 8 3 2 3 2 2 4 8 12 7 61 19 24 6 2 7 3 3 2 7 4 2 2 7 9 2 6 2 2 2 4 2 2 2 2 3 13 6 2 8 45 40 13 12 6 4 8 3 4 3 3 2 3 4 2 2 12 5 3 3 3 11 10 11 10 26 11 6 2 3 3 3 3 5 2 6 3 2 2 12 2 3 3 6 4 5 6 14 24 10 17 4 3 3 5 0 39 7 3 4 3 3 2 3 10 4 10 4 4 2 3 8 5 34 13 13 4 2 3 2 2 3 2 2 2 2 2 2 3 4 3 20 28 8 40 26 3 4 3 3 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 15 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 3 2 2 3 3 3 3 3 5 8 25 9 18 34 18 6 5 7 4 3 3 3 2 2 3 3 3 2 3 17 100 20 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 74 m 2H | 74 74 m 2H | 36 36 dd 1H J 26 119 | 34 33 dd 1H J 25 118 | 26 25 t 1H J 25 | 17 16 s 3H | 16 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1c(=O)n(C)c(=O)c2c(OCCCO)c(Cc3cccnc3)sc21
ir: 6 6 5 8 7 6 8 22 25 7 14 12 6 4 4 6 8 2 2 4 4 5 5 4 5 5 4 4 11 3 5 7 5 31 15 7 4 5 6 8 4 6 10 6 4 4 5 7 5 3 3 4 8 48 48 11 21 2 6 6 9 0 13 20 5 2 5 7 4 6 20 10 5 3 4 5 3 3 12 6 4 4 6 5 5 4 10 9 15 60 14 14 15 18 9 5 5 12 16 6 6 3 4 4 3 3 5 6 3 6 9 12 39 16 6 9 5 9 5 6 6 8 15 14 7 10 6 8 10 8 6 6 5 5 9 11 3 4 6 23 12 6 17 5 4 4 3 3 3 3 3 7 6 11 12 25 3 6 14 9 100 8 4 0 2 5 3 0 3 5 2 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 3 4 4 6 4 4 3 7 7 5 6 4 8 7 9 10 10 20 9 9 29 13 9 5 6 7 12 40 67 7 11 8 5 3 4 3 4 3 2 4 5 3 3 4 4 2 2 3 3 3 2 3 4 2 3 4 4 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1; 1HNMR: 85 85 dq 1H J 10 20 | 84 84 ddd 1H J 13 20 42 | 75 74 dtt 1H J 9 19 75 | 72 72 dd 1H J 43 75 | 42 41 t 2H J 63 | 41 41 m 4H | 38 37 q 2H J 61 | 35 34 s 2H | 28 27 t 1H J 58 | 22 20 m 3H | 10 9 d 5H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)c1ccc(C)cc1C
ir: 2 4 12 10 13 8 9 8 9 9 6 3 1 3 19 15 2 0 0 1 1 0 0 1 1 1 15 2 1 1 1 1 2 4 1 1 2 1 1 3 3 1 1 1 2 1 1 3 24 16 13 14 18 6 7 1 2 0 7 22 1 1 2 3 15 4 24 43 3 4 3 15 27 16 9 19 13 100 60 13 1 5 11 15 2 1 3 11 3 1 2 2 8 27 32 5 4 2 2 3 4 1 1 1 0 0 1 1 0 1 1 1 1 3 8 1 0 5 6 3 1 2 2 1 7 6 4 6 3 2 5 7 1 1 1 0 0 1 1 0 3 10 2 1 1 1 1 1 5 25 9 2 1 2 3 0 1 1 1 0 2 43 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 3 2 1 1 0 1 1 0 1 2 1 2 3 8 25 8 23 36 24 5 2 1 1 1 1 1 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0; 1HNMR: 76 76 m 1H | 72 71 m 2H | 42 41 dq 4H J 69 85 | 24 24 s 3H | 23 22 m 2H | 13 13 td 6H J 7 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)c1cccc(N)c1
ir: 7 6 4 4 2 2 4 3 3 5 2 2 2 2 2 1 1 1 1 1 2 3 4 2 1 2 1 1 2 2 2 3 3 2 2 1 1 1 1 1 1 1 1 1 2 2 4 11 5 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 1 2 2 1 2 2 1 2 3 2 2 2 2 1 2 2 5 5 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 3 3 2 1 2 2 2 1 2 2 2 1 1 1 1 1 1 2 1 1 2 3 1 1 1 1 1 1 1 1 1 2 1 4 7 2 2 1 1 1 2 2 7 9 4 2 7 10 3 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 3 8 4 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 35 33 1 2 1 1 1 1 1 3 3 0 100 34 1 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 m 1H | 71 71 ddd 1H J 13 22 81 | 69 68 t 1H J 22 | 67 67 ddd 1H J 11 21 73 | 42 42 q 2H J 61 | 34 33 s 2H | 15 15 s 5H | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C#N)c(N2CCC(=CC#Cc3cccc(F)c3)CC2)n1
ir: 1 1 2 2 4 2 2 1 3 3 2 1 2 2 2 1 1 2 2 1 1 1 2 1 1 2 5 1 3 4 2 1 2 3 2 2 2 3 2 3 5 12 28 5 4 8 4 4 6 7 4 1 3 4 10 2 2 1 2 1 1 2 1 1 3 3 9 16 26 4 4 5 7 3 2 1 2 2 3 3 2 2 1 1 1 3 2 2 13 2 2 3 5 7 2 4 4 4 2 8 3 3 1 1 2 2 1 2 2 3 3 2 2 3 1 2 2 2 1 1 1 1 3 4 4 4 4 6 4 1 1 2 2 2 42 3 2 2 2 7 18 5 4 2 2 10 2 1 2 2 3 9 27 12 2 5 4 9 1 2 8 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 32 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 2 2 1 1 3 2 2 4 2 4 2 1 2 3 7 13 17 100 37 18 5 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 82 | 74 74 td 1H J 50 67 | 74 73 ddd 1H J 13 22 65 | 73 72 dt 1H J 21 121 | 72 71 dddd 1H J 13 22 68 103 | 71 70 dq 1H J 9 82 | 58 57 p 1H J 9 | 37 37 t 4H J 47 | 26 25 m 4H | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@H](NC(=O)OC(C)(C)C)c1ccnc(-c2c(NC(=O)[C@H](C)C=C)cnn2C(F)F)c1
ir: 8 9 2 9 7 11 8 6 9 4 6 5 7 18 9 13 17 5 3 6 8 8 11 9 17 13 12 13 21 42 54 62 18 19 11 22 8 15 15 16 5 2 3 5 4 3 4 9 6 20 12 27 68 9 7 8 9 1 7 33 23 3 6 7 19 4 12 11 6 19 12 33 25 100 18 10 15 18 8 7 4 1 5 7 4 2 5 4 2 3 19 12 4 10 14 17 5 5 17 23 2 3 6 8 13 6 7 6 4 7 16 8 7 4 15 10 9 6 10 20 10 11 9 4 2 6 11 22 10 12 19 9 13 43 27 6 12 11 33 3 17 9 22 22 47 17 37 37 19 91 37 7 11 9 5 5 2 6 7 4 27 12 26 9 5 5 3 0 2 5 3 0 3 5 3 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 4 1 1 3 3 1 2 4 3 1 2 4 4 2 3 5 4 2 3 6 3 2 4 7 16 15 6 29 17 12 14 19 32 12 12 11 9 14 9 10 5 4 3 4 3 3 4 4 3 3 8 9 6 14 38 38 40 27 12 7 3 3 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 87 86 d 1H J 43 | 84 84 s 1H | 78 78 dd 1H J 6 21 | 76 75 d 1H J 126 | 73 73 m 1H | 60 59 m 1H | 58 56 m 2H | 54 53 dt 1H J 24 168 | 53 52 dt 1H J 24 114 | 51 51 ddt 1H J 12 24 163 | 51 50 m 1H | 49 48 m 1H | 34 33 dqt 1H J 24 68 92 | 28 27 dddt 1H J 14 64 79 157 | 26 25 dddt 1H J 13 64 79 154 | 14 14 s 8H | 13 12 dd 3H J 9 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cn(C)c2ccccc12)C(=O)/C=C/c1cnc2c(c1)CC(N)C(=O)N2
