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CN(C)CCOCc1scc2c1-c1ccccc1Sc1ccccc1-2
ir: 4 6 3 4 4 5 3 7 7 6 3 3 4 4 8 3 5 3 1 2 2 1 1 2 2 2 2 2 2 7 8 8 9 2 6 4 5 5 8 17 18 45 19 49 36 1 4 10 11 19 5 9 3 2 7 8 5 3 4 4 3 1 5 8 12 3 5 6 8 13 8 9 3 7 7 14 7 3 5 4 5 4 2 3 5 3 10 14 4 4 4 8 4 1 3 2 3 2 4 3 4 4 5 6 7 3 5 15 8 4 4 2 4 3 3 4 6 26 11 5 13 6 6 4 3 4 4 3 7 6 8 6 12 10 11 8 77 15 10 4 6 4 3 1 1 3 3 5 29 4 2 1 1 2 2 0 1 3 5 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 2 1 1 2 1 2 2 3 2 1 2 3 2 2 3 3 7 26 19 100 35 8 8 5 3 1 3 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 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 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 75 74 m 4H | 74 73 m 6H | 48 47 s 2H | 37 36 t 2H J 66 | 28 27 s 5H | 27 27 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CC1
ir: 7 7 8 10 13 34 49 29 61 13 11 6 4 11 15 8 3 3 5 28 1 2 5 3 2 2 3 1 2 7 5 11 28 58 8 5 12 3 3 13 16 5 7 11 5 20 15 4 5 9 4 13 2 4 5 7 7 3 6 1 2 5 4 4 4 9 41 47 20 34 14 7 10 4 6 2 7 6 4 6 24 33 38 15 25 18 14 22 87 23 7 14 4 4 6 10 7 21 8 7 13 11 16 10 63 15 9 14 12 5 5 7 11 12 15 11 6 7 11 7 4 9 9 19 12 4 9 9 9 8 5 9 8 6 3 2 4 7 5 8 3 4 2 3 3 2 2 4 4 3 2 2 2 4 4 6 39 2 2 5 3 0 1 2 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 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 1 2 2 1 1 1 3 5 4 3 5 6 10 11 9 5 3 5 2 7 42 67 31 9 4 14 9 7 3 3 3 2 1 1 2 1 1 1 2 1 1 1 19 1 1 2 2 2 1 2 13 6 1 3 100 27 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 22 | 79 79 d 1H J 23 | 76 76 s 2H | 76 75 t 1H J 16 | 75 75 dd 1H J 17 54 | 74 74 dd 1H J 17 54 | 71 71 dt 1H J 7 75 | 36 35 t 2H J 75 | 35 34 q 2H J 62 | 34 33 ddd 2H J 69 94 128 | 33 32 ddd 2H J 68 95 128 | 31 30 t 2H J 103 | 30 30 m 1H | 23 22 dddd 2H J 54 69 95 121 | 21 19 m 4H | 11 11 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2nc3cc4ccccc4n(C)c-3c12
ir: 10 5 0 5 9 7 3 13 16 11 1 7 10 6 2 7 8 3 1 7 8 3 2 8 7 3 2 7 8 3 2 7 8 4 8 8 8 3 3 8 11 23 18 19 12 0 4 30 13 18 23 18 8 2 5 9 5 1 6 10 5 2 6 8 4 1 6 8 7 4 7 10 5 3 10 15 10 7 7 7 4 10 16 8 4 3 7 6 3 3 6 6 2 3 8 9 10 7 12 8 3 5 9 18 2 5 9 7 1 6 11 7 1 5 9 4 0 7 14 5 2 6 12 6 3 6 10 6 6 14 9 3 1 6 8 5 15 20 10 17 10 18 10 8 3 9 10 7 3 12 7 4 5 11 15 6 10 15 21 41 11 6 5 2 5 7 5 2 4 7 4 1 4 7 4 1 5 7 4 2 5 7 4 2 5 7 3 2 5 7 3 2 6 7 3 2 6 6 3 3 6 6 3 3 6 6 2 3 6 5 2 3 7 5 2 4 7 5 2 4 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 4 2 5 7 4 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 3 3 6 6 2 3 6 6 2 3 7 6 3 5 7 5 2 4 7 5 2 5 9 6 3 6 16 16 3 51 98 100 23 12 10 7 4 6 9 5 2 6 7 4 3 6 6 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 2 4 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 4 7 4 2 4 7 4 2 5 7 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 5 6 3 3 6 5 3 3 6 5 3 3 6 5 3 4 6 5 2 4 6 5 2 4 6 4 2 4 7 4 2; 1HNMR: 84 83 dd 1H J 14 76 | 83 83 dd 1H J 14 83 | 81 81 s 1H | 78 78 td 1H J 14 75 | 76 76 ddd 1H J 15 75 82 | 76 75 dd 1H J 12 83 | 73 72 dd 1H J 77 84 | 70 69 dd 1H J 11 77 | 39 39 s 3H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
ir: 12 8 10 8 7 8 7 7 6 6 7 7 7 9 11 8 13 10 13 52 8 9 9 8 7 6 6 6 7 8 9 16 11 7 7 8 7 9 8 10 13 20 20 13 14 19 11 9 15 12 7 7 7 14 8 10 42 9 6 6 6 7 6 6 30 9 7 7 7 9 11 7 7 8 9 11 9 8 6 6 7 8 7 13 27 15 21 17 31 34 17 9 9 7 7 8 7 9 15 21 25 8 8 6 8 6 6 7 6 6 7 10 0 10 6 6 7 6 6 14 14 8 10 7 8 15 8 10 6 7 6 6 6 7 9 16 16 7 9 10 7 7 10 100 16 10 79 14 11 28 19 10 18 11 8 6 6 7 6 5 6 7 6 7 9 8 6 5 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 5 8 8 15 8 25 67 21 15 23 8 10 9 7 7 7 6 6 6 6 8 6 6 7 6 7 6 7 7 7 11 18 8 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 86 86 dd 1H J 17 40 | 82 81 m 3H | 79 79 m 2H | 78 77 ddd 1H J 17 71 82 | 77 76 dq 2H J 14 68 | 75 74 s 1H | 74 74 m 2H | 73 73 ddd 1H J 15 40 71 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(-c3cccc(C(=O)O)c3)[nH]c(=O)n2)ccc1O
ir: 1 1 2 2 2 7 6 7 0 2 2 2 3 7 5 10 2 12 4 5 14 65 35 14 5 4 6 3 6 6 4 1 10 7 5 2 1 2 2 1 1 2 2 0 2 6 5 5 72 69 7 1 4 10 100 5 7 3 2 3 2 3 1 1 4 3 3 3 7 8 5 12 11 11 9 10 13 17 76 31 22 9 36 9 8 4 4 12 7 5 13 6 7 6 1 1 1 1 1 1 1 4 3 2 1 1 0 1 1 1 1 1 2 6 4 7 5 17 3 3 4 7 4 9 6 5 6 11 5 3 7 4 2 3 6 7 1 1 2 6 14 21 7 4 16 21 93 3 2 2 6 3 4 10 9 17 12 50 27 51 3 2 3 3 3 5 13 3 2 2 1 1 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 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 3 2 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 1 3 1 1 4 6 35 46 33 14 14 1 5 8 8 28 30 89 12 3 1 0 1 1 1 2 1 1 1 2 6 45 13 12 5 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 98 s 1H | 84 83 t 1H J 21 | 80 79 ddd 1H J 12 21 81 | 79 78 ddd 1H J 12 22 84 | 75 75 t 1H J 83 | 74 74 dd 1H J 21 83 | 73 73 m 1H | 73 72 s 1H | 72 72 s 1H | 69 69 d 1H J 82 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCN1CC(=NO)c1ccc(OC(F)(F)F)cc1
ir: 13 17 16 20 13 18 12 9 12 8 5 19 19 15 9 6 10 15 10 3 8 8 17 4 5 3 4 3 3 1 4 7 2 2 2 1 2 3 3 3 3 3 2 4 3 5 2 2 3 3 2 1 3 1 5 11 50 3 5 2 1 2 1 0 2 5 11 1 2 9 4 3 3 4 2 5 3 9 2 7 9 7 2 5 3 11 1 1 4 2 1 1 4 4 2 5 3 100 21 23 57 41 11 3 1 2 1 2 4 7 5 5 2 2 3 4 2 3 7 7 4 7 3 5 2 5 3 3 2 3 32 12 7 1 0 1 1 1 1 2 2 1 5 7 6 1 2 2 7 43 10 7 6 5 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 1 1 2 2 8 2 4 1 0 1 3 3 12 6 7 10 63 17 6 3 2 2 4 2 38 31 1 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 76 75 m 2H | 72 72 m 2H | 46 45 s 2H | 36 35 dd 2H J 38 48 | 25 24 t 2H J 57 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(OCc2ccccc2)cc(-c2nc3cc(-c4ccccc4)cnc3[nH]2)c1
ir: 1 1 0 0 0 1 2 1 1 1 1 4 1 1 1 1 1 4 3 1 2 3 3 4 2 2 7 13 4 7 21 5 8 2 1 1 2 2 2 7 19 21 4 2 2 1 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 1 3 10 3 15 5 5 1 1 8 1 1 1 2 3 1 2 3 1 1 0 1 4 1 1 2 1 1 1 4 1 1 2 17 2 1 0 1 1 1 0 0 1 1 3 1 0 0 0 0 1 1 1 3 4 1 1 1 1 1 2 1 5 2 1 3 2 1 0 7 3 7 3 1 1 1 2 6 3 5 8 20 2 0 1 2 5 36 20 3 1 6 1 1 4 1 1 8 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 4 4 4 14 100 14 10 3 1 1 3 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 5 6 9 11 9 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 16 | 85 85 d 1H J 16 | 76 75 m 2H | 75 74 m 2H | 74 73 m 5H | 73 73 m 1H | 72 71 t 1H J 22 | 71 71 t 1H J 22 | 66 65 t 1H J 22 | 50 49 d 2H J 9 | 47 46 hept 1H J 57 | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(SCCC2=CC2)cc1
ir: 2 1 1 1 2 3 5 22 27 100 0 19 4 12 14 11 2 1 1 2 2 1 2 1 2 1 1 2 7 9 3 3 2 1 1 2 2 2 2 2 5 2 2 3 5 10 20 5 7 8 10 19 34 25 78 18 7 1 2 3 2 1 2 3 2 1 3 5 28 9 2 2 2 1 2 3 1 1 1 2 1 1 2 4 8 7 3 3 2 2 2 20 6 5 3 3 0 3 13 48 13 10 4 3 0 3 4 4 1 2 3 2 1 2 3 2 0 5 9 12 9 9 5 9 15 7 30 24 4 3 3 1 1 2 2 1 0 2 2 1 1 2 4 18 20 14 5 10 2 2 6 22 5 4 2 0 1 2 2 1 1 2 1 0 1 2 7 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 1 1 2 2 0 1 2 1 1 2 3 2 2 3 4 4 2 2 4 2 0 4 14 13 10 92 72 49 26 27 18 27 36 18 11 8 13 8 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 4H | 66 65 tt 1H J 13 38 | 30 30 t 2H J 49 | 27 26 dt 2H J 10 38 | 25 24 tq 2H J 11 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1NS(=O)(=O)c1cccc(C=CC(=O)O)c1
ir: 4 4 2 2 4 5 9 3 4 3 11 31 20 9 7 4 2 4 5 8 5 31 88 8 3 10 6 4 3 2 3 43 18 3 3 4 4 3 5 8 12 9 20 7 15 14 15 21 21 27 12 14 9 7 12 10 8 8 2 5 6 7 1 4 9 10 3 2 3 3 6 2 2 2 2 7 11 8 100 39 6 16 13 3 15 29 8 10 3 2 3 3 5 12 4 2 4 9 6 3 6 2 2 4 3 4 3 3 3 3 1 2 8 3 18 70 31 10 6 10 9 5 8 8 18 7 3 2 1 1 2 2 1 4 2 2 2 4 4 2 19 4 5 7 20 83 10 0 4 16 3 0 4 5 2 1 1 2 2 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 2 2 3 6 5 4 14 16 67 23 6 4 2 2 2 2 0 21 70 3 3 2 0 2 2 2 1 1 2 1 3 3 3 3 5 25 43 3 2 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 87 86 s 1H | 82 82 t 1H J 22 | 79 79 ddd 1H J 13 21 80 | 77 77 m 1H | 76 75 m 2H | 73 73 dd 1H J 18 76 | 70 69 m 4H | 66 65 d 1H J 165 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(CNC(=O)[C@@H](O)C(C)C)CCCC1
ir: 14 11 21 8 4 6 15 8 10 6 5 8 5 8 5 5 6 6 3 3 3 3 3 6 4 5 3 6 7 8 9 13 9 10 14 41 32 10 10 18 8 9 8 6 9 10 6 3 2 2 3 8 3 2 2 4 4 2 4 2 3 6 5 5 2 2 2 4 5 1 2 14 4 4 3 6 4 8 6 3 1 6 5 3 7 8 44 100 43 53 16 13 4 5 4 3 4 3 4 3 3 5 3 7 4 7 9 13 4 13 18 17 22 21 17 9 6 8 11 8 12 13 5 4 4 8 6 7 14 6 6 4 4 2 3 2 1 1 2 1 4 3 5 3 9 12 92 46 17 6 3 2 2 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 2 3 3 1 5 7 6 8 4 4 4 13 16 8 15 17 9 3 5 5 4 5 3 10 5 36 71 62 34 19 9 2 3 1 3 4 2 2 4 8 8 29 51 37 9 19 4 6 3 3 2 3 2 2 1 2 2 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 69 69 t 1H J 49 | 44 43 d 1H J 59 | 39 38 dddt 1H J 15 31 60 74 | 37 36 s 2H | 36 36 d 2H J 49 | 21 20 m 1H J 69 | 20 19 m 4H | 19 17 m 2H | 18 17 m 2H | 10 9 ddd 6H J 15 70 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2F)[nH]c2ccc(Br)cc12
ir: 4 2 2 3 4 27 3 3 4 3 2 3 6 5 17 11 5 2 1 3 4 2 1 3 3 2 7 14 42 4 2 4 4 3 10 6 5 3 21 10 4 8 36 100 5 1 2 5 3 0 3 5 3 5 15 8 5 1 3 5 3 0 3 5 2 2 10 14 4 5 5 6 2 1 4 7 5 2 4 4 2 3 9 5 2 2 7 4 2 2 7 4 1 6 4 3 1 2 5 18 3 2 4 3 1 3 11 22 8 18 3 3 1 2 4 3 1 3 12 24 1 3 4 2 1 3 4 2 1 3 4 3 2 3 5 2 11 26 16 4 7 6 6 2 3 6 13 25 17 6 4 1 2 3 31 4 2 4 3 1 5 9 8 3 3 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 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 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 3 4 3 1 2 4 4 1 3 7 5 7 23 27 30 16 6 6 4 4 3 3 3 2 3 3 2 3 3 3 3 2 4 4 3 3 6 6 16 23 38 41 9 9 4 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 94 94 s 1H | 78 77 d 1H J 27 | 76 76 ddd 1H J 12 39 84 | 74 73 m 2H | 73 72 m 2H | 72 71 ddd 1H J 14 77 102 | 28 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1