ir: 8 3 4 3 2 3 3 5 1 3 7 2 3 2 7 5 6 6 3 6 6 8 26 7 2 2 3 3 4 3 7 1 3 7 29 13 100 56 65 11 7 6 34 14 18 2 4 11 8 9 6 5 2 2 3 5 6 4 22 71 30 10 12 14 6 20 7 16 14 30 31 8 10 12 35 15 6 7 9 17 11 5 39 7 4 4 4 12 13 5 2 2 3 2 1 2 2 3 6 9 9 6 15 4 10 3 5 6 5 7 3 5 4 2 1 3 3 4 2 15 14 27 15 9 12 6 16 7 10 10 5 3 30 92 28 25 14 25 10 19 4 2 3 3 6 11 15 11 51 8 8 5 15 29 44 36 7 4 3 14 11 2 2 2 2 3 2 4 27 3 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 3 2 1 1 3 3 3 3 4 3 3 4 5 5 2 8 11 19 25 24 4 14 8 4 3 2 2 2 2 4 5 7 9 10 16 5 5 2 0 9 82 32 69 15 9 21 8 2 2 4 3 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 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; 1HNMR: 90 89 s 1H | 84 84 d 1H J 18 | 78 77 m 2H | 77 76 d 1H J 159 | 73 73 dd 1H J 13 82 | 73 72 ddd 1H J 12 71 84 | 72 71 td 1H J 10 71 | 70 70 s 1H | 66 65 d 1H J 159 | 45 45 d 2H J 7 | 42 41 p 1H J 57 | 37 37 m 5H | 33 32 ddd 1H J 7 59 176 | 31 30 s 3H | 30 29 ddd 1H J 8 59 178
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=C(C(N)=O)[C@H]2CC[C@H](C)CC2)ccc1OCCn1cnc2ccccc21
ir: 0 4 3 1 0 0 1 1 1 2 3 3 3 1 1 4 7 5 9 5 7 8 4 4 4 5 1 1 2 1 1 0 1 1 1 0 1 1 3 3 8 9 16 7 4 1 1 1 1 1 1 1 4 1 9 1 1 2 1 1 0 1 1 1 1 3 1 2 7 16 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 6 2 2 2 1 0 2 1 1 2 8 6 2 3 3 6 4 1 1 3 3 1 1 2 1 1 1 3 1 1 2 5 4 4 5 3 5 1 1 1 1 0 1 1 0 0 1 1 1 4 13 3 1 3 6 5 12 2 6 17 3 9 2 2 4 1 2 8 1 13 12 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 7 13 10 17 7 8 3 2 0 0 1 0 0 0 0 1 0 0 0 0 1 4 1 1 1 0 0 0 0 0 0 0 1 10 100 4 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 t 1H J 9 | 78 78 dd 1H J 16 64 | 75 74 dd 1H J 17 71 | 74 73 m 2H | 71 71 d 1H J 18 | 70 69 dd 1H J 18 88 | 69 68 d 1H J 89 | 68 67 s 2H | 67 66 d 1H J 18 | 45 44 ddd 2H J 9 40 47 | 44 44 t 2H J 41 | 39 39 s 2H | 27 26 ttd 1H J 18 50 77 | 18 17 m 4H | 16 14 m 3H | 14 13 dddd 2H J 57 69 82 132 | 10 9 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(O)c2cccc(C3CC3)c2n1
ir: 1 2 3 2 1 2 2 2 2 2 3 4 6 11 13 5 8 9 5 6 7 10 36 18 5 3 10 3 2 3 2 2 2 3 2 2 4 5 4 2 4 3 2 1 3 27 24 4 2 2 2 2 2 2 3 3 6 5 2 1 2 3 2 0 4 11 53 10 2 2 2 3 3 2 3 4 5 6 67 48 9 48 27 9 4 14 14 10 5 4 3 3 2 2 2 2 2 3 3 3 2 2 1 2 2 2 2 2 4 5 8 2 2 2 4 4 2 2 10 14 1 2 2 2 1 2 2 2 2 2 2 2 2 2 4 6 2 2 2 2 2 2 3 6 11 6 3 5 7 6 5 3 2 2 2 2 2 3 2 3 3 3 4 15 11 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 3 4 9 13 19 11 4 3 3 4 12 100 72 10 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 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 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 1 2 2 2 1 2 2; 1HNMR: 81 81 dd 1H J 14 86 | 75 75 m 1H | 75 74 t 1H J 87 | 68 68 s 1H | 34 33 m 1H | 12 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc2c(cn1)CN(c1ccc(F)c(N)c1)C(=O)N2C(C)(C)C
ir: 26 24 26 9 13 5 5 3 11 8 2 3 3 2 1 3 5 3 4 5 6 8 12 11 3 3 1 1 2 2 1 7 12 4 11 11 6 3 7 11 7 8 6 3 3 0 1 2 5 1 1 2 6 4 9 9 1 1 3 3 2 2 4 2 4 6 10 22 8 12 3 4 9 4 2 1 2 3 13 7 3 1 1 3 1 1 1 2 2 3 2 2 1 6 4 3 5 15 2 4 5 2 1 0 1 1 1 1 1 3 1 1 0 1 2 1 0 3 5 4 2 3 2 5 6 5 4 3 2 3 2 1 1 1 8 28 3 3 14 2 2 16 55 25 13 1 1 13 17 38 4 2 6 26 9 6 7 49 6 3 2 3 49 83 3 2 1 0 1 0 1 1 1 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 1 1 1 1 0 0 1 0 0 0 1 1 1 2 1 1 1 2 1 1 1 1 1 3 2 3 17 8 11 12 11 9 1 2 1 1 3 2 4 1 1 1 0 2 1 1 1 4 100 8 4 6 8 27 14 24 3 4 5 28 82 7 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 10 | 71 70 dd 1H J 86 101 | 69 69 s 1H | 68 68 ddd 1H J 22 36 86 | 67 66 dd 1H J 21 31 | 59 59 q 1H J 47 | 52 51 d 2H J 9 | 39 38 d 2H J 35 | 30 29 d 3H J 48 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc(-c2cnc(N)c(OCC3CCN(c4nc(Cl)nc(OC[C@H]5C[C@H]5C#N)n4)CC3)c2)c1
ir: 3 3 3 4 1 2 2 3 2 6 3 2 1 4 2 2 1 2 2 1 3 2 2 1 2 3 3 3 5 2 3 3 2 6 3 2 7 6 6 13 10 12 7 5 4 2 2 3 5 4 2 1 1 2 1 3 3 3 3 6 3 5 3 5 7 8 3 1 1 1 4 5 3 2 4 2 4 2 6 11 5 3 4 1 4 2 3 3 2 4 1 2 2 2 3 7 10 3 3 7 5 8 9 7 12 22 12 11 8 7 1 4 4 8 4 6 5 4 5 12 5 12 17 11 7 5 3 2 2 4 2 2 2 1 2 1 1 1 1 2 4 2 4 8 4 2 3 7 9 3 2 4 5 22 2 1 1 2 4 7 2 8 14 10 1 4 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 5 6 10 5 5 4 2 8 4 6 7 13 27 11 20 29 20 100 10 7 4 3 1 1 2 2 1 1 1 1 1 1 1 2 11 1 1 1 1 0 1 1 0 0 1 3 19 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 d 1H J 16 | 77 77 q 1H J 10 | 76 75 d 1H J 17 | 74 74 d 1H J 18 | 60 60 s 2H | 44 43 dd 1H J 70 135 | 41 41 dd 1H J 69 135 | 41 40 d 2H J 49 | 38 37 m 5H | 36 35 ddd 2H J 65 92 154 | 25 25 ddd 1H J 51 60 68 | 23 22 m 2H | 21 20 tt 1H J 50 59 | 20 19 dddd 2H J 58 65 91 124 | 19 18 m 1H | 17 16 td 1H J 61 73 | 15 14 ddd 1H J 51 64 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3CCS2)CC1
ir: 4 5 8 6 3 5 6 5 5 5 16 5 5 5 4 5 5 5 4 6 8 5 4 6 10 48 36 100 26 7 6 6 5 5 5 5 5 4 4 4 5 4 4 8 5 5 8 11 14 15 8 3 4 5 4 4 5 7 5 4 4 5 5 6 4 6 6 10 6 7 5 6 4 3 12 30 94 13 7 7 21 8 8 5 11 14 4 4 5 5 4 3 5 5 3 6 5 9 9 10 8 9 5 13 6 5 4 5 5 6 3 4 5 4 4 5 5 5 5 4 6 4 3 4 7 5 4 6 9 5 10 7 7 4 6 6 5 4 16 5 5 4 11 5 5 8 4 6 5 2 18 4 4 3 5 14 5 0 3 22 98 11 5 2 3 8 4 3 4 5 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 5 6 5 6 5 4 3 4 4 4 5 12 4 5 13 10 5 4 3 4 5 4 2 6 19 41 13 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 81 80 d 1H J 121 | 74 74 d 1H J 43 | 41 40 t 2H J 46 | 34 31 m 9H | 30 30 m 2H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=NO)Nc1cccc(Br)c1F