ir: 8 3 5 7 12 5 9 5 7 5 10 5 5 3 6 4 4 6 3 7 5 7 2 13 7 10 10 18 11 8 8 28 18 14 13 11 23 27 16 6 9 13 3 4 0 5 7 3 9 4 5 5 7 28 9 11 5 3 4 3 2 3 3 2 2 2 1 3 2 11 3 3 4 3 6 2 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 8 7 2 2 1 3 3 3 4 3 4 6 2 4 5 3 3 4 1 4 4 5 8 5 8 5 4 6 3 4 3 4 4 4 2 1 4 2 7 29 5 6 8 15 27 38 12 7 30 19 9 30 14 50 15 28 6 4 4 6 5 8 100 7 2 4 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 3 3 3 1 2 1 3 3 3 5 15 5 4 10 5 3 2 1 1 2 1 1 1 1 1 1 1 2 1 2 3 4 5 4 2 6 13 15 84 11 10 16 5 17 42 6 9 2 1 2 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dt 1H J 9 19 | 75 74 ddt 1H J 9 18 75 | 74 73 t 1H J 64 | 65 65 d 1H J 75 | 60 59 d 1H J 79 | 50 50 s 2H | 46 44 m 2H | 43 42 q 1H J 74 | 20 18 m 3H | 17 12 m 17H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H]1[C@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 2 3 5 6 9 5 2 4 2 8 2 2 3 2 3 1 1 1 0 1 1 0 0 1 2 1 0 2 3 7 7 11 17 10 33 46 3 7 4 4 24 67 12 8 10 2 1 1 1 0 3 3 2 3 1 2 1 1 3 3 1 1 2 2 2 2 3 8 6 19 3 8 12 5 5 7 7 8 10 7 5 9 3 2 2 1 2 16 4 3 1 1 0 1 1 2 2 2 2 1 1 1 2 3 1 1 1 1 6 9 5 4 7 5 7 9 21 14 8 2 2 2 2 2 2 20 2 4 4 6 1 2 2 2 5 8 30 7 7 2 11 9 14 17 62 37 11 7 2 2 1 1 6 2 12 2 1 1 4 0 2 3 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 2 6 5 11 42 24 100 25 16 7 1 3 4 2 1 1 1 1 0 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 16H | 37 37 s 2H | 31 30 d 1H J 77 | 28 28 dq 1H J 63 77 | 12 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(CCO)c1
ir: 20 8 7 9 8 6 4 13 24 26 23 9 9 4 6 7 10 5 4 6 6 6 3 6 4 1 2 3 3 2 2 4 4 2 2 4 3 2 3 3 3 2 3 6 3 2 2 3 2 1 2 5 16 37 49 52 15 7 9 6 3 1 4 8 5 2 4 3 3 2 3 4 3 5 24 23 7 3 5 6 6 10 11 29 26 51 55 58 100 26 58 44 41 32 35 16 16 11 6 5 3 3 4 3 1 2 3 3 1 4 4 3 4 8 10 8 3 3 4 4 13 22 12 11 4 9 10 7 2 4 4 2 0 2 3 1 0 2 2 1 1 2 2 2 11 3 2 1 1 2 2 1 2 3 22 10 6 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 3 3 4 1 4 3 5 4 3 7 3 4 3 7 7 6 4 5 9 7 5 16 17 12 14 44 34 38 44 77 32 17 89 45 91 9 5 7 2 2 5 4 3 2 3 2 3 2 3 2 2 2 3 4 4 2 3 3 2 2 3 3 2 3 3 3 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 67 67 m 1H | 66 66 m 1H | 38 37 q 2H J 53 | 30 29 td 2H J 9 52 | 23 22 d 3H J 9 | 22 21 t 1H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Nc1cc(C(C)(C)C)on1)c1cccc(C#Cc2cnc(N)nc2)c1
ir: 1 2 3 2 5 4 4 3 3 5 1 6 5 4 2 4 4 4 3 2 2 1 1 2 4 8 1 5 1 2 1 2 4 4 17 11 31 21 20 12 6 5 7 4 4 3 2 4 3 8 9 8 78 5 3 3 2 1 4 3 1 2 3 1 1 0 2 11 2 4 5 3 4 16 8 0 5 3 3 4 1 2 2 1 1 1 2 3 1 1 1 2 1 1 2 3 1 1 1 1 1 1 1 1 0 1 1 1 4 1 1 1 1 2 2 1 1 1 2 2 0 2 1 7 8 3 5 2 3 3 2 2 1 2 6 2 1 2 2 2 13 4 6 24 35 28 43 7 7 5 7 34 60 28 17 2 2 4 19 60 15 2 2 3 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 26 5 11 5 2 1 1 1 1 1 1 1 1 1 1 1 2 1 10 7 4 8 4 5 30 15 8 4 5 5 100 78 20 2 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 86 86 s 2H | 77 76 t 1H J 21 | 74 74 ddd 1H J 15 22 62 | 73 73 m 2H | 66 66 s 2H | 64 63 s 1H | 33 33 s 3H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Nc2cc(Nc3ccc(N)cc3)c3nccn3n2)CC1
ir: 17 8 4 2 7 7 3 4 3 3 4 1 4 5 8 3 10 15 7 3 3 1 1 2 2 1 4 4 7 2 6 13 2 4 2 2 2 3 2 1 1 1 1 2 1 5 10 2 1 1 1 1 1 3 2 2 17 18 4 1 1 1 1 1 1 1 1 1 1 6 1 1 1 2 7 5 3 4 6 2 3 1 1 1 1 1 1 1 1 1 1 1 0 1 5 1 1 1 0 1 1 3 1 1 1 6 4 2 2 3 6 4 4 3 1 1 1 1 2 7 1 2 2 2 1 1 2 3 1 1 4 2 3 2 2 1 1 18 1 1 1 1 5 2 20 11 6 1 3 5 5 1 2 2 2 6 2 19 100 12 1 1 3 11 3 4 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 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 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 2 2 3 7 6 10 3 3 3 1 1 1 1 1 1 2 1 1 1 1 1 8 35 4 3 2 9 29 30 23 4 2 3 22 11 5 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 77 76 d 1H J 48 | 72 71 m 3H | 67 67 m 2H | 66 65 s 1H | 63 62 d 1H J 77 | 46 45 d 1H J 81 | 40 40 s 2H | 36 35 m 2H | 20 18 m 5H | 17 15 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1-2
ir: 5 4 2 7 8 6 5 12 10 35 30 23 5 23 30 37 20 11 14 7 8 4 3 3 7 3 5 9 17 11 3 5 5 2 3 4 3 4 4 8 78 5 2 6 4 0 2 12 7 19 6 4 4 0 4 5 4 1 5 7 6 1 4 4 4 10 17 17 18 22 16 6 3 2 12 10 9 0 10 26 14 3 4 3 2 1 6 6 6 43 41 6 6 23 6 3 3 4 9 49 15 2 2 3 2 4 9 11 6 7 9 6 3 5 4 2 9 5 4 31 5 4 7 4 6 13 11 5 2 6 13 2 1 10 24 14 3 3 3 6 13 4 3 2 2 3 5 3 1 10 14 22 3 3 3 2 2 10 7 3 3 7 17 5 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 2 3 3 2 2 2 4 3 2 3 4 5 3 4 9 8 8 17 79 26 6 6 8 13 100 62 9 4 1 4 4 2 1 3 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 94 93 s 1H | 73 73 m 1H | 73 72 dd 1H J 15 76 | 72 72 d 1H J 18 | 71 70 dd 1H J 15 81 | 67 67 d 1H J 18 | 40 39 t 2H J 54 | 38 38 s 2H | 19 18 qt 2H J 54 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.
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(C(=O)O)cc2n1
ir: 1 1 1 2 1 2 1 3 2 4 5 16 4 6 9 14 5 6 2 29 15 100 27 3 4 7 7 25 20 8 4 2 2 3 3 1 1 1 8 11 3 2 2 0 1 1 3 1 4 3 1 1 2 2 4 9 4 9 4 2 3 1 3 1 1 3 2 1 9 12 2 1 2 3 3 6 12 8 4 5 4 2 2 2 8 5 2 9 9 3 2 1 3 2 4 5 1 1 0 1 1 1 1 0 1 1 5 2 1 1 1 1 3 3 1 2 3 2 1 1 1 1 3 3 10 3 2 1 1 1 2 2 1 1 2 9 2 1 1 1 1 1 1 1 2 27 27 5 4 4 4 4 2 2 2 2 7 20 18 8 2 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 3 4 14 25 22 10 4 1 2 1 1 1 5 19 12 4 1 1 0 0 2 9 2 1 1 1 0 2 1 1 0 0 1 3 40 3 0 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 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 0 1 0 0 0 1; 1HNMR: 85 84 d 1H J 22 | 84 84 m 2H | 80 80 dd 1H J 21 89 | 75 75 m 2H | 73 73 s 2H | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCOCC2)n1
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 2 2 2 3 3 2 2 5 3 2 1 3 2 1 2 5 3 3 2 3 2 1 1 2 1 1 3 8 5 4 2 1 3 8 1 1 2 1 4 2 1 1 3 12 3 5 1 1 1 1 1 2 3 4 3 3 4 3 4 3 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 2 1 0 1 1 1 2 5 1 2 1 2 1 5 4 5 10 20 18 3 1 65 100 2 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 2 5 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 dd 1H J 12 74 | 75 74 dd 1H J 74 83 | 72 72 m 2H | 41 41 s 3H | 39 38 m 4H | 38 37 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C1/CC[C@H]2[C@@H](OC(C)=O)CCC[C@]12C
ir: 1 1 2 1 3 2 1 1 5 2 1 1 2 3 2 1 1 3 8 10 7 4 6 8 7 11 28 7 3 8 11 3 5 2 2 1 1 1 1 1 1 1 1 1 2 3 1 3 3 1 2 3 3 1 1 2 1 8 11 12 4 3 5 5 2 3 4 6 8 17 7 4 3 3 2 2 3 8 6 9 4 2 2 2 1 1 2 2 2 2 1 2 2 3 4 3 2 4 3 4 10 14 9 3 3 4 6 4 4 3 4 2 5 4 5 12 8 5 5 10 4 8 6 17 9 12 6 9 7 4 5 4 2 2 4 6 3 2 1 3 3 1 1 9 46 100 5 0 1 2 2 0 1 2 2 1 1 4 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 5 3 5 4 4 4 5 4 3 4 4 4 18 22 39 29 6 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 54 53 qt 1H J 9 53 | 50 49 ddd 1H J 29 46 57 | 23 22 dddt 1H J 10 61 80 149 | 22 21 m 1H | 21 20 s 2H | 21 20 dtd 1H J 17 42 60 | 19 18 m 1H | 18 18 ddd 1H J 15 28 44 | 18 16 m 4H | 16 15 m 3H | 16 15 m 2H | 15 15 m 1H | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1[C@H](N)[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@@H]1C
ir: 7 11 10 3 0 3 3 5 9 6 8 2 2 1 3 2 3 5 1 1 5 1 1 2 1 2 2 2 3 7 7 6 3 5 2 1 1 3 6 7 20 16 4 4 2 3 2 1 1 1 2 1 1 2 3 2 3 3 6 7 9 9 8 6 25 45 28 12 12 16 10 8 7 6 6 2 2 2 5 5 12 6 3 2 3 2 0 0 8 29 2 2 4 5 2 1 2 7 3 4 7 2 1 4 3 8 12 3 2 3 4 3 5 3 4 3 2 3 6 12 11 7 2 3 2 3 6 3 5 13 18 31 18 9 14 15 11 4 5 2 3 5 19 9 25 8 6 4 2 3 6 37 6 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 2 1 1 1 2 1 2 2 7 3 1 6 12 18 30 12 16 9 4 2 1 3 3 1 3 2 3 6 5 19 13 13 6 6 3 33 100 100 28 7 4 4 4 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 74 72 m 11H | 51 51 s 2H | 49 49 m 1H | 42 41 dddd 1H J 37 57 71 84 | 41 40 ttd 1H J 14 50 61 | 37 36 s 2H | 27 27 ddd 1H J 14 38 51 | 20 20 d 2H J 59 | 13 13 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C=Cc1cccc2c1Nc1ccccc1S2
ir: 1 2 1 4 9 4 8 7 3 2 3 16 11 3 2 10 11 2 2 5 3 4 85 57 7 4 4 2 3 4 11 8 1 2 3 2 2 4 8 2 5 27 100 31 4 10 68 24 5 3 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 6 1 1 1 2 5 7 1 3 5 7 95 9 2 51 47 4 5 5 2 1 3 16 5 0 1 2 2 0 10 22 6 5 15 6 2 1 2 3 16 0 1 3 9 9 11 2 1 1 2 2 1 1 3 2 5 16 10 2 1 1 3 4 2 1 1 3 19 15 21 16 5 8 10 12 74 10 6 3 1 6 35 39 3 4 3 1 28 8 1 1 1 18 15 1 0 1 10 12 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 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 2 3 7 9 22 22 97 14 9 4 5 2 2 2 3 69 91 3 1 1 1 1 1 1 2 2 1 1 1 1 6 12 42 16 4 4 6 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 100 99 s 1H | 78 78 dd 1H J 6 166 | 76 76 s 1H | 76 75 m 1H | 74 73 m 2H | 72 71 m 3H | 71 70 td 1H J 16 73 | 65 64 d 1H J 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CN2CCNCC2)n1
ir: 3 3 1 2 19 4 5 5 2 2 1 2 2 1 3 1 1 1 1 1 2 6 5 1 1 1 4 1 1 1 2 1 2 4 2 1 2 2 2 1 2 22 3 0 2 10 42 45 8 1 6 3 10 5 7 27 23 1 3 9 2 0 3 5 13 19 16 7 3 2 5 10 7 1 2 3 2 1 10 3 7 16 28 12 6 1 2 2 1 1 2 6 2 2 2 1 1 3 3 3 5 3 1 3 2 2 4 8 15 79 32 4 1 4 4 9 3 9 9 3 0 2 3 4 3 4 4 6 4 66 8 2 4 16 10 2 4 5 17 20 4 4 2 2 7 2 2 1 1 2 1 2 3 4 8 100 5 3 3 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 2 2 2 2 3 3 3 2 2 5 3 2 3 2 7 3 3 87 14 2 3 6 2 1 2 2 2 1 1 2 1 2 4 8 3 4 20 50 5 1 2 2 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 75 74 m 1H | 72 71 dq 1H J 10 76 | 70 70 dt 1H J 9 77 | 37 36 d 2H J 10 | 28 27 m 8H | 26 26 p 1H J 32 | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2ncc(N)cn2)cc1OC(F)(F)F
ir: 1 2 9 7 11 14 11 6 7 5 2 3 1 1 2 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 0 0 1 0 0 0 1 1 1 2 1 1 1 1 1 2 1 1 1 3 1 3 9 5 24 17 7 3 6 1 1 0 1 1 1 0 1 1 6 2 8 1 0 0 0 1 0 0 0 1 1 1 24 6 1 1 1 0 1 1 1 1 2 3 6 15 4 1 2 7 2 8 1 8 2 1 1 0 1 4 2 1 0 0 1 1 1 1 1 0 0 0 1 2 3 2 3 15 2 1 0 0 0 0 0 0 0 0 0 1 1 2 12 8 1 1 1 1 1 10 3 2 5 18 60 100 1 3 1 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 3 5 8 2 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 1 27 8 2 0 0 0 0 0 0 0 2 5 42 4 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 2H | 71 71 dq 1H J 10 84 | 70 70 dd 1H J 23 85 | 65 65 d 1H J 23 | 38 38 s 2H | 22 22 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2ncc3c(n2n1)CC1CCCC3N1S(=O)(=O)c1ccc(Cl)cc1
ir: 3 2 16 3 10 2 4 3 5 2 8 33 4 29 7 2 3 2 14 32 6 4 63 3 2 13 2 6 2 3 3 8 5 6 1 3 4 1 1 2 2 1 1 6 6 1 3 3 2 1 3 4 6 4 54 2 5 1 2 5 11 0 20 9 2 1 4 7 2 18 9 79 30 53 14 2 3 7 6 65 6 3 0 37 74 3 2 61 1 25 7 14 37 17 7 3 7 51 7 37 16 4 3 1 2 2 2 3 4 4 5 13 7 3 1 2 3 15 2 3 6 5 25 20 4 7 4 3 2 9 24 2 1 4 2 1 1 1 1 1 1 46 4 4 11 21 4 14 12 4 3 6 5 2 2 3 100 5 3 66 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 4 2 3 2 2 2 3 9 19 4 45 26 35 35 10 8 4 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 1 1; 1HNMR: 86 86 d 1H J 16 | 77 76 m 2H | 75 75 m 2H | 65 65 s 1H | 44 44 td 1H J 18 59 | 40 39 p 1H J 65 | 32 31 dd 1H J 65 142 | 30 29 dd 1H J 65 142 | 22 21 s 2H | 21 20 m 2H | 19 18 m 2H | 18 17 m 1H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(N2CCCC2=O)nc1C=O
ir: 15 8 1 7 9 5 1 26 12 6 3 7 9 11 11 18 42 16 7 8 9 15 9 12 8 7 2 6 9 5 3 7 6 13 26 12 10 3 5 15 11 4 6 10 17 17 9 9 5 1 4 8 4 1 9 31 7 8 6 9 4 0 17 14 5 5 6 12 4 2 5 6 4 3 6 6 6 3 6 7 5 12 19 14 7 8 7 8 21 29 12 15 13 4 12 7 3 3 7 5 5 10 13 10 4 39 100 14 1 19 72 22 4 6 10 16 3 5 8 8 9 10 12 15 10 7 10 12 34 10 7 4 3 5 6 3 2 6 7 19 14 7 7 3 3 6 6 3 15 54 11 5 8 6 6 3 4 6 4 2 3 6 4 2 4 6 4 9 27 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 4 3 4 6 5 3 4 12 7 4 6 7 5 3 6 9 35 13 6 10 8 14 7 10 13 7 6 8 6 4 5 6 4 3 4 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2; 1HNMR: 96 96 s 1H | 76 76 s 1H | 39 38 s 3H | 38 38 t 2H J 51 | 26 25 dd 2H J 50 57 | 21 20 p 2H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(=O)N(C2CCCCC2)C1=O
ir: 4 7 3 2 1 1 2 2 2 1 1 2 1 2 2 1 1 1 1 1 1 2 4 2 1 2 2 1 3 4 1 1 1 1 1 1 2 3 5 4 79 100 4 18 7 2 1 0 7 6 1 1 1 11 9 4 2 2 2 2 2 2 2 2 5 4 4 1 2 3 1 1 2 2 5 5 2 4 3 1 2 2 1 1 2 2 4 5 7 3 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 3 2 3 4 4 2 11 4 4 3 3 6 4 0 6 6 4 6 16 15 3 7 6 2 2 2 2 6 7 2 2 2 2 3 10 9 2 2 2 2 2 2 1 13 9 3 2 2 1 1 23 13 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 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 2 2 1 2 3 9 4 5 4 2 1 3 2 2 4 16 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 44 43 p 1H J 66 | 41 41 s 2H | 29 29 s 3H | 20 19 m 2H | 18 16 m 4H | 15 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)NCCCCCC(=O)O
ir: 1 1 1 1 1 2 2 1 2 2 1 2 3 1 6 3 2 2 2 8 12 10 10 5 3 3 2 1 1 1 1 1 1 1 1 2 5 7 5 2 1 2 2 1 2 1 2 2 1 1 3 6 4 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 2 3 5 4 20 4 2 2 2 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 1 1 1 1 1 1 3 4 5 2 2 1 1 3 2 1 1 2 3 2 3 2 5 4 2 2 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 3 4 12 2 2 22 21 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 4 3 1 6 3 2 1 0 1 2 1 9 4 4 1 1 100 34 4 4 1 0 2 2 1 0 2 3 2 4 7 8 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 99 s 1H | 71 70 t 1H J 54 | 55 54 m 2H | 32 32 q 2H J 55 | 23 22 t 2H J 89 | 19 19 m 3H | 16 15 m 4H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1(C(=O)NC2CCc3cc(Br)ccc32)CC1)C(F)(F)F
ir: 5 2 2 0 0 0 0 0 1 2 1 1 0 1 1 1 4 4 8 0 0 1 2 3 4 2 4 3 4 6 4 4 3 5 4 4 11 9 26 43 16 33 19 9 8 9 2 3 8 5 2 2 3 4 6 1 1 0 1 2 3 1 1 1 0 1 2 8 1 1 2 3 5 3 2 6 3 1 1 1 3 1 1 1 2 5 7 2 2 2 5 7 3 4 12 3 0 1 26 5 5 1 1 1 1 0 1 3 5 3 10 5 11 19 1 2 4 9 6 2 7 4 3 2 2 2 2 1 1 1 1 0 0 1 1 0 0 2 3 5 68 1 3 16 100 35 54 20 10 58 14 9 2 3 2 3 1 1 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 1 3 4 9 2 3 5 3 7 26 9 5 7 9 2 2 1 2 1 1 1 1 3 4 3 1 4 9 8 6 21 17 21 19 43 43 16 13 9 2 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dt 1H J 8 20 | 75 74 dd 1H J 22 84 | 74 73 q 1H J 20 | 73 72 m 2H | 57 56 m 1H | 30 30 dddd 1H J 8 57 75 148 | 29 28 dddd 1H J 9 58 75 148 | 24 23 dddd 1H J 38 58 77 135 | 21 20 dddd 1H J 38 57 75 136 | 20 19 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CCN(Cc2ccccc2)CC1C
ir: 1 1 2 3 2 1 15 7 5 2 3 3 0 2 1 0 0 1 0 0 0 0 0 1 2 0 0 2 4 14 17 43 2 2 1 1 2 9 14 36 7 1 2 2 4 15 3 2 1 0 2 3 0 1 3 4 1 1 1 1 3 20 2 1 1 2 9 9 6 15 1 1 24 4 12 4 5 5 22 3 9 23 4 2 2 37 6 2 1 11 4 1 1 1 1 3 3 4 3 12 12 11 0 3 3 3 6 2 1 1 3 3 7 1 1 1 1 1 4 4 2 7 4 2 7 5 1 8 10 4 4 5 3 2 2 34 20 4 2 2 1 2 5 14 17 7 4 2 0 0 0 2 2 1 0 1 1 0 3 10 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 1 3 1 3 7 25 4 7 15 13 12 100 23 49 3 2 14 2 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 49 49 tt 1H J 11 20 | 48 47 tt 1H J 10 20 | 36 35 m 2H | 29 28 dd 1H J 43 111 | 28 27 qdd 2H J 34 57 119 | 26 26 dd 1H J 44 112 | 25 24 m 2H | 24 23 dddt 1H J 10 36 56 122 | 9 9 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1c(Cl)cc(Cl)cc1Cl
ir: 6 13 29 16 6 5 3 4 4 4 4 9 12 21 18 4 3 3 3 2 3 5 17 55 12 10 2 2 2 4 2 2 2 5 3 4 3 7 2 2 2 2 1 1 1 2 3 2 2 2 2 2 13 76 24 18 11 5 2 1 2 2 4 9 25 52 25 13 6 3 2 2 2 2 1 1 3 2 5 2 1 2 1 1 3 5 3 9 26 4 2 5 2 2 2 2 3 8 3 2 4 3 4 10 13 3 2 2 4 3 2 5 10 7 1 4 5 21 14 15 18 7 7 10 1 2 3 5 8 5 3 9 3 0 10 9 1 3 4 4 3 9 12 16 37 46 20 49 39 18 7 4 4 7 2 4 29 4 2 5 2 20 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 2 2 4 3 3 3 3 1 2 6 5 5 22 17 28 100 80 13 19 5 3 3 3 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 92 | 75 74 d 1H J 90 | 74 73 s 2H | 43 42 m 2H | 40 39 m 2H | 39 39 s 3H | 22 21 p 2H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(N)c(S(N)(=O)=O)c1
ir: 30 6 5 6 7 4 2 3 4 2 8 6 4 3 5 7 6 3 3 3 4 2 2 2 2 1 2 2 2 1 3 2 3 1 2 12 16 15 6 4 3 3 3 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 6 15 2 2 3 2 2 2 1 3 3 4 2 3 2 2 2 3 3 5 3 3 4 9 11 18 8 11 11 14 8 6 3 2 2 2 2 9 3 5 3 2 2 2 3 3 2 2 2 3 2 2 2 4 6 23 15 9 4 3 2 4 2 2 2 2 1 2 8 1 1 1 1 1 1 2 1 1 2 2 2 2 3 7 3 3 1 2 3 10 37 18 3 3 3 3 7 5 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 2 1 2 2 2 2 1 2 2 2 1 1 2 6 3 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 4 19 48 11 4 3 2 31 12 4 2 3 0 100 33 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 q 1H J 9 | 79 79 d 1H J 22 | 75 74 s 2H | 70 70 s 2H | 25 25 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1cnc(I)c(Cl)c1
ir: 2 2 3 2 2 4 3 17 0 5 7 3 2 4 4 2 2 2 4 3 1 3 3 1 1 3 3 1 1 3 6 2 2 17 17 35 7 31 29 3 4 3 3 2 3 3 4 2 2 3 3 2 3 3 5 4 3 6 9 12 11 11 8 5 4 8 9 57 14 6 5 9 8 4 5 6 9 33 16 13 9 22 7 4 9 12 9 3 5 3 2 2 2 4 5 2 3 2 1 3 3 2 1 2 2 2 1 2 2 2 1 2 3 3 4 3 7 9 9 10 9 15 72 11 6 5 1 11 6 2 1 3 3 2 1 2 2 2 1 4 31 4 2 2 2 2 2 2 2 2 2 1 3 100 2 5 2 1 20 20 4 0 2 4 2 0 2 3 2 0 2 3 2 0 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 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 3 5 7 9 27 11 8 4 4 6 4 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3; 1HNMR: 83 83 dd 1H J 7 16 | 78 78 m 1H | 54 54 dtt 1H J 7 14 22 | 34 33 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2ccsc2[nH]1
ir: 6 4 8 22 10 18 7 4 5 3 0 3 4 3 2 5 18 5 4 5 6 10 44 27 36 9 3 5 3 2 2 3 8 4 2 3 3 4 3 4 5 6 25 53 83 80 10 6 4 2 2 6 4 4 3 3 2 1 2 3 3 9 4 3 2 2 3 4 3 12 7 14 7 12 6 8 4 2 3 4 3 4 6 5 3 2 4 4 3 8 12 4 1 2 4 3 2 3 11 33 16 5 2 2 2 2 2 2 2 2 4 9 7 4 22 13 4 6 4 3 1 3 5 3 6 29 6 5 5 3 7 34 24 19 7 2 1 3 4 2 2 28 84 54 27 6 4 25 9 27 3 4 5 3 4 2 3 3 3 9 15 2 2 2 2 3 2 2 2 2 2 2 2 3 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 3 3 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 4 2 2 2 2 2 3 3 7 4 3 6 5 29 56 67 10 14 5 4 4 2 3 3 3 3 2 3 3 3 2 3 3 5 4 5 9 15 45 100 50 22 11 3 5 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 92 s 1H | 75 75 d 1H J 51 | 75 74 d 1H J 20 | 74 74 dd 1H J 22 51 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)CC1CC1
ir: 4 10 8 4 2 6 8 7 10 5 9 4 14 9 5 7 3 5 7 3 8 2 7 4 6 7 22 27 45 31 95 94 36 62 31 30 8 41 5 4 4 8 13 9 3 6 5 3 6 6 6 8 7 4 4 4 3 6 4 2 4 4 2 3 4 3 6 7 3 23 67 17 46 20 6 1 4 3 3 3 4 4 7 10 5 3 5 3 4 5 3 2 4 2 2 2 3 3 2 1 4 2 1 2 3 2 1 2 3 3 3 3 3 2 0 2 3 3 3 3 4 3 3 4 7 2 3 5 4 1 1 2 4 1 1 3 3 3 6 6 19 30 21 19 4 7 7 4 31 26 50 35 64 67 29 28 14 8 4 3 2 3 2 4 2 1 2 2 1 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 1 1 1 1 1 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 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 1 0 1 2 2 0 1 2 2 1 2 3 2 2 3 3 1 1 2 3 5 2 5 7 3 3 5 8 3 2 5 3 3 1 3 4 3 2 5 12 100 52 67 21 21 17 10 5 4 4 2 3 8 10 84 36 38 11 5 4 0 2 3 2 1 1 4 2 1 2 3 2 1 2 3 2 0 2 3 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 64 63 s 2H | 63 63 s 1H | 23 23 d 2H J 51 | 16 15 pt 1H J 51 62 | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1nc(C(Cl)Cl)cnc1N1C(=O)c2ccccc2C1=O