ir: 1 2 2 5 11 28 29 32 8 8 2 2 11 3 1 3 1 1 2 3 0 14 3 2 3 1 2 1 1 4 2 15 7 11 3 3 2 3 4 3 8 1 2 3 7 3 7 34 12 4 2 2 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 4 12 6 1 0 0 1 1 1 0 0 1 1 1 1 1 1 2 1 2 1 1 2 1 51 12 1 1 1 1 2 1 1 1 1 12 5 2 5 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 10 2 9 1 1 2 1 1 23 12 1 1 0 0 0 1 1 2 45 4 3 2 5 3 2 1 21 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 1 2 5 15 6 4 2 1 1 14 0 100 42 6 8 2 2 1 1 1 1 0 2 2 2 3 5 14 39 3 6 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 2 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; 1HNMR: 93 93 d 1H J 26 | 77 76 ddd 1H J 11 37 90 | 74 74 ddd 1H J 13 38 90 | 72 71 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2C)cc1
ir: 3 2 5 3 4 3 11 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 0 0 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 1 4 1 1 0 1 1 2 1 1 1 2 1 0 1 4 1 1 1 1 2 3 2 1 1 0 1 1 0 0 1 1 2 15 8 12 6 2 2 1 2 3 2 1 1 1 1 0 1 0 1 1 0 0 1 0 1 0 1 0 1 1 0 0 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 2 1 1 0 1 2 4 100 4 2 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dt 2H J 8 78 | 71 70 dt 2H J 9 78 | 48 48 d 1H J 55 | 47 47 m 2H | 45 45 d 1H J 60 | 44 43 d 1H J 57 | 40 40 d 2H J 9 | 40 38 m 2H | 39 39 s 3H | 37 35 m 4H | 27 26 qt 2H J 9 73 | 23 22 s 2H | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cn1cncn1)C(=O)O
ir: 3 2 3 3 1 1 1 2 5 2 1 2 1 1 1 3 1 1 2 2 1 0 0 1 0 1 1 0 0 1 1 3 5 10 3 1 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 0 1 4 4 2 1 1 1 2 2 2 5 5 2 0 1 1 1 0 1 1 0 1 3 17 15 4 1 1 2 1 1 1 4 5 1 3 4 4 6 10 3 6 9 2 0 1 1 1 1 1 1 2 2 1 1 3 4 5 10 4 2 2 1 1 2 1 1 4 3 1 1 1 2 1 1 0 1 1 1 1 3 6 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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 1 1 1 1 1 0 1 1 4 2 2 1 1 1 1 2 1 2 2 3 9 2 8 14 5 3 3 5 100 21 6 2 2 2 21 93 5 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 81 81 dt 1H J 9 16 | 78 78 d 1H J 16 | 44 43 ddd 1H J 8 60 137 | 41 41 ddd 1H J 8 60 137 | 32 31 qt 1H J 60 77 | 13 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1ccc(OCC2CCCCC2)cc1
ir: 3 2 1 3 4 2 0 3 5 4 2 12 10 5 3 4 3 2 0 2 3 3 0 2 3 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 3 2 2 4 2 0 1 4 8 7 8 11 23 39 21 9 10 1 12 9 3 1 2 3 2 1 3 10 4 5 2 3 1 0 2 3 1 1 3 3 1 1 2 3 1 2 25 10 3 1 2 3 1 2 3 3 4 5 5 4 0 2 4 5 4 5 13 4 4 2 6 17 13 7 11 7 3 5 4 3 1 4 4 2 3 5 8 4 1 3 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 3 11 17 26 6 4 4 11 5 3 1 2 2 2 0 1 10 4 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 4 6 4 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 2 2 1 1 3 3 3 5 8 2 6 4 6 3 2 4 12 7 6 100 49 17 3 3 3 3 2 3 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 72 dq 2H J 9 81 | 69 68 m 2H | 40 39 d 2H J 51 | 38 38 t 2H J 8 | 20 18 pt 1H J 51 65 | 17 15 m 4H | 15 13 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](C)Oc1ccc(N)cc1
ir: 6 15 5 6 8 13 6 3 10 3 5 1 5 2 3 4 4 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 40 9 9 3 3 3 2 1 1 1 1 0 1 1 1 4 3 1 1 1 2 2 2 4 2 5 3 2 1 1 1 1 1 2 3 2 3 1 1 1 1 0 0 0 1 0 1 0 1 1 0 1 7 2 1 1 2 1 1 1 1 1 1 1 2 1 0 1 0 1 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 0 0 1 0 0 0 1 1 3 2 1 1 2 9 5 14 22 100 34 5 1 1 1 1 26 2 2 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 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 5 2 3 8 9 6 2 3 1 1 1 0 0 1 0 0 0 0 0 1 1 1 11 13 1 0 0 0 1 1 2 2 3 26 42 43 11 3 3 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 68 67 m 2H | 66 65 m 2H | 42 41 dtq 1H J 15 48 63 | 37 37 s 2H | 18 17 dqd 1H J 48 80 128 | 16 15 dqd 1H J 48 80 128 | 13 12 d 3H J 64 | 10 9 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/C(F)(F)C(F)(F)COC/C=C/c1ccccc1
ir: 3 4 5 14 14 7 8 23 29 27 12 6 6 3 5 9 4 7 12 11 6 2 2 1 1 1 3 2 4 7 19 3 4 2 2 1 1 2 2 9 69 16 7 1 2 4 3 1 2 2 2 0 5 4 2 1 2 3 5 4 2 4 1 5 2 5 3 3 6 14 7 5 11 25 20 85 32 38 10 5 12 17 39 100 18 1 6 11 6 2 15 6 7 5 4 3 5 8 5 10 35 19 11 5 4 8 11 8 3 4 10 3 2 6 4 3 4 4 6 6 26 4 10 2 5 4 7 10 24 63 39 43 65 64 26 21 24 6 4 9 8 10 16 19 23 29 76 24 8 0 2 4 6 2 2 2 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 2 2 5 4 5 0 7 11 9 11 31 13 49 75 79 96 58 9 10 4 2 3 1 1 2 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 0 1 1; 1HNMR: 74 73 m 4H | 73 72 m 1H | 71 70 dtt 1H J 31 70 180 | 66 65 ddq 1H J 7 13 152 | 63 61 m 2H | 44 43 dd 2H J 14 36 | 42 41 q 2H J 60 | 40 39 tt 2H J 27 130 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1(c2ncc(Br)cc2Cl)CC1)c1c(F)cccc1F
ir: 7 2 4 3 1 2 5 2 3 3 3 1 1 3 3 5 4 3 3 3 1 2 4 9 3 3 9 2 3 3 23 22 23 8 5 14 7 5 6 17 12 19 23 2 14 40 100 33 10 13 7 4 2 3 3 4 3 4 2 0 2 3 1 0 3 9 32 1 3 5 6 1 2 5 4 0 2 5 2 2 4 32 3 3 2 2 1 4 3 7 2 9 6 6 1 1 3 2 1 1 3 3 2 2 4 11 1 3 13 7 1 2 5 7 9 2 3 3 2 7 4 2 1 2 3 4 2 11 10 6 2 5 6 4 8 55 4 3 7 6 7 2 8 19 7 2 14 23 38 6 12 15 24 5 3 5 38 14 4 3 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 6 5 5 6 7 11 22 27 25 11 3 12 5 3 1 2 3 2 1 2 2 1 1 2 3 2 2 4 14 11 52 11 11 2 5 3 3 1 2 4 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2 1 1 1 2; 1HNMR: 83 83 d 1H J 16 | 80 80 t 1H J 53 | 78 77 d 1H J 18 | 76 75 tt 1H J 52 79 | 72 71 m 2H | 38 37 d 2H J 53 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CN2C(c3ncccc3C)CCCC2c2ncccc2C)c(N)c1