ir: 1 1 1 1 1 2 3 7 1 2 5 3 25 21 1 2 2 2 2 3 10 8 1 2 2 1 2 2 4 3 2 7 2 4 15 15 3 0 2 21 100 11 5 0 2 4 3 3 3 8 2 2 3 2 1 2 1 2 3 2 1 0 11 6 2 1 2 29 1 2 1 1 1 2 1 2 2 2 1 2 2 1 1 2 2 1 2 1 1 1 4 18 17 3 2 3 2 4 2 4 1 2 2 2 3 3 1 1 2 3 2 1 2 1 1 1 1 2 2 1 1 3 13 85 3 2 1 1 2 1 1 3 10 1 4 13 25 5 12 2 2 4 2 1 1 2 3 14 2 3 3 7 7 32 32 8 4 18 2 10 4 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 2 5 7 1 2 4 5 39 7 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 87 86 s 1H | 80 80 dd 2H J 31 50 | 78 78 dd 2H J 31 51 | 69 69 d 1H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSC1NC(=O)N(Cc2ccc(OC)nc2)C(=O)N1Cc1ccc(Cl)cc1
ir: 1 2 1 3 1 1 2 3 2 1 1 1 3 1 1 1 7 9 1 0 16 3 1 0 1 0 1 1 3 1 3 2 1 6 2 3 2 3 4 1 1 1 2 1 1 2 1 2 2 4 26 100 10 3 19 7 8 3 2 1 1 0 0 4 1 0 0 0 2 4 2 2 1 0 0 0 1 2 2 1 0 1 0 1 0 1 1 2 3 1 1 5 3 4 9 1 1 1 2 8 1 1 3 1 0 1 1 1 2 2 2 1 0 1 1 1 0 1 2 3 2 2 3 7 12 3 7 3 0 1 1 4 4 5 3 3 3 31 5 2 0 1 1 0 1 1 2 3 2 10 1 1 4 18 3 0 1 1 34 2 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 0 1 1 1 2 1 6 3 2 3 27 5 4 1 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 5 36 11 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; 1HNMR: 88 88 d 1H J 55 | 82 82 dt 1H J 9 19 | 75 75 ddt 1H J 9 18 86 | 74 73 m 4H | 68 67 d 1H J 85 | 59 58 d 1H J 55 | 51 51 d 2H J 9 | 49 48 dt 1H J 8 134 | 46 45 dt 1H J 9 133 | 40 39 s 2H | 28 27 dq 1H J 61 145 | 27 26 dq 1H J 61 145 | 13 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cc1ccc2sccc2c1)C[C@H](COCc1ccccc1)NO
ir: 23 18 18 15 4 23 4 2 1 1 2 1 1 1 1 0 0 2 2 8 2 1 1 1 0 1 3 1 3 16 5 4 11 1 3 1 1 3 6 9 13 13 3 6 4 7 5 2 2 1 2 4 3 11 12 9 12 3 2 1 2 0 5 15 4 9 16 26 8 43 4 2 12 3 2 1 4 5 3 1 1 1 2 3 5 54 1 8 4 8 4 2 13 8 11 46 20 5 5 4 2 1 1 1 1 1 1 14 21 11 0 3 6 12 3 1 1 2 1 2 3 11 7 2 11 8 7 10 9 9 7 5 6 4 4 5 4 4 6 5 1 1 3 12 2 3 1 2 1 12 1 2 1 2 4 1 1 0 0 0 1 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 6 8 5 1 3 1 3 3 4 52 12 24 100 14 12 34 6 3 3 4 26 7 6 2 0 2 2 2 3 7 7 42 26 4 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 78 78 td 1H J 10 22 | 78 77 d 1H J 27 | 77 76 d 1H J 77 | 75 74 d 1H J 53 | 74 74 ddt 1H J 9 20 79 | 74 73 m 6H | 57 56 dd 1H J 28 79 | 45 44 m 2H | 43 42 m 2H | 38 38 dd 1H J 61 107 | 36 35 m 2H | 34 33 dd 1H J 90 148 | 32 31 dd 1H J 90 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCC(Cl)C(=O)O
ir: 1 1 1 1 1 3 1 2 3 2 2 2 2 5 5 6 3 2 5 5 4 37 2 4 3 3 2 1 2 1 1 1 1 1 2 1 1 2 2 1 2 2 2 2 3 1 2 1 2 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 100 2 3 4 1 1 1 1 3 1 2 5 2 1 2 1 2 1 2 1 1 2 2 2 4 2 3 2 4 14 8 4 3 3 2 9 3 5 6 3 8 4 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 21 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 3 3 2 2 1 2 2 2 6 21 3 2 2 1 0 1 2 1 0 3 11 19 8 4 0 1 2 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 1 1 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: 43 42 t 1H J 64 | 22 21 dtd 1H J 64 88 128 | 19 18 dtd 1H J 64 89 128 | 16 15 dtt 1H J 72 88 143 | 15 14 m 1H | 14 13 m 1H | 13 13 m 1H | 13 12 m 20H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C
ir: 5 9 3 2 7 5 3 2 2 4 6 3 2 5 3 1 2 0 0 0 1 2 0 1 0 0 0 1 1 2 0 0 0 0 0 1 0 0 2 1 1 0 1 0 1 0 0 1 1 1 0 1 2 4 9 6 3 4 3 10 4 7 3 1 2 2 16 3 2 3 7 2 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 3 1 1 0 1 1 2 1 1 2 1 1 2 1 1 5 35 24 6 4 12 10 13 3 14 21 2 4 5 2 2 1 4 3 2 11 8 7 2 2 1 3 4 2 1 0 1 1 1 5 3 1 1 0 0 1 1 100 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 2 1 2 2 16 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 2 3 1 8 52 3 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; 1HNMR: 43 43 m 1H | 37 36 ddd 1H J 33 56 126 | 37 36 s 3H | 36 35 ddd 1H J 32 57 126 | 33 32 m 2H | 31 29 m 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(-c2cccc(NC(=O)c3cc4cccc(OC)c4oc3=O)c2)cc1
ir: 2 3 2 2 2 2 2 2 2 1 1 2 2 4 3 2 3 3 2 4 3 2 2 2 2 1 2 1 2 5 9 3 2 5 3 2 8 30 14 2 2 2 1 1 5 7 11 7 11 20 100 31 8 0 6 13 16 9 15 12 4 3 3 1 1 2 2 3 5 4 3 2 3 7 4 4 5 3 2 2 2 2 4 5 1 2 2 1 2 1 1 2 5 3 2 2 3 5 2 3 2 1 2 2 1 5 13 3 3 17 6 3 6 2 3 5 3 4 6 4 3 2 3 2 3 6 3 23 2 3 2 1 1 2 2 1 2 6 4 9 6 4 5 24 13 9 10 20 22 17 8 2 20 8 22 3 14 35 6 2 14 5 2 4 11 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 7 6 37 65 36 23 9 6 4 2 2 2 1 1 2 2 1 2 2 1 1 2 1 1 3 4 15 11 13 18 13 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 78 77 m 2H | 76 75 m 2H | 74 73 m 3H | 73 72 dd 1H J 79 88 | 71 71 dd 1H J 14 87 | 70 70 m 2H | 41 40 q 2H J 66 | 40 39 s 3H | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)cc1
ir: 4 9 4 2 1 1 3 4 1 1 2 2 1 1 6 10 4 2 1 1 1 1 8 3 2 2 1 1 1 4 13 6 1 1 1 5 10 8 2 1 1 14 11 0 1 3 2 1 42 100 2 5 2 3 15 30 17 5 1 2 1 1 3 2 1 0 1 2 1 3 2 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 4 22 7 4 2 2 15 2 1 1 3 2 3 6 42 7 1 3 3 2 6 21 5 1 1 2 1 1 2 9 4 3 3 2 3 3 7 20 10 3 6 25 3 1 1 1 2 5 2 29 31 2 61 2 2 1 7 4 3 1 1 3 3 4 3 4 13 1 4 10 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 11 10 32 19 10 2 2 2 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 2 2 9 45 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 25 | 81 81 dd 1H J 25 102 | 78 78 d 1H J 101 | 77 77 m 2H | 74 73 m 2H | 29 29 tt 1H J 63 73 | 13 12 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1
ir: 2 2 11 4 1 2 3 3 3 2 2 1 3 2 3 3 1 2 2 1 1 2 3 2 2 2 2 1 2 2 9 7 5 4 3 2 2 5 4 33 18 5 4 2 6 5 6 2 1 3 2 6 8 49 15 11 10 8 10 1 2 2 4 12 4 24 13 20 17 33 2 0 3 2 1 1 2 3 5 1 1 1 1 1 2 2 1 11 11 4 2 5 2 2 1 1 1 4 6 2 2 1 1 11 3 19 1 2 2 1 0 1 4 2 1 1 3 1 1 2 7 2 3 3 4 6 2 3 13 2 1 1 3 2 1 20 3 1 1 2 1 1 10 26 7 2 4 3 7 9 17 7 8 1 4 4 9 2 1 2 1 0 3 8 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 2 3 1 3 14 12 8 29 100 32 29 9 2 3 4 5 2 2 2 2 1 2 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 dd 1H J 46 79 | 74 73 m 7H | 72 72 dt 1H J 25 121 | 72 71 ddd 1H J 27 79 105 | 70 70 m 2H | 60 59 d 1H J 21 | 51 50 d 2H J 10 | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc21
ir: 3 6 2 4 9 5 8 4 7 5 5 5 3 8 8 4 12 12 3 3 10 3 4 4 4 3 4 4 14 3 3 5 6 6 12 5 2 15 32 34 17 25 51 2 2 2 2 1 2 2 3 3 6 5 20 5 7 0 4 2 3 3 3 10 4 2 9 2 6 12 12 5 2 5 4 3 2 1 2 4 5 5 4 1 2 1 1 5 2 14 5 3 4 19 2 5 5 4 3 3 1 2 2 1 1 3 4 6 14 9 7 7 3 2 4 2 5 3 2 3 14 4 7 4 8 7 4 6 2 2 4 3 2 5 11 5 9 9 14 3 5 10 9 13 41 27 12 8 7 52 18 2 5 9 6 3 2 8 12 7 2 4 6 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 1 0 1 0 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 4 4 3 6 2 4 5 3 3 7 9 12 9 22 100 51 12 4 4 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 4 4 18 16 18 44 14 9 6 8 3 2 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 81 dd 1H J 17 43 | 78 78 td 1H J 16 72 | 73 72 td 1H J 18 76 | 72 72 m 2H | 71 71 ddt 1H J 9 18 79 | 71 70 dt 1H J 9 90 | 67 67 dd 1H J 22 90 | 66 66 dd 1H J 10 21 | 66 65 ddd 1H J 14 44 72 | 64 64 dd 1H J 13 76 | 53 52 t 1H J 47 | 42 41 m 4H | 40 39 qt 2H J 10 101 | 37 36 m 1H | 35 34 td 2H J 47 67 | 32 31 ddd 1H J 8 83 150 | 30 28 m 2H | 27 26 dd 1H J 84 165 | 21 20 tt 2H J 57 67 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H]1CN(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)C(=O)O1
ir: 7 13 5 7 14 10 9 11 9 12 12 19 7 12 4 4 5 5 20 10 5 3 2 4 5 10 6 4 12 13 4 8 11 58 30 27 7 6 5 4 3 2 5 7 3 3 2 3 2 2 3 3 3 5 17 26 8 6 4 5 4 2 5 4 6 9 15 37 17 18 14 6 2 2 16 10 2 2 3 3 2 7 18 3 2 2 3 5 6 2 9 5 3 4 4 3 2 3 3 4 2 2 4 4 4 4 11 17 9 3 3 6 7 9 9 8 14 31 21 8 10 11 24 10 17 8 11 11 16 8 13 18 6 3 3 7 11 2 3 4 4 7 9 27 41 100 21 12 10 8 55 91 9 27 9 4 8 4 3 0 2 4 4 42 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 7 5 6 4 3 6 3 4 4 5 6 8 13 16 20 19 14 21 19 7 5 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 4 7 9 13 13 14 23 19 9 6 2 2 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 75 74 dd 1H J 21 121 | 74 74 dd 1H J 51 78 | 73 72 m 2H | 58 57 tt 1H J 9 34 | 47 47 m 1H | 42 41 m 3H | 38 37 m 3H | 36 35 ddd 1H J 41 68 133 | 34 33 ddd 1H J 41 69 134 | 30 29 tq 2H J 10 51 | 20 20 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(=O)O)(Cc1ccncc1)C(=O)OCC
ir: 1 1 0 1 3 4 4 2 1 3 1 4 4 4 2 1 2 3 1 3 3 8 6 10 3 1 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 4 4 2 1 3 2 5 6 4 1 1 1 1 1 0 1 1 2 3 1 0 1 1 1 0 1 2 3 1 1 1 0 0 0 0 0 0 1 2 11 3 1 1 2 1 4 1 1 0 0 2 2 0 1 1 1 1 1 1 2 2 1 1 1 0 1 1 0 0 1 2 3 6 4 2 2 1 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 1 1 1 2 4 1 3 2 4 1 1 1 0 1 1 0 13 100 6 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; 1HNMR: 86 85 m 2H | 72 71 dt 2H J 9 42 | 42 41 m 4H | 34 34 d 2H J 9 | 31 30 s 2H | 13 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(CCCC(CCCCCCC(=O)OCC)SCCO)OC(C)=O
ir: 2 3 3 1 2 4 2 2 1 2 4 1 1 1 2 1 1 1 1 1 4 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 2 1 2 1 1 1 0 1 1 1 1 1 0 0 1 1 1 0 2 3 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 5 8 5 4 3 2 2 8 3 2 2 1 1 3 10 6 5 4 4 7 3 3 5 2 2 2 4 4 4 5 4 2 4 4 5 4 6 4 6 3 2 1 2 3 1 1 1 1 1 2 1 1 1 1 0 1 1 2 3 64 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 3 3 4 3 3 2 3 3 3 4 7 17 7 2 0 1 1 1 0 1 2 6 100 4 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; 1HNMR: 47 46 p 1H J 60 | 42 41 q 2H J 66 | 37 36 m 2H | 28 27 m 2H | 27 26 dt 1H J 48 139 | 25 25 t 1H J 54 | 23 22 t 2H J 85 | 20 20 s 2H | 18 16 m 4H | 16 15 m 4H | 15 15 m 1H | 15 14 m 2H | 14 14 td 2H J 16 45 | 14 13 m 2H | 14 13 m 5H | 13 12 m 5H | 13 12 t 3H J 66 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CC(C)C)OC(c1ccncc1)c1ccc(Br)cc1