ir: 1 8 7 2 3 3 11 3 3 2 1 2 2 6 4 2 3 2 2 3 4 3 5 6 8 8 7 4 3 3 1 2 1 1 1 1 2 2 21 19 10 2 3 1 1 1 3 2 5 2 2 3 2 3 3 1 7 2 1 2 2 7 3 1 1 1 3 12 7 4 4 4 3 2 3 3 2 5 2 1 2 2 12 4 16 5 4 1 1 1 1 4 2 2 2 1 3 1 1 2 6 2 1 1 2 2 1 2 1 1 1 1 1 4 2 7 4 3 1 7 6 3 2 7 4 5 6 6 5 3 5 2 1 1 1 2 1 4 7 2 2 2 5 17 1 2 17 6 2 2 3 59 25 19 11 9 5 25 1 2 1 1 1 6 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 3 5 6 4 27 22 6 2 2 1 1 1 1 1 1 1 0 1 1 1 0 2 9 42 3 0 0 1 1 0 1 3 3 7 100 8 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 2H J 21 43 | 77 76 m 3H | 73 73 d 1H J 22 | 73 73 dt 1H J 9 87 | 72 72 dd 2H J 43 80 | 46 45 s 2H | 42 42 t 2H J 53 | 41 40 dd 1H J 10 143 | 39 38 m 3H | 23 23 d 6H J 7 | 23 22 dddd 2H J 54 61 88 142 | 20 18 m 3H | 18 17 dtt 1H J 61 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCc1c(C)nc2c(NCc3c(C)cccc3NC(=O)OC(C)(C)C)cccn12
ir: 9 6 5 7 3 6 5 5 2 5 5 3 6 5 3 9 12 16 5 10 4 9 3 6 2 2 2 16 7 12 6 2 4 6 16 7 9 17 9 10 12 11 10 2 4 7 32 94 15 12 5 1 3 5 3 1 2 4 2 1 1 4 2 0 1 3 6 1 1 3 4 3 5 5 2 3 13 15 11 3 5 2 2 1 2 1 0 0 1 1 1 3 4 4 1 2 3 3 2 2 1 1 5 3 3 2 1 2 11 14 13 2 4 2 4 4 4 13 8 7 7 7 3 1 2 2 4 3 2 3 8 10 8 3 1 5 2 3 7 8 28 3 4 29 33 3 1 5 18 36 36 32 20 0 1 2 2 41 5 14 19 3 1 2 1 0 0 1 0 0 0 1 0 0 0 1 5 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 2 1 1 1 2 1 1 1 1 2 2 2 3 3 16 5 4 35 23 23 7 5 3 3 1 1 1 2 2 0 1 2 2 3 6 2 3 2 7 10 12 16 100 64 63 14 3 2 1 1 1 0 1 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 dd 1H J 14 80 | 75 74 m 2H | 73 72 dd 1H J 14 81 | 72 71 dt 2H J 79 114 | 69 69 m 1H | 69 69 s 1H | 49 48 d 2H J 57 | 42 41 d 2H J 26 | 24 24 s 3H | 23 23 d 3H J 8 | 22 22 t 1H J 25 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1Oc1cc(-c3cccnc3)ccc1N2C1CCN(C(=O)OC(C)(C)C)CC1
ir: 4 5 2 10 18 8 7 6 2 11 13 14 13 6 2 4 2 7 5 3 4 2 1 6 12 2 3 5 2 3 2 7 6 24 8 6 3 15 4 13 10 4 2 2 1 3 3 18 25 0 2 13 2 2 9 9 18 22 9 2 5 5 5 14 6 9 5 21 7 3 4 5 2 3 4 3 5 10 9 3 2 2 3 2 1 2 6 1 0 1 3 2 1 1 5 18 0 4 2 3 1 1 2 1 3 4 3 2 2 3 10 19 44 10 2 7 4 10 26 20 9 9 16 9 12 6 9 8 11 11 9 12 3 3 5 4 10 11 36 44 19 10 4 1 0 3 2 0 3 7 11 100 26 8 9 4 2 7 7 10 8 2 2 2 10 2 1 1 1 0 1 0 0 1 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 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 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 4 3 3 3 3 3 2 2 3 2 6 7 16 25 15 21 57 27 30 10 4 6 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 88 d 1H J 19 | 87 86 dd 1H J 16 48 | 79 79 dt 1H J 18 75 | 75 74 dd 1H J 17 80 | 74 73 dd 1H J 47 76 | 72 71 m 2H | 70 70 m 1H | 69 68 dd 1H J 13 77 | 68 68 dd 1H J 11 82 | 43 42 p 1H J 57 | 39 38 s 2H | 38 37 ddd 2H J 52 79 123 | 34 33 ddd 2H J 51 79 123 | 23 22 ddt 2H J 53 79 119 | 20 19 ddt 2H J 54 79 117 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(C#N)c1
ir: 21 19 21 51 57 9 3 10 14 7 35 61 63 5 2 8 11 5 3 9 11 4 3 11 12 4 3 10 11 4 4 12 11 4 8 19 10 4 5 11 8 2 5 11 8 2 7 17 25 14 6 12 8 1 6 12 7 1 8 13 6 1 7 12 6 2 9 12 10 5 11 14 8 3 10 11 4 2 9 11 6 5 10 10 4 4 9 9 3 4 10 20 5 7 10 8 3 5 10 8 3 6 11 8 6 11 17 35 0 6 12 7 1 6 13 6 1 7 12 6 2 11 18 20 20 16 13 8 4 9 11 5 3 9 11 4 3 10 12 5 25 48 100 62 20 12 11 6 6 10 8 5 19 13 32 17 7 10 8 8 92 34 18 5 7 11 7 1 6 11 7 1 7 12 6 2 7 11 6 2 7 11 6 5 8 10 5 3 8 10 5 3 8 10 4 4 9 9 4 4 9 9 4 4 9 8 3 5 10 8 3 5 10 8 3 5 10 7 2 6 11 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 10 6 2 7 10 5 3 8 10 5 3 8 9 5 3 8 9 5 4 9 9 5 5 9 9 4 5 10 8 4 6 10 8 3 5 10 8 3 6 10 7 3 6 11 7 2 6 13 8 10 20 29 36 13 10 11 9 6 9 11 6 4 8 10 6 3 8 10 6 4 14 20 38 51 41 42 32 78 42 14 8 5 9 8 5 5 9 8 4 6 10 8 6 8 10 8 4 6 10 7 3 6 10 7 3 6 10 6 3 7 10 6 3 7 9 6 3 7 9 6 4 7 9 6 5 8 9 5 4 8 8 5 5 8 8 5 5 8 8 4 5 9 8 4 5 9 7 4 6 9 7 4 6 9 7 4 6 9 7 3 6 10 6 3; 1HNMR: 74 74 ddd 1H J 12 22 62 | 73 73 dd 1H J 63 71 | 71 71 t 1H J 22 | 68 67 ddd 1H J 11 21 69 | 47 47 q 1H J 47 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CBr)c1ccccc1
ir: 2 1 1 1 2 1 1 2 2 2 2 5 4 3 1 2 2 1 1 2 3 2 2 2 2 1 1 2 3 4 7 16 6 4 2 6 11 3 2 4 7 13 12 4 3 2 2 2 2 1 1 2 2 1 1 2 3 1 1 2 1 1 2 2 2 1 3 7 10 7 11 7 6 1 2 3 2 4 4 4 2 2 2 2 1 1 2 2 2 3 12 6 3 2 2 2 9 5 3 2 2 4 3 3 1 1 2 2 2 4 5 5 2 2 5 4 1 5 4 2 1 3 3 2 1 2 2 2 2 3 3 1 1 3 13 11 10 3 2 2 2 4 23 58 35 7 16 4 2 3 2 5 5 4 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 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 2 3 2 2 1 2 3 3 2 3 4 3 3 2 14 18 0 30 100 25 11 10 4 3 2 3 2 2 3 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 m 3H | 72 72 m 2H | 36 35 dd 1H J 39 109 | 34 33 dd 1H J 38 108 | 33 32 m 1H | 14 14 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2nc3ccc(N4CCCCC4)cc3c(=O)[nH]2)c1
ir: 1 1 2 2 2 3 3 2 3 2 3 2 1 3 1 2 6 4 3 3 2 3 3 2 4 20 8 4 1 2 4 11 4 2 2 5 3 2 2 6 50 6 2 1 4 9 100 17 23 3 6 2 3 4 20 8 18 4 12 3 1 4 3 2 2 4 6 3 7 8 2 2 8 3 2 2 2 1 3 2 2 2 10 2 2 6 3 2 1 2 1 2 1 1 1 3 4 2 2 4 2 1 2 2 1 1 1 2 2 2 5 3 7 13 4 2 3 2 2 1 3 3 3 2 5 2 4 3 1 2 2 1 3 2 4 13 5 2 5 3 5 18 43 6 4 31 2 1 1 3 6 31 9 9 22 4 8 6 3 22 29 4 3 19 2 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 2 2 2 2 17 18 3 14 61 35 11 3 0 1 2 1 0 1 1 1 1 1 2 2 1 5 2 1 1 3 3 8 35 16 15 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 78 77 ddd 1H J 9 22 75 | 75 75 d 1H J 21 | 75 74 d 1H J 82 | 73 73 m 1H | 70 69 ddd 1H J 9 16 79 | 69 68 m 2H | 38 38 s 3H | 34 34 m 4H | 17 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(CO)cc2s1