ir: 9 9 6 7 12 7 4 14 20 52 33 35 0 10 14 10 7 12 8 5 5 6 9 5 9 12 11 12 7 11 25 13 10 13 8 32 5 6 5 7 5 6 9 7 6 6 8 12 9 6 14 8 11 35 38 9 25 26 9 5 7 7 6 66 10 9 6 7 12 16 32 26 17 21 12 19 11 13 10 9 8 9 8 8 7 6 12 7 12 18 9 15 25 8 7 8 16 14 19 8 6 6 6 6 6 7 9 10 16 10 12 27 20 12 7 9 10 11 13 17 31 8 8 13 25 12 8 20 10 8 7 7 6 6 6 7 6 5 5 6 6 5 8 11 21 10 29 28 9 6 6 6 10 5 5 6 5 5 5 10 17 10 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 7 5 6 6 6 7 7 6 6 7 8 8 10 18 34 14 23 100 21 15 8 10 7 7 7 5 5 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 86 86 m 2H | 75 74 m 2H | 73 73 m 4H | 59 59 m 1H | 43 42 m 1H | 37 37 s 2H | 19 18 m 2H | 16 16 m 1H | 10 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CN=C2NCCCN2C1
ir: 1 2 3 3 5 3 6 22 48 34 28 17 6 9 12 4 3 3 4 1 1 7 3 7 2 2 2 1 1 2 3 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 3 0 1 2 1 0 1 2 1 0 2 4 3 1 4 5 1 4 6 3 1 1 1 2 1 1 9 14 3 1 1 2 1 1 1 2 1 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 3 2 6 4 3 2 0 2 4 3 1 11 1 4 5 4 4 1 1 3 7 1 1 5 3 2 3 22 16 20 3 3 2 1 1 1 2 1 1 2 1 1 2 3 2 1 8 100 14 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 4 2 2 2 1 1 2 2 3 5 3 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 3 2 12 17 38 18 9 4 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 68 68 t 1H J 40 | 34 34 m 2H | 34 33 t 2H J 42 | 33 33 m 4H | 19 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OCC(F)(F)F)cn1
ir: 2 3 15 9 7 6 6 3 3 3 5 5 6 4 6 16 7 3 2 1 1 2 2 1 1 3 6 5 3 2 3 16 52 84 23 1 1 5 7 60 11 5 2 2 1 3 2 1 2 5 10 37 26 30 17 8 6 7 5 3 9 20 8 5 5 10 53 29 38 52 44 20 17 26 11 3 8 5 2 5 3 2 1 1 3 4 3 11 9 32 42 19 15 5 4 7 5 4 5 4 13 23 27 12 52 31 21 15 16 5 1 2 6 2 1 2 5 4 4 6 8 16 11 18 9 6 17 35 19 12 10 4 5 4 5 14 80 68 10 7 6 2 1 2 2 1 3 3 10 23 11 5 5 4 3 3 3 4 2 7 55 8 2 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 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 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 0 0 1 1 1 1 2 2 0 1 2 1 1 2 4 4 1 2 5 7 5 4 4 10 3 3 5 4 6 9 12 19 70 100 23 8 8 6 7 3 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 80 d 1H J 19 | 71 71 m 1H | 70 70 dd 1H J 19 83 | 48 47 q 2H J 130 | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C(C)=NO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21
ir: 5 5 6 27 12 5 4 8 3 5 4 2 11 13 10 11 6 7 6 5 4 6 5 3 3 2 3 4 3 6 4 5 12 18 10 8 2 6 9 1 21 10 5 5 3 4 3 1 5 1 9 4 8 9 40 6 10 18 15 9 4 1 5 3 2 4 11 6 15 19 7 7 12 31 5 5 9 11 3 3 6 12 4 3 4 6 4 84 15 4 9 7 4 3 6 11 8 18 18 25 9 9 14 20 37 17 13 7 5 3 0 5 13 5 2 4 10 4 5 8 8 5 25 11 9 9 9 7 4 3 2 2 2 7 17 13 6 7 6 2 9 11 12 4 3 32 3 6 6 10 3 4 2 2 6 4 2 1 20 5 3 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 4 3 3 2 3 2 1 2 2 2 2 5 5 16 16 21 12 41 51 25 25 11 15 4 4 5 24 10 1 3 2 1 2 2 1 1 1 2 2 1 2 3 3 6 10 100 4 6 4 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 87 87 s 1H | 75 74 m 1H | 74 73 m 4H | 73 72 m 3H | 72 72 d 1H J 49 | 70 69 d 1H J 51 | 30 30 s 3H | 27 26 dq 1H J 70 126 | 24 23 dq 1H J 70 128 | 21 20 s 3H | 10 10 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)n1ccc2cc(OCc3ccccc3)ccc21
ir: 1 1 2 3 2 2 2 2 1 2 1 1 1 1 2 7 6 2 1 2 4 3 4 14 19 3 3 1 0 11 14 3 2 1 1 2 2 3 3 3 3 4 2 1 1 1 1 1 1 1 1 1 3 4 10 9 1 1 1 1 1 4 2 2 1 1 5 11 5 4 1 1 1 2 2 1 12 100 4 3 1 0 1 1 1 0 3 1 1 3 2 1 1 1 1 1 1 3 10 4 1 1 1 3 4 1 2 1 0 1 1 1 0 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 2 3 7 3 2 2 11 12 1 3 28 48 2 3 3 10 2 2 4 7 2 11 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 8 15 17 15 10 5 3 3 2 0 9 30 20 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 83 | 75 74 d 1H J 53 | 74 74 dq 2H J 10 65 | 74 73 m 2H | 73 73 m 2H | 70 69 dd 1H J 24 82 | 68 67 dd 1H J 23 53 | 51 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CNC(=O)OC(C)(C)C)CNC2=O
ir: 7 5 4 3 1 6 5 4 3 3 4 2 2 3 5 3 2 3 11 6 21 7 9 3 2 9 20 26 17 22 6 3 15 8 4 2 2 5 3 2 2 4 4 1 1 3 2 2 1 2 2 1 2 7 3 19 3 4 2 1 2 4 2 2 3 2 2 7 9 4 2 1 4 2 2 2 2 2 2 1 2 2 1 5 3 3 2 4 3 2 1 2 7 2 2 3 7 5 3 2 2 2 1 2 2 2 1 2 2 2 4 2 2 2 2 5 3 5 6 9 11 4 4 6 9 2 1 2 4 8 8 5 9 10 5 4 3 2 1 5 2 2 5 3 17 25 9 5 5 12 6 11 30 5 2 1 2 100 0 4 4 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 2 2 2 2 3 2 1 2 3 2 3 23 5 14 6 6 5 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 3 2 5 3 16 10 18 62 7 6 4 3 3 2 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 t 1H J 54 | 76 76 d 1H J 21 | 74 74 dd 1H J 20 84 | 74 73 d 1H J 84 | 61 60 t 1H J 66 | 47 46 d 2H J 53 | 44 43 d 2H J 67 | 25 25 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C[C@@]12CCc3cc(O)ccc3[C@H]1[C@@H](CCCCCC)C[C@@]1(C)[C@H]2CC[C@@H]1O
ir: 2 2 1 1 1 2 1 1 2 1 2 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 7 2 4 2 2 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 2 1 2 2 2 2 4 34 7 4 6 8 4 3 3 4 3 5 2 3 5 2 1 2 2 1 1 2 1 2 2 2 3 2 2 2 2 2 1 2 2 1 2 2 2 1 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 2 2 2 2 4 2 1 1 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 3 2 1 1 2 2 1 2 2 2 1 1 2 4 2 2 4 4 1 4 5 4 1 2 3 2 0 5 100 52 5 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 70 70 dd 1H J 7 83 | 66 66 dd 1H J 21 83 | 65 65 dt 1H J 9 20 | 64 64 s 1H | 58 57 m 1H | 51 50 dd 1H J 24 159 | 49 49 dd 1H J 24 106 | 38 37 dddd 1H J 13 20 40 61 | 29 28 dddd 1H J 8 34 60 145 | 28 27 dddd 1H J 9 35 60 145 | 27 26 m 1H | 21 20 dddd 1H J 9 34 60 132 | 20 17 m 6H | 16 15 dddd 1H J 40 64 82 132 | 15 14 m 1H | 15 14 m 1H | 14 13 m 3H | 13 13 m 1H | 13 13 ddt 4H J 8 18 27 | 13 12 m 3H | 10 9 s 2H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc2nn1
ir: 1 1 1 1 0 0 0 0 1 0 1 1 1 3 5 3 2 3 2 2 5 2 2 2 3 5 0 1 1 0 0 3 1 1 2 1 5 0 4 100 10 14 7 5 5 4 3 2 2 1 3 6 8 27 10 4 9 4 1 1 1 2 1 0 1 2 19 5 2 1 3 1 1 2 1 1 2 4 1 1 2 1 1 1 1 1 2 0 1 2 1 1 1 1 1 1 3 4 0 22 11 2 4 2 2 2 2 1 0 2 2 3 40 15 2 1 2 1 1 3 2 3 3 3 2 3 11 7 1 1 1 0 1 1 1 1 1 0 0 7 2 1 12 7 0 2 3 7 9 0 29 99 6 2 1 19 3 2 1 4 21 2 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 1 1 1 1 1 1 1 1 1 2 6 1 8 74 28 9 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 4 5 8 15 45 18 3 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 78 77 dd 1H J 14 78 | 76 75 m 5H | 74 74 dq 2H J 9 73 | 70 69 t 1H J 52 | 41 41 dt 2H J 9 53 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1CC(C)(C)NS(C)(=O)=O
ir: 1 1 2 2 2 20 4 2 2 1 2 2 7 2 1 1 1 1 1 1 1 1 2 1 2 3 1 2 2 5 4 2 5 7 4 25 6 15 4 9 14 2 1 2 1 1 1 1 1 2 6 2 1 10 6 1 1 5 2 2 1 1 2 6 2 8 1 3 6 6 3 2 5 24 11 1 0 1 2 3 1 0 1 1 2 1 10 11 35 71 12 2 4 4 10 26 10 5 6 2 1 1 1 1 1 1 1 2 0 1 0 1 2 2 1 1 1 4 4 12 8 15 30 6 5 4 5 7 2 5 2 2 6 3 4 10 4 2 2 3 7 1 1 3 2 2 2 0 0 1 1 2 1 1 4 1 2 15 3 1 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 1 0 2 2 1 1 1 3 1 1 6 30 100 19 13 8 24 9 4 2 2 1 1 1 1 1 1 0 1 1 8 2 1 1 1 2 57 11 22 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; 1HNMR: 78 78 d 1H J 89 | 74 73 m 6H | 73 73 m 1H | 71 70 dd 1H J 27 88 | 64 64 s 2H | 53 52 s 1H | 51 50 t 2H J 9 | 46 46 s 2H | 42 42 s 2H | 36 36 q 2H J 60 | 31 30 s 3H | 15 14 s 5H | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C4CC(C)(C)C4)nc3)ncn2)cn1
ir: 1 1 1 4 4 8 5 2 1 4 3 2 5 2 3 1 1 1 2 1 1 2 2 2 1 3 4 3 2 2 3 2 2 3 12 10 18 11 5 3 1 2 3 1 1 2 2 0 1 2 5 6 14 18 12 38 20 18 7 3 5 3 2 10 8 6 2 1 2 4 10 2 1 2 1 1 1 3 3 0 1 1 1 2 2 2 1 2 4 4 6 4 8 4 3 1 2 2 1 2 7 4 1 1 2 3 2 1 2 1 0 1 1 3 2 1 2 1 1 2 2 2 0 3 4 1 0 7 2 1 1 2 3 1 0 1 3 2 1 1 2 1 6 14 16 4 5 4 2 1 51 25 100 12 20 24 11 2 3 3 2 83 18 6 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 3 6 12 17 6 6 3 7 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 5 14 73 21 3 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 93 93 s 1H | 84 83 d 1H J 14 | 83 83 d 1H J 18 | 82 81 s 1H | 76 76 s 1H | 73 73 d 1H J 83 | 72 72 dd 1H J 20 84 | 70 69 d 1H J 14 | 39 39 s 3H | 26 25 p 1H J 54 | 20 19 dd 2H J 54 126 | 18 17 dd 2H J 54 127 | 10 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H](c1ccccc1)c1cccc2ccccc12
ir: 4 4 6 4 4 3 2 6 4 3 8 6 5 2 2 5 19 6 2 1 3 4 1 1 3 1 1 2 5 3 7 13 15 5 4 5 3 8 11 9 10 70 33 9 16 27 15 14 5 13 8 1 2 1 2 1 2 1 2 1 1 1 2 3 2 3 1 2 7 14 6 8 3 2 4 14 4 9 13 6 5 5 7 25 25 73 53 24 24 29 9 9 5 24 9 5 12 9 4 2 3 2 0 3 3 10 14 4 4 7 3 4 3 2 1 3 2 3 5 5 7 6 4 4 5 2 2 2 2 1 0 2 5 4 13 23 23 9 9 2 5 3 13 35 22 10 15 22 25 2 3 17 58 19 2 1 1 6 7 8 2 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 2 1 2 2 4 2 4 3 2 4 5 12 49 87 100 40 38 24 7 4 3 15 40 27 4 4 2 1 0 1 1 0 0 1 0 1 1 0 1 4 1 1 2 1 1 1 1 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: 81 80 dd 1H J 14 79 | 78 78 m 2H | 76 75 ddd 1H J 14 71 81 | 75 74 m 2H | 74 74 dd 1H J 12 77 | 74 73 m 5H | 60 60 dd 1H J 9 54 | 30 29 d 1H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CNc2ccccc21)c1ccc(Cl)s1
ir: 3 3 1 2 2 2 0 2 4 2 2 3 4 3 1 5 3 1 0 3 5 2 3 18 8 2 1 2 2 2 1 4 1 1 1 6 2 1 2 3 6 4 75 6 1 3 2 4 1 2 1 2 2 3 1 1 1 1 1 2 4 3 1 1 1 1 1 2 1 2 1 1 1 1 4 3 1 0 4 1 1 1 1 7 2 1 3 7 2 1 5 1 1 1 1 5 1 1 1 1 1 1 2 3 30 5 3 5 2 1 6 3 1 3 18 5 1 2 6 3 3 4 2 3 9 3 2 2 1 2 2 15 12 10 10 4 2 3 4 15 13 9 3 61 13 3 45 10 1 4 32 10 2 3 2 1 2 15 2 10 7 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 1 1 1 1 1 2 1 2 3 4 3 3 3 7 25 17 40 8 3 2 1 1 2 1 1 2 2 2 1 3 4 4 6 3 5 3 8 14 26 100 20 6 7 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 75 75 ddd 1H J 7 15 82 | 74 74 d 1H J 68 | 73 73 d 1H J 68 | 71 71 td 1H J 14 80 | 71 70 d 1H J 68 | 70 69 m 1H | 68 68 dd 1H J 14 81 | 51 51 dtd 1H J 7 24 68 | 41 40 ddd 1H J 22 45 128 | 38 38 t 1H J 45 | 38 37 ddd 1H J 22 44 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)C2(CCCC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)cc1
ir: 3 3 5 5 7 2 2 4 6 10 7 4 11 14 4 10 6 3 2 2 4 2 2 3 5 8 2 4 3 1 1 5 16 2 6 6 3 2 3 5 4 1 3 9 5 6 14 24 7 10 5 6 3 15 10 19 13 9 5 3 3 8 12 2 3 1 3 3 7 13 5 6 5 1 3 4 2 3 4 3 2 18 5 22 9 15 8 9 3 4 3 2 2 14 16 6 2 2 2 2 2 2 4 8 5 2 3 2 1 2 3 2 1 4 5 6 5 3 7 5 15 6 6 6 3 13 3 2 2 2 2 1 1 2 2 1 1 2 2 2 2 11 10 4 3 11 4 9 4 6 4 4 5 4 3 0 2 79 100 8 9 2 2 3 2 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 3 3 3 3 2 4 5 6 10 27 31 19 4 4 3 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 3 3 13 89 13 0 4 3 1 2 4 3 1 1 3 4 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 100 99 s 1H | 79 78 m 2H | 74 74 m 4H | 73 73 m 2H | 28 27 m 1H | 26 25 m 2H | 25 24 m 1H | 24 24 d 3H J 10 | 20 19 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)c2cccc(Cl)c2)ccc1O
ir: 2 2 1 2 3 2 1 1 2 2 1 2 2 3 2 2 1 2 1 2 2 2 2 2 2 1 1 1 1 2 1 1 1 3 4 4 2 25 9 25 5 2 4 9 2 1 2 7 7 5 1 2 2 7 6 9 5 5 2 1 1 1 1 2 3 5 4 6 5 6 7 6 4 1 2 3 3 10 19 22 18 8 2 3 6 5 3 3 3 10 24 19 4 1 1 2 1 2 2 2 2 2 3 1 2 1 1 1 1 1 1 1 2 1 0 6 29 10 16 6 1 2 4 3 3 10 12 8 2 4 5 9 2 1 1 1 1 2 2 7 11 18 9 4 5 4 2 1 1 5 7 14 3 3 4 5 1 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 2 1 1 2 2 1 1 2 2 1 2 3 3 2 7 24 34 77 20 9 5 6 3 0 40 100 86 16 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 t 1H J 21 | 77 77 ddd 1H J 12 21 79 | 76 76 m 2H | 76 75 t 1H J 80 | 74 74 ddd 1H J 13 22 81 | 72 72 s 1H | 69 68 d 1H J 90 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(CN1CCC2(CC1)CCN(C1=C(C)C(=O)OC1)C2=O)c1ccc2c(c1C)COC2=O
ir: 5 12 14 7 6 4 4 3 5 6 23 2 4 1 2 2 2 3 2 2 2 2 4 5 6 10 2 2 1 3 2 13 36 24 14 8 9 4 5 3 3 5 7 25 8 5 7 19 15 18 20 6 6 4 6 19 9 6 2 4 5 12 3 16 6 8 6 6 10 21 6 4 16 3 2 3 5 4 4 4 7 45 29 11 8 4 4 3 3 1 2 2 3 2 3 3 3 3 4 6 9 17 1 11 15 8 10 7 5 5 0 10 13 11 23 18 31 32 48 14 8 21 11 12 23 4 6 7 13 16 13 15 6 5 3 2 4 7 12 8 5 14 27 24 7 2 4 9 12 47 3 4 2 2 17 2 12 1 1 2 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 4 2 2 3 3 3 4 27 16 7 21 9 2 5 2 1 2 1 1 2 2 1 1 1 1 1 2 3 3 12 39 100 6 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 d 1H J 92 | 72 71 m 1H | 53 53 s 2H | 48 48 q 2H J 9 | 40 39 m 1H | 39 38 dq 1H J 48 70 | 37 36 m 2H | 30 29 m 3H | 28 27 ddd 2H J 41 69 125 | 26 25 dd 1H J 46 119 | 24 24 s 2H | 24 23 dd 3H J 15 49 | 22 21 ddd 2H J 40 68 126 | 20 20 m 2H | 19 18 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(Nc2cnn(C)c2)nc1NC1CN(C(=O)CC#N)CC12CCCC2
ir: 0 2 5 9 7 3 4 7 4 12 4 4 17 9 6 5 9 5 4 4 4 6 7 11 20 2 9 7 9 6 3 1 9 3 6 4 24 71 36 8 10 4 5 8 5 2 4 2 1 1 1 0 1 4 3 2 2 2 3 4 2 2 2 2 3 7 7 6 10 4 2 1 2 3 2 1 1 1 1 1 1 4 2 5 2 2 1 11 4 2 10 6 3 8 3 1 4 4 2 2 8 2 1 2 1 3 12 34 7 3 1 2 6 6 2 5 10 10 2 8 8 6 10 12 4 3 6 3 42 27 6 3 4 4 15 3 2 9 2 2 2 12 27 13 9 0 3 100 7 4 23 3 19 17 4 5 4 27 2 2 2 58 7 3 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 40 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 1 2 3 1 3 3 2 1 3 2 4 3 19 16 2 2 2 10 9 5 2 2 1 2 2 2 1 1 1 1 2 3 5 3 2 4 7 10 12 24 47 25 32 10 3 1 1 8 1 1 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 s 1H | 80 80 d 1H J 9 | 73 73 d 2H J 78 | 63 62 d 1H J 71 | 44 43 dt 1H J 29 71 | 39 38 m 1H | 39 38 s 3H | 38 38 s 2H | 36 35 m 3H | 24 24 s 3H | 19 17 m 4H | 17 16 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)C(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1
ir: 2 3 2 2 1 3 1 4 5 12 5 3 1 3 6 3 10 7 10 8 8 7 8 4 2 3 4 3 6 6 14 12 12 9 19 17 13 16 63 46 33 32 33 13 21 13 18 3 5 3 9 14 12 3 7 8 19 3 3 4 3 7 4 1 5 4 6 6 7 7 6 2 5 4 2 4 2 3 5 3 2 11 5 4 12 6 5 4 15 10 9 19 17 5 3 4 4 4 6 3 2 2 1 1 4 5 3 3 2 2 1 2 9 3 13 6 24 8 9 10 7 6 3 10 10 4 4 3 6 11 4 9 11 9 29 26 18 6 5 7 16 41 23 49 38 14 18 11 44 17 6 9 5 28 8 2 2 1 4 2 3 1 5 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 5 17 13 5 7 12 62 100 53 17 12 9 5 3 1 2 2 2 1 1 2 4 2 1 1 2 3 1 4 4 1 26 51 38 4 3 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 d 1H J 90 | 77 76 m 2H | 75 75 m 2H | 74 73 m 3H | 60 60 m 1H | 42 41 d 2H J 55 | 30 29 m 1H | 30 29 s 6H | 15 14 m 1H | 9 8 m 2H | 7 7 m 2H | 6 5 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(C)(C)OC(=O)CCc1cc(Cl)c(C=O)c(Cl)c1
ir: 17 6 8 5 3 6 3 7 12 10 17 8 9 12 13 5 3 3 2 6 5 11 7 8 6 7 3 4 3 7 4 6 2 1 6 6 4 3 22 5 4 4 5 5 3 2 3 5 4 4 5 5 4 5 3 7 7 7 10 13 11 5 8 15 24 18 8 30 29 25 8 5 3 1 2 2 1 1 1 1 1 2 2 1 2 3 3 1 2 2 2 4 3 7 16 71 40 6 10 4 4 7 4 9 18 12 13 14 26 9 13 11 5 12 15 13 20 10 6 18 14 16 21 16 34 25 9 11 14 34 32 15 12 12 8 4 6 2 2 2 2 5 10 19 94 75 29 6 2 3 3 1 5 5 6 11 10 7 6 7 100 74 3 5 2 0 1 2 1 0 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 6 9 7 4 7 7 4 3 4 6 4 8 5 35 31 32 51 46 29 5 6 5 5 6 2 4 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 d 2H J 9 | 30 29 tt 3H J 10 75 | 27 26 t 2H J 74 | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(I)cc(OC)c1
ir: 8 8 2 3 5 4 3 3 4 4 3 4 5 3 2 5 7 11 23 12 2 5 3 4 3 2 2 2 2 4 25 15 13 1 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 4 3 0 2 4 2 0 2 4 4 1 3 6 10 3 26 71 22 10 9 8 4 5 3 5 2 1 2 2 1 1 2 2 2 11 4 3 3 6 8 12 2 2 3 2 1 2 2 2 1 2 3 2 2 2 4 30 4 2 4 2 1 2 4 4 30 72 45 16 4 3 5 3 3 16 19 15 7 5 3 2 1 2 2 2 2 2 2 2 2 2 2 5 7 81 49 0 2 5 5 6 22 5 3 1 2 6 9 6 3 4 3 2 2 3 2 0 2 3 2 0 2 4 2 1 2 3 2 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 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 2 2 4 3 3 5 4 7 14 34 100 45 7 18 7 4 2 3 4 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 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 79 t 1H J 21 | 75 74 t 1H J 22 | 72 72 t 1H J 22 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1cnc[nH]1
ir: 9 4 0 5 11 4 2 7 16 6 19 27 24 5 4 6 7 3 2 6 7 2 48 15 8 2 2 8 6 2 2 7 7 3 6 38 47 18 5 8 6 3 4 16 23 40 4 12 9 2 8 12 11 5 14 25 41 6 7 10 5 2 7 22 20 19 12 10 10 2 6 11 3 2 30 24 6 4 7 8 4 3 8 10 9 14 100 51 44 43 75 48 27 9 14 10 9 38 43 24 45 19 12 9 8 37 32 9 2 4 8 8 5 9 12 12 6 13 28 20 11 7 8 5 5 13 12 24 19 14 20 8 6 29 37 7 2 6 7 2 5 7 7 2 2 6 6 2 3 6 5 1 3 7 5 1 4 6 5 1 3 7 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 1 3 7 5 2 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 2 2 5 5 3 3 6 5 2 3 6 6 3 6 10 9 6 9 13 12 5 6 10 7 6 11 22 42 26 6 12 27 80 64 17 8 2 10 21 55 54 41 14 26 54 16 12 6 5 8 7 3 3 5 5 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 1; 1HNMR: 77 77 dd 1H J 16 57 | 71 71 dt 1H J 8 17 | 39 38 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@]1(O)CC[C@@]2(CC)c3ccc(C(=O)OC)cc3CCC[C@H]2C1
ir: 16 6 5 4 6 10 21 10 2 5 3 10 8 2 2 1 1 2 8 5 2 7 4 7 6 5 1 4 4 1 2 1 1 1 1 1 2 1 2 2 2 4 4 3 3 3 5 3 1 1 0 2 3 2 3 6 15 3 4 4 3 3 3 1 8 1 40 2 5 8 5 6 5 6 26 18 52 100 17 11 8 17 10 20 5 4 3 2 3 7 0 9 13 9 11 7 6 6 17 3 4 3 2 5 5 5 5 7 5 4 1 6 4 12 8 16 10 38 57 31 18 12 12 11 8 13 6 5 7 4 2 3 4 2 3 3 2 4 6 5 4 2 4 3 4 7 82 4 4 1 1 2 1 17 3 0 0 8 4 1 1 0 0 1 2 2 0 0 0 0 0 0 0 0 0 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 2 2 2 1 3 3 5 5 6 6 9 9 9 6 10 9 15 22 32 26 25 32 8 4 4 20 38 10 3 2 2 0 2 2 1 1 1 2 1 0 1 1 0 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 19 85 | 77 77 dt 1H J 9 20 | 73 72 d 1H J 85 | 39 39 s 2H | 29 28 m 2H | 27 27 s 1H | 20 19 m 2H | 19 18 m 2H | 18 18 m 1H | 18 17 m 4H | 17 14 m 8H | 14 13 m 1H | 10 9 t 3H J 73 | 8 8 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccccc2c1CNc1cnn(C(C)C)c(=O)c1Br
ir: 5 3 3 3 6 4 1 3 5 2 4 25 45 28 33 10 18 12 20 90 36 11 8 6 3 5 12 11 9 6 3 4 3 4 3 3 4 2 2 3 3 4 13 8 3 3 3 7 68 14 3 3 8 12 33 11 4 5 5 6 6 3 5 5 2 1 5 12 9 1 3 4 3 5 12 8 5 8 3 4 2 2 2 3 1 1 3 3 1 1 5 15 12 6 8 7 4 3 2 4 3 2 3 4 2 4 9 41 7 3 3 5 5 15 4 6 17 23 14 13 3 2 5 9 15 26 54 23 4 4 7 6 27 7 22 9 5 4 3 1 2 2 2 1 2 4 3 13 16 17 54 20 2 4 3 11 13 14 21 19 6 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 2 3 2 2 2 2 3 4 4 7 19 10 41 76 38 11 9 4 3 2 3 3 2 1 2 2 2 1 2 2 2 2 3 4 6 7 14 10 33 100 20 9 6 4 9 4 2 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 m 2H | 78 77 d 1H J 85 | 75 74 m 2H | 72 72 s 1H | 70 69 d 1H J 84 | 69 68 t 1H J 55 | 49 48 d 2H J 57 | 46 45 dq 1H J 68 137 | 38 38 s 3H | 14 14 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3cc(C)c(C)nc3-c3ccc(C)cn3)ccnc2cc1OCC1CO1
ir: 3 2 3 4 9 7 3 4 4 4 5 4 3 3 4 2 3 6 14 2 3 4 7 4 5 6 4 9 15 10 11 10 11 14 46 28 34 13 25 33 6 14 9 4 5 5 3 2 4 5 25 9 15 24 15 9 4 2 2 3 5 7 8 13 13 13 18 16 28 54 36 4 12 25 18 11 12 7 5 6 7 6 2 1 2 2 1 3 5 8 4 2 13 6 3 2 4 20 13 5 5 3 3 2 4 5 3 3 1 1 2 2 5 3 4 10 5 3 6 7 9 4 3 13 15 5 6 7 9 6 11 7 3 5 22 38 16 10 6 9 3 1 2 3 6 14 23 43 8 3 6 6 8 3 5 17 39 22 59 100 28 14 5 5 1 0 10 16 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 3 1 1 2 2 1 2 2 4 3 5 2 6 2 27 8 49 52 77 19 6 6 3 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 49 | 84 84 m 1H | 78 78 d 1H J 85 | 76 76 s 1H | 74 74 m 1H | 74 73 s 1H | 73 72 s 1H | 70 69 d 1H J 48 | 43 43 dd 1H J 33 115 | 41 40 dd 1H J 32 114 | 39 38 s 3H | 34 34 p 1H J 30 | 29 29 dd 1H J 29 77 | 28 27 dd 1H J 28 76 | 24 24 s 3H | 23 23 d 3H J 10 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(O)CNC(=O)c1cccnc1SCCCc1ccc(F)cc1