ir: 2 3 2 2 4 17 17 2 1 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 5 2 2 2 2 2 2 3 3 2 2 2 2 3 3 2 2 2 2 2 3 8 6 3 2 1 3 4 3 0 26 35 2 2 2 2 2 2 5 3 2 2 2 5 8 2 5 7 4 2 3 3 2 2 3 4 3 5 9 6 10 18 51 34 14 6 2 2 4 5 1 2 3 4 1 2 2 2 1 2 2 3 2 2 3 2 2 2 2 2 1 3 2 2 2 2 4 4 4 8 6 6 5 4 2 2 1 2 2 3 28 2 2 2 2 2 2 2 2 9 4 1 2 2 2 3 11 3 4 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 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 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 3 2 2 2 2 3 2 2 4 6 3 4 3 3 2 3 3 6 25 12 5 3 4 3 4 6 100 41 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 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; 1HNMR: 77 77 m 1H | 77 76 d 1H J 77 | 73 72 ddt 1H J 9 20 78 | 47 47 dt 2H J 9 57 | 27 27 s 3H | 25 24 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(Br)c2ccc(S(=O)(=O)Cl)cc21
ir: 17 13 9 15 15 7 0 10 29 35 7 11 15 8 4 11 18 12 4 12 15 25 11 41 26 6 4 11 12 5 5 11 11 5 13 26 11 4 5 13 12 3 6 13 10 3 11 15 10 2 7 14 10 2 59 21 9 2 8 13 8 6 14 28 80 0 16 32 8 4 11 15 6 4 11 18 10 4 12 14 6 10 29 100 36 47 14 13 5 6 13 20 6 5 12 10 4 7 13 19 13 12 19 11 4 14 19 9 2 8 14 9 1 7 15 8 1 9 14 9 4 29 22 13 7 19 18 7 3 12 13 6 4 10 12 5 4 10 11 5 4 11 11 6 9 17 11 4 5 11 12 8 11 14 10 3 6 12 9 3 6 13 9 3 7 13 8 2 7 13 8 2 8 13 7 2 8 13 7 3 9 13 7 3 9 12 6 3 9 11 6 4 10 11 5 4 10 11 5 5 10 10 5 5 11 10 4 5 11 9 4 6 12 9 3 6 12 9 3 7 12 8 3 7 13 8 2 7 13 7 2 8 13 7 3 8 12 7 3 9 12 6 3 9 11 6 4 9 11 6 4 10 11 5 5 10 10 5 5 10 10 5 5 11 9 4 6 11 9 4 6 13 9 3 7 12 9 3 7 13 9 3 8 15 9 6 38 52 17 14 49 24 8 4 8 12 7 5 9 11 7 5 10 11 6 5 9 10 6 5 10 10 5 5 10 10 5 6 10 9 5 6 10 9 5 6 11 9 4 7 11 8 4 7 11 8 4 7 12 8 3 7 12 7 3 8 12 7 4 8 11 7 4 8 11 7 4 9 11 6 5 9 10 6 5 9 10 6 5 10 10 5 6 10 9 5 6 10 9 5 6 10 9 5 6 11 8 4 7 11 8 4 7 11 8 4 7 11 8 4; 1HNMR: 82 82 d 1H J 82 | 80 80 d 1H J 20 | 80 79 dd 1H J 22 82 | 75 75 s 1H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(Cl)nccc2c1
ir: 0 4 7 4 1 4 6 3 2 4 6 3 1 4 7 4 3 6 9 20 19 9 8 3 1 12 28 14 4 10 10 3 3 6 5 1 2 6 5 1 2 7 8 10 3 6 4 1 23 10 5 1 3 7 4 10 19 14 5 1 4 7 4 1 5 8 9 5 7 6 7 7 7 6 12 24 21 9 6 2 5 5 2 2 5 5 2 2 6 8 4 3 6 6 4 4 6 5 2 3 12 9 2 3 6 4 2 3 7 21 16 6 8 4 0 4 7 5 31 58 5 4 2 5 9 5 2 5 6 3 2 6 7 8 28 33 7 3 2 5 5 3 4 8 8 2 3 6 6 2 2 6 6 4 14 26 14 24 3 6 4 2 3 6 4 2 9 19 13 0 4 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 5 2 4 5 4 4 7 5 25 100 25 14 9 1 4 7 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5; 1HNMR: 84 83 d 1H J 44 | 80 80 d 1H J 91 | 76 75 dd 1H J 22 44 | 73 73 dd 1H J 21 27 | 69 69 dd 1H J 25 91 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1
ir: 0 0 1 1 1 2 3 1 1 2 4 5 1 1 1 1 2 1 1 1 1 2 2 2 1 1 2 2 2 4 4 3 2 4 3 5 8 17 12 12 10 7 8 3 6 1 7 3 1 2 4 2 4 10 7 3 6 4 2 2 1 1 1 1 3 4 7 7 11 6 3 3 2 3 3 1 1 1 2 1 1 1 1 2 4 2 2 1 2 6 5 2 1 1 1 4 3 1 1 1 1 2 1 2 2 4 1 1 1 1 0 0 1 1 1 1 2 1 1 1 0 1 2 1 2 2 1 1 0 2 2 4 7 2 2 1 0 1 1 1 5 5 1 2 3 4 18 23 17 8 3 100 34 6 3 1 3 3 8 1 1 7 1 0 0 0 1 0 4 7 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 1 0 0 1 0 0 0 1 1 1 2 3 2 3 2 10 20 21 24 8 4 3 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 3 2 7 12 12 21 15 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 88 88 d 1H J 16 | 81 81 m 2H | 81 80 m 1H | 80 79 d 1H J 25 | 75 75 m 1H | 72 71 m 1H | 71 71 dq 1H J 10 84 | 24 23 m 7H | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=NN(CC(F)(F)F)C(=O)CC1
ir: 11 6 10 9 11 17 12 12 11 6 7 6 18 5 1 4 4 2 8 3 5 2 1 2 2 1 4 6 7 7 1 1 4 3 6 12 16 1 6 3 5 3 7 10 4 4 7 2 2 4 4 5 3 2 3 3 3 2 2 4 2 2 1 3 1 1 2 2 1 0 1 3 3 1 3 2 1 2 2 1 8 100 22 6 1 1 2 2 2 3 9 13 4 3 2 2 1 1 2 3 19 12 10 6 3 17 14 7 12 20 9 27 11 15 15 15 6 14 6 15 3 7 18 17 10 16 9 11 12 6 7 3 17 27 28 9 12 47 22 7 2 3 3 1 1 2 3 2 9 11 18 6 1 3 4 47 2 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 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 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 2 2 1 1 4 3 4 10 7 10 4 3 2 3 2 7 10 14 6 7 5 2 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 46 45 q 2H J 128 | 43 42 q 2H J 71 | 28 27 m 4H | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1(O)c2cc(Br)ccc2Oc2cnc(Cl)cc21
ir: 5 4 9 5 1 2 1 8 7 2 1 1 1 1 1 1 2 2 7 7 1 2 11 10 3 7 10 2 3 2 1 2 1 1 1 5 2 10 2 1 1 1 1 1 1 1 1 0 1 2 1 0 19 44 17 5 1 2 1 2 1 0 2 6 1 2 7 30 100 9 6 3 1 2 2 11 2 0 1 1 2 21 5 10 31 12 4 9 3 3 1 1 0 1 1 1 0 1 6 1 2 9 0 1 1 10 2 1 1 1 23 22 4 2 2 3 2 2 3 24 8 7 8 8 3 5 26 4 3 3 10 5 33 5 1 1 1 1 1 1 1 48 5 14 10 68 19 6 2 3 5 2 6 1 1 1 0 2 3 36 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 6 2 2 1 1 3 1 3 15 6 23 47 24 13 4 2 1 1 1 12 10 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H | 75 75 dd 1H J 22 82 | 75 74 d 1H J 22 | 73 73 s 1H | 70 69 d 1H J 82 | 58 57 s 1H | 41 41 q 2H J 65 | 32 31 s 1H | 30 29 s 1H | 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.
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(NC(N)=O)(C3CC3)C3CC3)nc2)c1
ir: 5 1 1 2 6 1 1 1 1 4 5 4 2 4 7 6 7 6 10 30 5 4 10 3 4 2 2 4 12 3 5 2 2 2 5 1 9 32 48 19 22 7 2 7 6 5 4 3 2 3 2 2 5 18 16 16 42 30 6 0 1 4 16 3 4 5 2 6 15 22 32 18 24 14 1 2 13 1 1 4 1 1 1 1 1 3 1 6 7 5 1 1 2 4 6 3 4 6 23 8 10 16 4 9 8 9 3 2 1 1 1 1 2 2 6 13 5 4 6 3 0 2 1 2 2 2 2 2 3 4 4 3 1 1 2 2 2 13 1 2 1 2 11 47 10 2 5 6 6 100 16 13 38 23 2 6 7 4 17 8 1 3 4 28 15 13 4 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 2 2 1 12 4 3 2 6 12 13 30 4 6 6 4 3 2 1 3 2 1 1 1 1 1 1 25 3 3 2 4 2 4 19 18 47 10 3 3 24 29 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 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 1 1 1 1 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; 1HNMR: 86 86 d 1H J 20 | 86 85 d 1H J 37 | 83 83 s 1H | 77 76 m 2H | 76 75 t 1H J 24 | 75 74 d 1H J 85 | 74 73 dq 1H J 17 35 | 73 73 t 1H J 25 | 68 68 s 1H | 58 57 s 2H | 26 25 p 2H J 65 | 23 23 s 3H | 16 15 m 4H | 13 12 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCNC(=O)C2(c3ccccn3)CCC2)cc1
ir: 1 3 6 15 2 2 2 3 2 5 3 2 2 2 3 1 1 2 1 3 1 3 2 2 2 3 3 5 4 16 6 11 16 13 6 17 25 60 11 6 15 25 12 7 5 7 3 2 1 2 2 1 6 15 55 13 11 6 6 4 5 8 8 9 6 5 7 3 3 21 15 6 3 3 2 2 10 3 2 1 2 2 3 3 3 2 2 4 9 2 1 1 2 2 2 3 5 18 10 20 5 6 3 10 4 4 2 2 4 4 5 3 3 2 1 1 2 1 1 4 5 4 4 7 4 3 3 5 3 6 10 13 9 4 4 100 9 12 4 6 5 5 13 13 32 23 47 73 81 20 12 4 9 8 5 6 16 37 2 2 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 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 2 2 1 2 3 2 2 2 12 5 2 3 2 3 12 11 11 22 86 32 6 7 2 3 3 2 1 2 2 2 2 2 2 1 1 1 1 1 1 3 7 53 40 20 4 3 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 dd 1H J 17 33 | 76 76 td 1H J 16 71 | 73 72 dd 1H J 14 73 | 72 72 m 2H | 71 70 dt 2H J 9 85 | 69 68 m 2H | 38 38 s 2H | 35 34 q 2H J 47 | 29 28 tt 2H J 9 46 | 25 24 dt 2H J 85 149 | 22 21 dt 2H J 84 149 | 19 17 dtp 2H J 41 83 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)O)cc3)CC2)C1
ir: 3 5 6 4 0 2 2 2 2 7 5 4 5 14 6 11 6 11 15 11 19 100 89 27 7 5 5 2 2 4 5 5 1 7 5 1 1 2 1 1 2 3 2 0 2 4 2 0 2 3 2 2 5 18 30 21 18 8 7 5 14 6 5 1 8 7 11 2 10 7 6 2 2 7 7 36 19 6 18 56 25 18 10 23 7 15 7 17 8 7 3 2 3 4 2 2 5 6 5 11 7 3 2 2 3 2 1 1 2 2 2 2 2 2 8 68 9 3 3 3 7 10 12 6 5 3 5 1 2 5 6 6 2 1 2 2 2 1 1 3 4 1 5 17 8 10 7 3 4 4 12 15 37 1 7 2 2 0 1 2 1 0 1 9 5 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 2 2 2 1 2 2 5 12 12 11 14 43 22 11 6 2 3 8 3 1 4 41 7 1 2 2 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 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 1 0 1 1; 1HNMR: 79 78 m 2H | 73 73 s 4H | 69 68 m 2H | 34 33 m 4H | 33 33 t 2H J 10 | 28 27 m 6H | 22 21 t 2H J 10 | 16 16 m 2H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N=c1sc2cc(C(F)(F)F)ccc2n1CCN1CCN(c2ccc(F)cc2)CC1)C(F)(F)F
ir: 9 20 14 11 9 7 5 3 5 4 6 5 5 6 4 8 6 12 4 6 6 13 3 2 2 4 4 2 11 20 9 9 3 10 11 4 4 2 1 5 3 5 19 11 26 9 5 5 6 3 9 4 68 32 68 63 18 7 11 15 7 6 4 10 5 4 21 7 12 2 5 10 3 3 3 5 4 0 19 52 82 22 15 30 9 7 6 5 2 10 8 10 1 4 6 11 7 5 58 13 61 11 15 6 7 3 4 3 4 3 6 8 20 35 7 5 12 15 7 5 5 8 5 7 6 3 2 19 5 3 1 2 3 0 0 2 2 1 1 6 18 13 8 14 21 37 53 31 35 25 9 12 20 6 6 1 1 2 1 0 1 3 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 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 3 2 2 2 1 2 3 3 4 18 29 55 100 83 12 8 7 2 4 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: 79 78 dq 1H J 9 19 | 76 76 ddt 1H J 13 25 63 | 75 74 d 1H J 64 | 70 69 m 2H | 69 69 m 2H | 39 39 t 2H J 58 | 33 32 m 4H | 29 29 t 2H J 58 | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc2c(c1)CCN(C(C)=O)CC2
ir: 2 3 6 7 3 2 2 1 1 1 3 1 1 2 7 10 1 1 2 4 1 1 6 1 3 1 3 7 71 4 0 2 2 14 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 8 10 5 2 7 4 2 3 1 1 1 3 3 2 2 13 7 23 3 1 1 1 1 1 1 1 1 2 3 1 1 2 2 4 2 1 2 4 25 2 4 4 6 2 2 2 1 2 3 5 1 1 1 1 1 2 6 4 11 1 2 3 3 4 4 9 7 5 4 4 2 3 10 13 17 11 2 2 2 2 3 3 21 6 2 0 2 3 2 12 2 2 3 3 100 4 6 2 1 3 4 4 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 4 3 3 2 2 2 4 5 10 22 25 17 36 10 4 4 3 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 70 70 dd 1H J 22 77 | 69 69 m 2H | 37 37 td 4H J 34 67 | 30 29 td 2H J 9 66 | 29 29 td 2H J 9 67 | 25 25 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(C)c(S(=O)(=O)Nc3cccc(C(=O)O)c3)sc12
ir: 12 9 11 9 24 14 11 9 9 13 15 18 9 22 10 22 23 19 9 33 59 98 62 21 17 15 9 17 9 7 11 19 15 17 22 22 18 8 7 3 2 3 8 5 7 11 9 60 41 18 21 2 7 5 4 2 2 4 9 6 3 4 6 31 23 10 11 16 14 23 9 4 7 4 8 19 9 27 44 28 18 13 10 7 11 25 40 20 6 3 4 2 3 3 2 8 58 17 7 4 9 23 36 39 18 12 2 3 2 3 3 3 3 3 11 26 19 6 6 8 14 9 6 7 14 40 14 6 3 11 10 63 16 5 5 4 3 2 3 3 15 30 11 6 11 13 100 24 11 2 1 3 2 2 2 6 17 22 4 4 2 0 1 6 2 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 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 1 2 3 2 2 1 2 1 1 2 2 1 4 6 7 10 8 14 34 74 58 28 7 5 2 7 4 7 10 47 14 2 3 3 3 2 3 4 4 1 3 2 4 8 15 24 60 59 8 5 5 2 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 92 s 1H | 78 77 m 2H | 76 76 dd 1H J 11 75 | 75 74 ddd 1H J 13 22 81 | 73 73 t 1H J 80 | 73 72 t 1H J 76 | 70 69 dd 1H J 11 77 | 39 39 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1c(C(=O)O)cc(Cc2ccc(-n3cccn3)cc2)c(OC)c1Cl
ir: 1 2 1 0 1 2 0 1 2 5 2 5 12 8 9 8 7 4 3 15 27 100 25 10 6 7 1 3 2 2 1 1 1 1 1 2 2 3 10 16 28 5 5 2 2 3 4 2 2 2 2 3 2 3 2 4 10 7 8 2 1 1 4 1 1 2 1 2 6 11 12 8 14 4 5 5 7 20 26 4 2 2 3 5 2 11 8 7 3 5 3 4 3 1 1 0 1 2 2 2 1 2 0 2 2 1 2 1 0 0 1 0 0 2 5 10 2 1 1 0 1 2 1 2 2 5 4 1 5 2 3 2 15 7 4 2 1 2 19 4 3 7 7 4 1 2 3 3 10 4 1 2 13 6 3 2 2 4 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 1 1 1 1 1 8 7 3 3 5 11 22 33 12 3 4 12 7 4 4 4 2 23 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 26 | 77 77 d 1H J 19 | 77 76 m 2H | 76 76 t 1H J 9 | 73 73 m 3H | 65 65 dd 1H J 18 26 | 58 58 dd 1H J 21 168 | 57 56 dd 1H J 21 113 | 39 39 q 2H J 8 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1ccc(F)cc1F