ir: 3 2 1 5 4 2 3 1 3 2 0 2 1 3 1 2 2 2 4 3 1 2 1 1 5 4 1 1 2 5 1 1 2 3 2 4 2 1 11 18 3 3 8 6 6 4 2 3 1 3 1 1 1 1 3 9 4 1 1 1 1 4 4 5 1 1 1 1 2 3 2 1 1 1 1 0 1 0 5 1 1 1 0 0 2 2 3 3 5 9 5 3 2 4 4 4 1 2 1 1 1 2 1 2 1 1 3 2 1 0 1 2 3 1 1 1 2 2 4 2 3 2 2 2 5 35 3 4 4 2 2 2 4 2 1 1 2 2 1 7 4 3 1 1 5 15 11 13 2 2 15 13 2 4 31 3 4 6 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 2 3 2 1 1 2 1 1 1 2 7 8 3 9 23 10 4 9 26 61 100 25 38 30 9 7 3 2 3 2 1 1 3 1 1 1 3 6 18 5 6 4 2 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 21 39 | 79 79 dd 1H J 21 76 | 75 74 dd 1H J 39 76 | 72 71 m 4H | 71 70 m 2H | 36 35 ddd 1H J 55 65 132 | 34 33 ttd 2H J 13 26 41 | 32 31 m 3H | 28 27 tt 2H J 9 77 | 20 19 p 2H J 74 | 10 9 d 6H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1c2ncc(COc3cccnc3)cc2C(=O)N(C)c2ccc(Cl)nc21
ir: 2 3 5 12 4 6 5 5 2 10 7 8 3 2 2 2 9 5 4 2 8 16 3 1 1 2 8 6 5 4 4 7 5 36 11 3 12 6 4 13 9 7 27 45 74 44 17 19 5 5 11 2 6 43 20 4 3 5 4 5 10 8 9 4 5 7 16 8 5 16 20 3 5 3 3 3 4 7 16 2 3 8 3 5 4 1 2 3 6 9 4 4 6 8 20 9 6 7 2 11 13 4 3 4 7 13 5 11 3 2 4 6 21 18 7 4 3 8 3 4 6 12 4 12 14 18 11 6 3 3 5 4 1 5 5 3 2 100 26 15 21 8 70 12 5 3 47 8 3 11 11 74 62 40 11 66 9 3 4 13 4 12 2 3 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 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 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 1 2 2 1 2 2 2 2 3 2 3 3 10 10 18 51 24 16 7 2 5 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 81 81 t 1H J 16 | 80 80 dt 1H J 9 17 | 74 73 d 1H J 84 | 73 72 m 2H | 72 71 dt 1H J 19 77 | 54 53 d 2H J 9 | 44 43 q 2H J 83 | 34 33 s 2H | 13 12 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
ir: 2 3 4 3 3 8 10 3 7 10 4 3 9 3 5 7 4 3 2 6 4 2 3 5 14 9 6 9 6 2 3 2 3 4 3 2 9 68 7 3 2 3 2 4 12 5 3 26 56 13 2 3 5 4 3 0 16 88 7 8 3 7 5 3 4 54 35 19 41 21 10 21 17 7 30 2 3 3 4 4 6 4 7 6 4 2 3 3 2 2 6 18 5 2 4 3 1 2 3 3 1 9 24 5 2 5 3 2 2 2 3 2 1 3 4 7 11 16 30 5 3 3 4 6 16 19 4 3 3 3 2 2 3 2 54 4 9 13 40 18 10 15 81 18 7 11 5 2 3 8 25 91 9 3 4 3 2 3 3 2 4 28 5 1 23 76 6 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 3 3 2 6 9 13 10 7 10 7 9 27 42 26 75 26 11 6 6 7 4 3 2 3 3 2 1 3 3 3 3 3 5 3 3 94 90 100 23 11 21 5 2 3 2 3 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 78 d 1H J 97 | 75 75 s 2H | 70 70 d 1H J 97 | 61 60 ddt 1H J 55 114 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 46 45 dt 2H J 14 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H](C)c1ccccc1
ir: 10 10 4 2 2 2 9 2 3 3 2 1 2 2 3 5 2 2 1 1 1 1 2 8 9 3 4 1 2 3 3 7 8 4 1 2 1 1 2 5 28 44 35 2 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 2 1 13 5 12 6 7 5 7 5 10 6 5 7 4 2 2 2 2 1 1 1 1 1 1 3 21 11 3 2 1 1 2 4 3 3 6 8 6 2 1 1 1 1 2 4 4 21 16 15 4 6 5 7 8 5 7 6 3 2 2 4 2 5 4 6 4 3 1 1 3 5 10 4 2 2 1 0 6 20 27 48 100 49 25 5 2 2 3 7 2 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 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 2 2 3 1 1 1 1 1 2 2 2 6 9 7 2 38 15 11 14 22 17 7 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1H | 73 73 s 4H | 42 41 qd 2H J 34 62 | 37 36 q 1H J 76 | 15 14 d 3H J 77 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(Cc1cccc(O)c1)NC(C)=O
ir: 3 2 3 3 4 3 2 5 4 13 6 3 3 6 4 2 3 2 15 4 2 1 1 2 8 1 2 3 5 3 1 3 20 96 32 2 9 4 2 2 2 2 1 3 3 2 2 4 8 2 6 3 1 3 1 2 1 1 2 2 2 1 2 8 4 3 4 3 13 4 3 3 6 17 2 7 5 6 10 4 6 23 7 20 47 1 3 2 2 2 6 3 2 2 2 2 3 1 5 2 1 1 1 2 1 2 5 9 1 5 4 2 1 2 3 2 2 5 4 10 15 12 11 13 15 3 5 7 2 3 3 3 1 2 2 1 1 2 4 2 12 5 4 89 14 21 43 8 10 3 2 4 9 2 3 17 1 2 1 0 7 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 1 2 2 5 2 2 3 8 7 5 5 10 6 5 100 4 3 2 2 2 2 3 36 5 2 2 2 1 1 1 2 1 1 2 3 8 7 10 9 12 26 4 2 2 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 t 1H J 82 | 70 69 ddq 1H J 10 20 80 | 68 68 m 2H | 67 67 tt 1H J 9 22 | 58 58 s 1H | 46 45 dt 1H J 68 90 | 37 37 s 3H | 31 30 ddt 1H J 9 67 139 | 28 28 ddt 1H J 9 66 138 | 19 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccn(Cc2n[nH]c3ncccc23)c(=O)c1Oc1cc(Cl)cc(Br)c1
ir: 0 2 6 5 4 3 1 1 3 2 4 2 13 30 4 2 2 0 4 9 2 3 2 1 2 3 5 2 1 2 3 6 10 2 1 12 4 2 35 30 47 17 29 7 2 2 2 6 25 13 6 0 6 1 1 1 1 1 1 0 1 1 2 6 14 18 28 10 13 9 1 0 1 1 1 2 4 1 1 1 2 2 1 3 4 23 2 2 1 3 7 6 2 13 6 9 9 10 16 8 12 13 8 22 6 4 1 2 2 3 3 4 1 12 3 1 2 2 2 1 0 2 14 7 2 6 11 3 3 7 3 13 3 1 4 33 2 2 3 7 22 2 3 3 3 25 11 6 2 2 1 1 1 5 13 100 11 32 24 21 14 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 3 1 0 1 1 1 1 2 1 1 1 1 1 2 14 10 4 11 20 38 54 30 4 4 7 3 2 2 1 1 1 1 1 0 0 2 1 0 0 1 2 1 1 13 12 94 39 5 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 87 86 dd 1H J 21 39 | 83 83 dd 1H J 22 84 | 77 77 dt 1H J 9 79 | 73 73 dd 1H J 40 84 | 73 72 t 1H J 21 | 72 71 t 1H J 22 | 71 70 t 1H J 22 | 69 68 dq 1H J 9 78 | 57 56 d 2H J 8 | 21 21 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC1(C)CCCC2C3C=CC(CC3)C21
ir: 0 2 1 2 5 2 2 14 4 1 2 10 2 1 2 22 0 2 1 1 0 1 1 3 5 11 3 1 2 27 11 12 1 24 1 2 1 0 1 7 2 1 1 5 1 2 3 0 1 1 1 4 4 3 1 0 1 2 2 1 2 2 2 4 2 2 4 6 4 4 2 1 2 1 3 2 1 1 0 0 1 2 1 4 1 1 0 0 1 2 2 7 3 2 1 1 2 3 2 2 3 3 4 10 4 3 4 3 10 4 7 11 11 4 3 7 5 8 4 9 24 4 11 27 7 12 4 7 3 2 5 12 6 7 5 12 14 22 7 5 4 3 1 5 100 16 10 0 1 2 1 1 7 7 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 8 3 2 2 2 3 3 5 7 12 6 9 6 9 5 49 21 19 27 6 2 3 2 1 1 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 58 ddtd 1H J 9 18 57 79 | 58 57 dddt 1H J 9 18 68 92 | 28 27 ddddd 1H J 19 29 48 58 97 | 26 25 ddddd 1H J 11 18 46 63 107 | 19 16 m 10H | 16 13 m 5H | 13 13 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc(Cl)c3cc(O[C@@H]4CC[C@H](N)CC4)c(S(N)(=O)=O)cc3c2=O)cc1
ir: 7 15 65 15 9 8 9 6 5 7 8 8 5 8 4 3 3 11 6 5 2 3 4 3 5 3 7 4 1 3 3 2 2 2 4 2 1 3 4 3 2 4 6 7 6 15 20 13 18 7 5 3 5 9 11 9 17 6 6 19 13 27 9 29 11 16 16 38 17 11 6 17 7 9 7 31 24 24 12 14 14 26 47 41 35 35 32 79 55 43 24 18 20 16 11 10 12 6 5 4 5 6 7 6 5 7 16 11 11 7 2 7 10 10 2 5 13 70 37 80 36 13 7 13 21 12 2 8 3 3 3 6 14 15 29 19 19 2 1 11 4 2 2 2 8 3 5 5 24 5 4 4 69 9 2 20 7 3 1 3 11 1 3 4 16 2 2 3 2 0 2 4 2 0 2 4 2 0 2 4 1 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 3 2 1 1 2 2 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 2 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 1 3 2 1 2 3 4 3 3 4 3 1 3 5 4 0 18 16 8 62 14 13 12 9 2 3 2 2 2 2 2 3 7 12 13 6 14 6 50 30 18 100 35 55 73 42 14 5 4 3 2 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 2 3 2 1 2 3 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 s 1H | 77 77 t 1H J 9 | 74 73 s 1H | 73 72 dt 2H J 9 86 | 72 72 s 2H | 68 68 m 2H | 52 52 q 2H J 9 | 46 45 tt 1H J 35 59 | 38 38 s 2H | 31 30 ddtd 1H J 27 55 64 93 | 21 21 d 2H J 64 | 19 18 m 1H | 19 18 m 3H | 18 17 m 1H | 18 17 dddd 2H J 31 58 82 110 | 16 15 ddt 2H J 57 84 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
ir: 5 3 6 13 19 10 12 12 11 14 22 100 2 4 11 5 1 2 1 1 1 2 2 1 6 3 8 2 3 4 7 4 2 3 1 1 1 2 8 7 44 19 26 8 2 4 2 1 1 1 1 1 2 5 10 4 3 3 4 2 3 11 5 2 8 4 20 8 5 13 2 0 2 2 2 9 4 6 2 37 8 13 11 25 3 31 25 6 14 32 0 2 29 10 1 4 4 10 3 5 3 6 2 3 23 1 1 3 2 1 0 2 3 7 2 4 5 7 9 12 10 8 29 8 4 3 4 3 2 2 4 3 3 5 5 11 5 2 2 1 2 2 16 33 4 7 6 4 11 2 9 7 6 5 1 2 2 9 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 1 1 0 1 2 1 1 1 2 2 2 3 3 2 1 2 3 2 2 10 13 20 46 22 8 6 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 0 1 1; 1HNMR: 85 84 t 1H J 22 | 81 81 d 1H J 91 | 79 79 dt 1H J 19 77 | 79 78 m 2H | 76 75 m 2H | 74 73 d 4H J 43 | 73 73 m 1H | 52 51 s 2H | 36 36 m 4H | 34 34 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1(CO)CCCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21
ir: 4 5 6 5 5 6 4 7 4 4 3 6 8 4 3 4 25 11 10 12 11 8 4 8 9 5 8 16 26 42 37 14 14 3 4 5 26 3 3 6 3 5 5 8 5 5 19 8 21 5 6 4 10 6 48 24 8 7 11 3 1 2 2 3 1 0 2 8 3 6 2 1 1 1 1 2 2 1 7 1 2 8 14 11 9 15 12 14 18 23 6 22 22 15 8 13 14 10 23 7 7 2 3 3 5 2 4 3 2 10 7 10 4 4 6 2 1 2 3 3 2 3 2 5 5 3 6 5 19 58 10 21 4 2 2 2 3 4 15 40 9 7 21 4 13 12 7 9 9 100 26 4 22 8 14 5 2 1 3 3 1 0 10 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 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 0 0 1 1 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 2 1 2 1 0 1 2 2 2 2 3 5 1 2 2 3 3 12 4 18 10 37 34 53 13 9 28 21 16 31 74 17 10 4 3 1 1 2 2 3 3 4 3 2 1 10 20 63 20 9 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 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 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 1H | 74 73 s 1H | 72 71 m 2H | 45 44 t 1H J 57 | 37 36 d 2H J 57 | 34 33 dd 1H J 35 161 | 33 32 ddd 1H J 46 55 66 | 32 31 dd 1H J 55 161 | 20 19 m 3H | 19 18 m 2H | 18 17 m 4H | 14 14 dt 1H J 43 66 | 12 11 dt 1H J 53 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)Cc2ccccc2)cc1OC
ir: 1 1 0 1 2 3 2 3 2 2 2 2 2 2 4 2 1 2 1 3 2 3 2 2 3 7 3 2 8 17 6 3 6 5 14 15 27 19 6 2 52 6 2 4 3 2 4 12 3 1 2 8 10 18 11 24 2 1 1 0 2 6 4 8 6 8 9 17 12 7 3 1 1 1 2 1 2 2 7 1 1 0 0 0 1 0 1 1 3 8 5 4 8 3 2 4 3 2 24 4 1 1 0 1 1 1 1 1 2 3 2 2 2 1 1 1 0 2 2 4 7 1 4 2 4 9 9 13 7 4 1 2 2 2 5 14 1 2 2 1 1 6 19 100 87 12 6 4 2 5 10 8 15 4 2 5 2 1 1 3 0 0 1 1 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 2 1 0 1 1 1 2 3 6 13 15 31 36 29 24 6 3 4 2 4 4 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: 76 76 dd 1H J 20 88 | 75 74 d 1H J 20 | 73 72 m 5H | 69 69 d 1H J 87 | 43 42 d 2H J 7 | 39 38 d 6H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)C1=CC=CN(Cl)C1