ir: 5 4 1 6 8 19 8 11 6 7 7 17 11 5 16 6 8 8 5 8 12 31 5 8 6 10 10 5 4 2 3 4 9 3 5 2 9 6 6 6 31 14 7 9 8 3 8 14 3 1 2 3 3 6 25 30 40 13 13 17 4 2 2 2 4 2 18 34 5 10 2 1 1 1 1 1 2 2 4 2 1 1 1 1 5 6 8 6 8 5 1 2 2 1 1 2 2 6 14 5 4 14 36 11 3 2 2 2 1 3 3 28 22 6 11 3 3 9 5 5 5 3 5 8 10 8 7 23 17 6 5 7 4 4 14 7 6 4 2 3 1 2 2 2 13 17 64 22 23 27 22 16 51 40 18 12 5 2 3 92 13 3 20 5 2 2 2 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 2 2 3 3 4 3 3 2 6 6 2 18 14 15 71 26 13 8 4 3 6 2 3 2 1 2 1 2 3 2 3 2 4 4 5 10 13 27 37 44 100 17 12 2 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 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; 1HNMR: 87 87 d 1H J 38 | 83 82 s 1H | 72 71 m 3H | 71 70 m 3H | 70 69 ddd 1H J 27 76 102 | 39 38 ddd 2H J 57 84 123 | 35 34 ddd 2H J 57 84 121 | 29 28 m 1H | 24 24 s 2H | 22 21 ddt 2H J 56 84 130 | 19 18 ddt 2H J 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H]1CC[C@@H](C(c2ccccc2)c2ccccc2)OC1
ir: 0 1 1 2 1 1 1 1 4 1 1 1 1 1 2 2 0 1 0 0 1 0 0 1 1 1 2 2 2 3 5 3 17 11 2 2 1 2 6 11 7 20 10 7 3 1 1 2 3 2 2 4 5 8 12 9 4 1 8 5 7 4 7 3 2 5 4 7 5 16 6 3 2 1 3 4 12 26 14 5 5 2 4 1 1 1 1 1 4 2 2 3 1 1 1 1 2 1 2 2 3 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 2 2 2 3 2 2 1 2 4 5 3 5 4 9 19 12 35 9 3 2 1 1 3 6 12 10 4 5 3 1 1 1 1 10 2 1 1 1 0 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 4 8 17 8 11 2 3 1 1 1 1 1 1 2 1 1 7 15 28 4 7 3 1 3 7 100 23 7 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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; 1HNMR: 73 72 m 10H | 41 41 dd 1H J 10 87 | 41 40 ddd 1H J 32 59 89 | 38 37 dd 1H J 19 120 | 35 34 dd 1H J 47 120 | 31 30 m 1H | 24 23 d 2H J 71 | 20 18 m 2H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=c1ccccn1CC(=O)O
ir: 0 2 4 2 1 3 5 6 2 4 25 13 14 11 9 5 6 7 7 9 28 46 48 14 7 5 12 3 2 6 4 2 3 6 6 9 11 13 29 30 18 8 23 22 34 36 19 5 7 5 5 1 3 6 3 0 2 4 2 0 4 9 3 5 4 4 1 0 4 4 2 1 3 5 18 10 14 18 41 24 25 58 4 2 8 9 22 19 15 6 5 4 6 4 4 2 4 3 2 2 6 6 3 2 3 3 3 5 5 2 0 2 4 2 0 2 3 3 2 3 9 8 2 3 4 2 1 3 4 3 1 3 3 2 1 3 5 3 4 5 7 8 13 34 23 29 25 11 5 2 1 3 3 3 4 4 8 2 3 5 10 7 2 3 2 0 2 3 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 1 1 3 2 0 2 3 2 0 2 4 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 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 2 0 2 4 2 1 3 7 6 4 20 17 17 22 5 4 2 68 34 100 34 4 2 1 15 27 86 14 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3; 1HNMR: 88 87 s 1H | 75 75 dq 1H J 10 73 | 74 74 td 1H J 13 73 | 66 66 dd 1H J 7 77 | 66 65 td 1H J 8 72 | 46 45 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(c2ccc3c(c2)OCO3)N(c2ccc(C#N)c(Cl)c2)C1
ir: 2 4 1 2 1 4 2 5 1 1 2 3 1 2 3 4 1 2 4 2 1 5 2 2 2 2 3 4 1 2 1 1 11 3 7 3 2 3 3 0 25 1 2 2 2 1 1 1 1 2 2 7 4 20 86 24 4 4 3 5 11 2 3 7 8 40 15 64 22 79 4 1 2 4 3 1 2 1 2 2 1 2 2 3 11 2 2 2 14 14 3 5 3 1 3 4 4 2 5 4 5 4 1 2 2 2 2 2 1 2 1 3 1 2 2 1 3 2 4 6 4 4 2 2 4 11 2 3 6 3 5 5 13 5 2 2 2 2 4 33 1 2 15 2 2 1 2 2 2 6 31 8 5 6 6 4 2 1 1 2 2 2 37 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 4 50 4 1 0 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 2 1 1 2 2 2 2 2 3 2 5 1 2 2 2 3 3 9 19 18 17 92 100 6 5 2 4 2 2 3 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; 1HNMR: 76 75 d 1H J 81 | 71 71 d 1H J 22 | 69 69 ddd 1H J 7 20 86 | 69 68 m 2H | 68 68 d 1H J 85 | 59 59 s 2H | 49 49 dd 1H J 44 53 | 36 35 s 2H | 21 20 dd 1H J 49 126 | 19 18 dd 1H J 49 126 | 11 10 s 3H | 10 9 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1
ir: 0 1 2 2 3 2 1 1 1 1 2 3 1 2 2 1 8 5 4 7 4 1 2 1 1 3 3 2 5 9 8 14 7 13 14 14 15 7 8 7 4 6 5 1 1 6 9 8 8 2 1 2 3 5 4 4 2 3 1 0 1 3 1 1 4 12 19 10 13 3 1 2 2 4 1 1 1 2 1 1 1 2 3 64 14 2 1 1 1 3 9 31 19 8 4 3 3 6 2 1 1 1 0 1 1 2 12 16 4 2 2 2 4 4 5 5 1 3 2 3 3 3 1 1 2 2 1 2 3 1 0 1 1 1 3 3 2 1 0 1 1 1 2 5 17 28 100 45 3 2 2 1 1 0 1 9 7 1 1 2 2 8 10 1 1 0 0 1 2 0 1 1 1 0 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 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 1 1 2 2 1 1 1 0 0 0 1 1 1 1 1 2 2 2 3 4 2 2 2 1 2 3 5 7 7 24 13 6 4 2 1 1 6 91 88 7 2 0 1 1 1 1 1 2 2 4 5 14 22 33 25 8 5 3 1 1 0 0 1 1 0 1 1 0 0 0 1 1 1 1 2 2 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: 91 91 s 1H | 78 78 s 2H | 58 58 s 1H | 23 22 t 2H J 62 | 17 16 qt 2H J 62 75 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)ccc2F)C1
ir: 21 15 3 7 7 7 9 8 13 14 35 23 6 19 10 7 5 5 5 8 12 2 2 4 3 5 8 5 5 4 4 4 3 2 3 10 3 3 4 4 6 3 4 3 3 2 3 3 3 3 3 2 5 9 45 24 4 4 4 5 6 4 3 4 6 3 4 7 24 28 6 9 10 3 4 5 5 2 3 3 2 2 5 4 5 6 9 4 3 3 3 9 4 9 5 11 4 13 13 10 4 10 8 10 14 9 7 6 8 7 8 16 32 13 9 9 10 10 10 12 8 9 7 19 2 7 9 4 8 7 10 7 5 8 23 18 20 7 4 5 7 6 29 34 51 8 6 2 10 60 34 83 15 3 3 3 4 3 3 2 21 6 3 2 3 3 3 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 3 5 4 4 5 8 8 7 5 5 9 6 10 8 24 30 0 56 100 18 10 6 7 4 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 71 69 m 3H | 42 41 tt 1H J 74 84 | 38 37 ddd 1H J 61 89 124 | 37 37 s 2H | 37 36 s 2H | 35 34 ddd 1H J 62 90 125 | 32 31 dddd 1H J 9 37 84 137 | 30 29 m 2H | 26 25 dt 1H J 71 130 | 22 20 m 2H | 19 18 ddt 1H J 61 90 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c[nH]c(C2(C)COC2)n1
ir: 1 1 1 2 1 1 1 1 1 1 1 1 3 5 1 2 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 1 3 5 3 1 1 1 1 1 3 24 24 3 1 2 4 7 2 1 2 3 7 10 6 4 10 5 3 1 3 4 2 2 2 3 2 1 5 2 2 3 3 5 7 3 4 3 0 1 13 27 12 100 5 0 3 2 2 1 11 10 5 10 15 3 5 3 6 6 5 2 2 8 12 9 12 7 2 7 14 5 2 1 1 4 1 1 1 1 1 1 1 1 2 5 6 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 3 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 1 1 1 1 2 4 4 6 6 5 4 17 16 9 12 28 14 5 7 3 1 1 1 2 1 3 15 28 27 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; 1HNMR: 70 69 m 1H | 46 45 d 2H J 110 | 43 43 d 2H J 110 | 23 23 d 4H J 7 | 15 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1c2ccc(Cl)cc2nn1CC(C)(C#N)NC(=S)c1ccc(C(F)(F)F)cc1
ir: 1 1 2 3 1 1 1 1 1 1 0 1 0 0 0 0 0 0 4 1 2 2 1 1 0 0 0 1 1 1 1 1 1 2 1 3 5 21 5 8 2 1 1 1 1 0 0 0 0 0 0 1 1 6 14 7 5 1 0 1 1 0 0 1 1 0 6 4 2 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 1 0 0 0 1 0 1 2 1 1 3 4 5 1 1 2 1 0 0 0 2 1 1 2 100 6 1 2 8 2 2 2 4 2 3 1 2 10 8 2 1 0 2 1 1 1 0 0 1 1 0 2 3 3 13 5 3 1 2 2 1 3 1 5 2 1 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 3 3 3 9 13 11 6 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 2 3 75 22 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 81 81 m 2H | 80 79 dq 2H J 14 113 | 79 78 d 1H J 83 | 74 74 d 1H J 21 | 74 73 dd 1H J 22 84 | 47 47 d 1H J 137 | 45 44 d 1H J 136 | 43 42 t 2H J 49 | 20 19 s 2H | 19 18 qt 2H J 49 78 | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCN1C(=O)CC[C@H]1CN1C(=O)c2ccccc2C1=O
ir: 2 2 3 2 2 2 2 2 2 2 2 3 2 4 2 2 2 2 3 3 7 12 3 3 3 2 2 2 2 2 2 2 2 3 2 2 2 4 16 3 5 15 4 3 3 5 2 9 10 3 3 2 2 2 2 2 2 3 2 6 3 3 4 3 2 3 3 2 2 2 4 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 3 5 2 3 2 2 2 2 2 2 2 2 2 4 2 2 3 2 2 3 3 3 3 3 3 3 3 4 8 3 3 4 3 7 12 5 4 4 3 4 3 4 3 2 2 2 21 3 4 14 4 3 24 3 3 2 2 2 2 2 2 2 3 22 3 3 3 0 100 2 8 2 2 20 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 2 3 3 3 3 3 4 11 3 11 14 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 50 | 43 42 dd 1H J 53 141 | 41 41 qdd 1H J 18 38 55 | 41 40 dd 1H J 51 141 | 36 35 dt 1H J 87 122 | 33 32 dt 1H J 87 121 | 26 25 dddd 1H J 18 40 59 139 | 25 24 ddd 1H J 41 59 139 | 22 21 ddt 1H J 39 58 117 | 19 19 dtd 1H J 40 58 117 | 17 16 m 1H | 16 15 tdd 2H J 23 63 87 | 10 9 dd 6H J 27 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc2c(c1)cc(Br)n2S(=O)(=O)c1ccccc1
ir: 7 18 10 6 7 3 4 10 21 12 27 16 7 8 6 14 2 4 4 7 16 8 4 3 36 7 1 3 7 13 44 21 7 10 8 2 3 15 7 35 35 5 6 3 3 2 9 2 1 2 1 1 2 2 3 3 2 3 7 6 27 100 7 4 2 2 8 5 7 7 2 13 5 2 1 6 3 4 16 3 1 1 1 3 56 2 14 0 5 7 8 5 3 2 1 2 4 4 5 6 7 3 3 5 9 36 3 1 1 2 7 6 3 2 0 2 3 3 6 7 11 12 7 8 2 3 1 3 9 13 31 47 7 4 5 16 4 2 3 22 1 3 5 16 8 8 5 59 50 27 13 2 4 14 68 5 5 1 1 2 1 0 1 3 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 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 6 3 3 1 1 1 2 1 0 1 6 7 8 31 8 7 20 44 7 5 4 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 dt 2H J 17 30 | 78 77 m 2H | 77 76 ddt 1H J 15 73 88 | 75 74 m 2H | 69 68 d 1H J 21 | 15 15 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(NS(=O)(=O)c2ccccc2)cccc1C1CC1
ir: 2 3 6 5 1 3 5 3 4 6 7 7 5 11 9 2 1 4 5 2 1 4 5 8 0 5 5 3 6 7 27 19 12 12 14 7 10 11 20 10 46 7 6 4 15 7 5 3 3 6 10 13 52 61 7 2 5 7 3 0 4 7 7 5 5 7 3 1 7 9 2 0 3 5 4 3 6 16 7 2 5 5 2 1 16 41 17 4 4 6 3 2 4 4 2 10 5 10 3 4 6 4 2 4 29 14 4 3 4 4 15 10 6 3 0 3 5 4 4 28 43 14 4 7 7 2 1 3 4 2 1 4 6 5 16 11 5 2 2 12 13 4 18 13 7 3 4 5 5 10 7 6 4 2 2 8 10 7 6 5 3 1 2 4 3 1 2 4 3 0 2 5 2 0 3 5 2 1 3 4 2 0 5 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 4 2 5 9 13 24 26 9 5 2 4 6 4 2 3 4 3 1 3 4 2 1 4 4 2 2 5 6 4 4 16 55 100 34 5 4 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 80 79 tt 1H J 13 73 | 77 77 m 2H | 75 74 m 3H | 73 73 m 1H | 72 71 s 1H | 71 71 dt 1H J 10 78 | 28 27 m 1H | 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.
O=C1NCc2c(-c3ccccc3)cccc2N1CCN1CCOCC1
ir: 0 5 2 5 1 6 5 5 1 2 9 2 0 5 5 5 2 6 5 28 3 8 7 8 18 2 2 2 1 7 7 6 3 7 10 5 2 5 6 6 59 73 43 58 23 3 3 53 14 11 9 4 4 7 10 16 5 4 1 0 1 2 1 1 2 3 6 1 10 3 11 3 4 7 1 4 3 4 2 1 2 7 18 4 3 10 4 4 3 12 2 11 8 2 2 1 2 3 4 2 3 9 4 2 2 1 0 1 2 1 1 2 3 4 5 3 5 2 3 8 4 5 7 4 4 2 1 7 4 1 2 11 7 39 35 11 3 8 3 3 10 3 5 8 5 6 3 10 4 5 8 6 3 1 9 44 35 12 3 8 28 3 9 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 3 2 3 2 1 2 4 2 7 12 7 15 40 40 13 6 4 3 3 1 1 2 4 1 0 2 2 1 0 2 2 2 1 2 5 10 100 42 10 4 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 dd 1H J 12 80 | 74 73 m 5H | 73 72 t 1H J 78 | 71 70 dd 1H J 11 75 | 63 62 t 1H J 51 | 48 47 d 2H J 49 | 39 38 t 2H J 62 | 37 37 m 4H | 29 29 t 2H J 62 | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
ir: 1 1 2 1 1 2 1 0 1 1 5 7 8 1 1 1 2 1 0 1 2 2 1 1 1 1 0 1 1 1 2 5 2 3 1 1 4 2 1 1 8 21 4 2 1 1 0 1 1 1 1 3 2 12 10 10 11 5 3 2 3 1 2 0 1 6 4 5 7 15 10 1 0 0 0 1 1 1 1 1 1 0 0 1 0 1 4 9 6 10 2 1 2 2 2 2 1 4 4 1 1 0 0 0 1 0 1 1 0 1 0 0 1 1 1 1 4 2 1 1 2 3 2 9 6 5 4 2 3 1 1 0 0 1 4 13 2 1 0 1 2 28 23 15 15 14 5 7 29 2 4 44 6 6 3 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 2 1 1 1 1 2 2 6 3 12 13 68 49 100 11 9 7 2 1 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dt 2H J 9 82 | 76 76 m 2H | 75 75 m 2H | 75 74 m 2H | 74 73 m 1H | 70 69 m 4H | 51 50 d 2H J 9 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OCC2CCCC2Nc2ccc(Cl)cc2)cc1
ir: 2 7 6 2 2 5 6 7 9 5 4 3 9 22 14 13 7 7 10 12 11 100 43 32 10 4 0 2 2 4 0 5 2 4 2 2 1 0 1 1 1 1 1 3 2 1 2 2 2 1 1 2 1 7 21 15 12 2 1 2 1 1 1 4 2 2 2 2 4 10 4 0 2 3 5 9 7 26 22 28 4 3 1 0 1 1 6 7 3 2 1 4 1 1 1 2 2 2 2 1 2 2 1 2 7 10 8 4 2 1 2 1 1 1 3 29 10 4 3 2 2 5 6 6 3 4 6 6 2 1 1 1 1 1 1 1 1 2 2 2 8 9 30 34 12 4 3 3 11 46 15 21 22 7 10 0 1 1 1 0 0 1 8 3 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 0 1 1 2 2 2 2 1 2 1 2 2 5 7 0 18 72 20 5 3 2 2 4 3 2 8 22 15 2 2 1 1 1 1 2 1 3 2 4 9 17 48 15 7 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 72 71 m 2H | 70 69 m 2H | 66 66 m 2H | 44 43 d 1H J 66 | 43 42 dd 1H J 38 125 | 41 40 dd 1H J 38 125 | 38 37 ddt 1H J 32 55 65 | 22 21 dtt 1H J 38 46 55 | 20 19 m 1H | 19 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(Br)ccc1NC(C)COC
ir: 8 16 6 4 1 2 2 2 2 1 2 3 1 1 1 2 3 2 4 8 5 16 22 24 20 36 52 24 3 9 4 9 9 5 6 3 2 6 5 3 4 2 1 1 1 1 1 1 1 3 2 2 8 20 20 8 6 4 1 1 1 2 2 2 2 1 5 2 1 1 0 2 1 3 3 5 2 2 3 6 3 9 22 8 1 2 1 1 1 0 1 2 4 1 2 1 2 1 1 1 0 0 3 1 2 1 3 3 4 4 2 4 23 14 4 9 4 3 3 3 3 3 2 2 4 17 14 22 5 6 8 5 31 18 4 5 4 3 9 41 13 5 1 2 3 1 3 3 9 23 12 5 2 0 3 25 10 4 1 0 15 2 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 1 0 0 1 0 0 3 1 1 1 1 2 1 1 1 2 4 2 3 17 24 9 6 4 16 2 1 1 1 1 1 1 2 1 1 1 1 1 3 1 1 1 2 3 6 11 20 50 100 61 15 9 8 6 3 1 2 2 0 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 79 | 75 75 m 2H | 44 43 q 2H J 64 | 38 37 dqt 1H J 41 60 91 | 35 34 dd 1H J 41 113 | 33 32 dd 1H J 42 114 | 32 32 s 2H | 14 13 t 3H J 64 | 13 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.