ir: 6 2 2 4 12 2 0 2 3 8 12 4 16 2 4 2 3 1 1 2 3 4 6 10 4 2 1 3 4 1 1 3 4 11 7 3 3 1 1 3 3 14 19 3 2 1 2 2 2 1 1 2 2 0 2 5 5 3 2 2 2 1 2 13 25 1 2 3 1 1 2 24 3 2 6 3 6 31 5 4 1 0 3 5 49 2 100 4 1 2 2 2 1 1 5 2 1 1 2 2 1 1 2 4 39 9 5 3 5 22 4 2 2 2 4 23 18 4 6 5 1 3 3 4 2 2 3 1 0 2 2 3 1 2 2 1 1 3 2 9 9 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 14 3 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 3 2 1 2 3 6 1 1 22 10 2 4 5 15 13 13 6 5 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 74 ddd 1H J 10 19 75 | 74 73 dq 1H J 10 86 | 68 67 ddt 1H J 9 73 85 | 43 43 q 2H J 10 | 35 33 hept 1H J 85 | 14 13 d 6H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(NC)c1
ir: 3 10 5 9 10 10 9 9 3 5 2 5 6 5 8 6 15 9 25 8 28 16 13 13 22 18 66 28 34 18 9 11 3 6 8 14 12 6 15 11 10 15 50 13 11 21 5 0 3 5 5 9 16 38 32 9 30 12 7 7 12 6 6 7 15 19 33 40 16 12 22 24 23 13 7 7 8 6 3 3 4 5 8 17 24 22 11 39 24 22 5 9 7 10 7 16 21 12 4 7 7 5 3 5 5 5 4 5 10 18 10 13 7 8 51 23 5 10 7 6 13 11 13 20 42 13 11 8 6 9 4 4 4 4 7 11 8 49 29 21 33 6 4 3 4 5 6 21 28 20 18 8 19 20 44 38 18 7 7 5 4 6 7 23 47 11 5 5 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 3 1 0 2 2 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 4 5 5 5 7 5 4 9 8 8 9 8 28 27 33 100 42 14 7 16 12 7 6 8 5 4 2 2 3 5 2 4 6 8 7 13 15 14 50 72 18 7 7 6 4 8 12 4 6 4 2 2 2 2 2 2 2 1 2 2 2 2 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 77 m 3H | 77 77 m 2H | 68 67 m 2H | 64 64 d 1H J 21 | 58 57 ddt 1H J 56 112 167 | 53 52 ddt 1H J 13 24 167 | 51 50 m 1H | 40 40 t 2H J 63 | 32 31 dt 2H J 13 55 | 30 30 d 3H J 51 | 25 25 t 2H J 62 | 23 22 s 2H | 18 17 tt 2H J 63 74 | 16 15 m 2H | 15 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(=O)CCC
ir: 4 5 4 2 8 5 2 1 2 3 0 1 2 2 2 1 0 1 2 2 2 10 17 27 9 11 2 2 1 1 1 1 1 2 2 1 3 6 2 9 12 12 11 6 4 3 2 1 4 3 2 2 1 3 5 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 3 4 3 3 2 1 1 1 1 1 1 1 1 3 5 7 7 3 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 5 4 9 11 27 25 23 14 12 20 22 22 15 18 9 8 9 5 5 11 8 9 4 3 2 2 5 5 7 15 11 8 30 26 100 50 60 11 11 6 4 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 2 2 3 3 8 3 10 8 13 11 6 11 5 7 7 12 18 9 17 26 26 4 6 4 2 1 2 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 24 24 m 4H | 16 15 m 4H | 14 13 m 4H | 9 9 td 6H J 41 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(=O)N(c2ccc(NC=CCc3ccccc3)cc2)c2ccc3ccccc3c2N1
ir: 6 6 6 6 7 6 6 6 7 6 6 7 8 8 8 9 9 7 7 5 5 6 8 7 75 6 6 9 11 14 27 14 10 17 31 42 18 9 10 10 35 9 19 9 5 8 7 6 7 7 7 14 10 21 16 33 100 0 7 9 9 5 11 12 5 5 6 7 8 10 6 6 6 7 9 9 6 6 6 6 5 5 7 6 5 5 6 6 5 6 8 6 5 5 6 8 9 6 10 7 6 6 6 6 17 10 27 9 6 6 6 5 5 6 7 11 9 7 8 5 5 6 8 7 11 9 7 9 20 7 8 7 7 8 21 56 21 9 8 7 8 12 11 30 12 9 16 11 27 10 23 14 27 31 23 10 9 9 9 18 7 13 6 5 6 6 22 7 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 6 7 11 7 7 6 5 6 7 6 9 10 6 35 73 43 8 10 11 6 7 6 6 5 5 6 6 6 6 6 6 5 6 7 6 6 8 11 85 37 18 14 8 10 7 8 6 6 6 6 6 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 98 98 s 1H | 96 96 d 1H J 66 | 83 82 m 1H | 81 80 d 1H J 80 | 77 77 m 1H | 76 76 ddd 1H J 13 71 80 | 76 75 m 2H | 75 74 m 2H | 73 71 m 7H | 69 68 ddt 1H J 13 64 139 | 58 57 dt 1H J 58 137 | 36 35 s 2H | 34 33 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C(I)=C\C1CCCCCCC1
ir: 2 1 0 3 4 2 0 2 1 4 5 2 3 1 2 4 2 2 3 3 2 1 5 3 2 1 3 3 5 13 10 8 7 6 2 3 5 2 4 10 11 31 17 13 9 15 27 8 4 3 2 3 2 8 9 11 18 13 12 10 10 19 11 2 5 6 15 4 2 2 9 9 13 8 13 22 2 2 2 2 1 1 1 1 1 2 5 3 2 1 1 1 1 2 3 3 3 4 7 11 3 15 10 10 13 41 57 37 28 50 48 38 95 79 94 53 38 31 33 19 24 14 50 79 25 20 12 17 10 9 11 1 4 4 5 2 4 4 4 4 3 2 2 1 2 2 2 1 1 2 1 1 0 1 1 0 1 1 1 1 1 2 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 0 1 1 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 3 4 4 3 9 9 13 12 17 44 43 43 60 85 33 32 21 56 100 14 17 12 11 4 4 4 3 3 2 2 1 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 68 68 dp 1H J 9 75 | 38 38 s 2H | 28 26 dp 1H J 68 78 | 17 15 m 2H | 15 15 m 1H | 15 14 m 2H | 14 14 m 5H | 14 13 m 2H | 14 13 m 1H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1c(C(=O)O)ccc(Cl)c1Cl
ir: 9 9 6 5 6 6 4 10 11 28 34 7 8 6 7 6 15 8 11 16 16 26 89 25 10 17 19 9 9 16 13 7 6 6 10 16 13 16 8 6 7 6 6 8 6 6 5 4 6 5 5 5 10 12 8 7 5 5 4 5 5 5 5 5 5 5 6 13 6 5 5 5 5 5 5 5 10 59 37 6 5 9 6 7 5 5 5 6 7 6 5 6 16 6 5 5 8 12 4 5 5 5 7 11 7 5 5 5 5 4 4 5 5 5 4 5 8 15 9 5 7 5 5 5 11 5 4 5 5 4 5 5 5 4 4 5 8 50 12 8 7 23 35 23 6 23 7 19 32 37 11 8 6 0 61 10 6 5 5 6 11 6 5 5 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 5 5 5 5 4 6 7 6 7 14 16 16 9 8 5 5 5 5 5 14 100 14 5 6 5 5 5 6 11 7 10 5 6 6 90 95 12 7 5 8 5 5 7 5 5 4 5 5 4 4 5 5 5 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 90 89 s 1H | 78 78 d 1H J 82 | 73 73 d 1H J 82 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cc2c(I)n[nH]c2cc1[N+](=O)[O-]
ir: 4 10 8 3 14 5 3 7 3 1 4 9 3 1 0 2 5 46 2 5 13 14 2 3 7 7 4 2 2 0 1 13 4 5 10 3 2 1 9 4 2 8 1 2 1 1 1 2 1 0 1 2 1 1 2 3 4 13 13 3 3 11 5 2 1 0 2 2 1 0 2 4 2 33 6 3 1 1 4 7 2 1 2 3 9 13 1 1 1 3 2 1 2 4 3 2 2 28 6 3 2 1 2 11 22 5 14 4 12 25 7 3 1 3 3 2 4 5 2 1 1 4 7 8 31 5 10 2 6 10 4 6 23 13 2 2 2 1 2 9 14 5 2 0 1 2 2 1 2 7 4 3 3 12 8 15 8 19 27 5 2 3 3 1 1 3 5 10 4 2 1 0 1 5 2 0 1 2 1 0 1 3 5 2 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 11 1 2 4 3 6 41 24 11 3 5 6 3 3 5 3 1 0 2 2 1 1 2 2 2 30 28 100 20 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 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 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; 1HNMR: 85 85 s 1H | 83 82 s 1H | 74 73 dd 1H J 111 165 | 59 58 dd 1H J 24 165 | 57 57 dd 1H J 24 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN3CCC(N)CC3)c2cc1C
ir: 2 8 7 5 5 13 6 4 2 3 5 3 2 7 8 3 2 4 5 2 1 4 4 3 7 6 11 4 3 4 5 3 3 4 3 2 2 8 11 4 7 5 13 23 7 6 4 5 2 12 6 1 5 18 18 100 61 8 18 45 5 5 11 10 25 15 10 9 6 16 19 10 10 5 4 8 20 5 6 4 8 16 29 22 8 21 2 3 8 12 4 2 5 4 3 6 8 7 5 14 6 7 5 5 5 5 1 5 8 11 6 3 5 6 6 6 15 8 5 5 4 4 9 17 5 9 13 17 16 6 4 14 13 13 19 13 44 9 4 4 7 2 2 5 12 3 1 34 5 3 3 6 7 27 15 10 9 3 2 3 2 4 5 36 3 1 3 5 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 4 3 2 2 5 4 3 4 5 5 2 3 5 4 5 7 9 5 5 8 7 3 2 3 4 2 3 4 4 3 5 7 15 9 16 12 10 5 4 11 6 30 19 43 8 3 4 4 4 3 2 3 3 1 4 4 3 1 2 3 2 1 2 4 2 2 2 4 2 1 2 3 2 1 3 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 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 94 94 s 1H | 77 76 s 1H | 76 76 d 1H J 8 | 43 43 t 2H J 60 | 31 30 tt 1H J 38 55 | 29 28 m 4H | 28 27 ddd 2H J 55 82 125 | 24 24 s 3H | 24 23 s 2H | 19 18 dddd 2H J 39 56 82 136 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2c(C(C)O)c(-c3ccccc3)c3ccccc32)cc1
ir: 8 5 8 7 6 3 1 6 29 11 9 9 9 7 43 13 7 3 1 2 4 1 4 3 11 1 1 6 4 2 3 6 8 6 4 3 5 8 3 5 24 5 8 46 11 4 2 3 2 1 4 4 9 10 6 5 2 0 4 5 4 2 6 5 12 2 5 19 11 13 8 19 6 2 6 5 3 5 4 4 4 14 5 5 33 12 11 11 100 53 9 13 20 9 23 6 3 4 3 3 1 3 9 3 1 2 5 2 0 3 5 3 1 3 4 2 1 2 4 5 2 3 7 4 3 10 7 4 3 3 3 1 1 2 9 6 1 4 4 5 2 16 9 2 2 4 10 9 3 4 4 5 10 4 2 2 1 3 2 1 3 7 3 1 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 3 2 1 2 3 4 8 4 10 10 9 28 100 35 5 6 7 4 2 28 30 3 4 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 1 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 81 81 dd 1H J 16 72 | 78 78 s 1H | 78 78 s 1H | 78 77 dd 1H J 14 64 | 76 75 m 6H | 74 73 dq 1H J 28 87 | 72 72 dq 2H J 8 89 | 53 52 qd 1H J 47 60 | 45 44 d 1H J 46 | 24 24 d 3H J 10 | 16 16 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(F)c1
ir: 4 4 4 4 4 4 4 5 3 6 8 8 4 7 5 3 5 5 5 14 9 7 8 3 4 6 8 7 7 6 4 4 3 4 4 3 6 8 5 3 5 12 7 2 3 5 8 0 12 12 5 4 10 20 20 9 5 6 4 5 11 5 4 7 15 12 9 12 19 6 5 4 11 7 16 6 4 3 3 4 3 5 4 3 3 3 20 33 6 4 4 3 5 7 5 4 5 3 3 5 15 5 3 3 4 4 4 3 6 6 4 3 5 4 6 4 5 5 6 5 5 5 4 5 6 5 6 8 6 11 7 10 6 21 5 7 6 6 7 13 9 9 3 3 7 5 23 17 13 40 27 12 15 8 6 7 6 3 5 7 3 4 15 42 4 3 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 4 4 4 4 4 3 3 4 5 4 5 14 11 21 100 40 29 18 21 4 5 4 3 4 3 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 78 77 dd 1H J 51 86 | 77 76 m 1H | 77 77 s 1H | 76 76 s 1H | 75 75 ddd 1H J 51 76 90 | 73 72 dddd 1H J 13 37 90 102 | 68 68 dd 1H J 21 86 | 67 67 dd 1H J 22 121 | 66 66 dt 1H J 9 19 | 50 49 t 2H J 9 | 40 39 t 2H J 54 | 19 18 qt 2H J 54 78 | 12 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Br)c2ccccc2n1Cc1cc(-c2ccc(C(=O)OC)cc2)ccc1C
ir: 4 12 9 11 6 7 2 6 13 8 10 20 4 2 2 5 11 11 12 1 1 3 2 2 37 2 12 5 2 2 6 8 2 8 8 3 2 2 2 4 1 3 66 11 2 4 2 0 1 2 2 0 4 27 17 3 4 11 7 2 2 1 1 1 2 2 2 2 6 13 16 11 6 9 15 3 4 8 35 9 2 1 1 1 3 2 1 2 9 5 5 2 5 6 6 15 6 11 3 2 27 4 9 6 3 3 1 1 2 1 0 2 3 6 4 28 7 6 10 5 5 4 5 22 8 6 1 3 6 4 5 20 11 2 3 33 2 3 6 6 29 1 82 17 16 40 3 19 8 13 12 23 11 6 30 6 2 1 1 2 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 3 3 2 2 1 2 3 5 10 26 27 41 100 73 35 8 6 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 3H | 77 76 m 2H | 75 75 m 2H | 74 74 m 3H | 72 72 dq 1H J 10 82 | 56 56 d 2H J 10 | 44 43 q 2H J 64 | 39 39 s 2H | 23 23 d 3H J 10 | 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.
COC(=O)c1sc(-n2cnc3cc(Cl)c(F)cc32)cc1O
ir: 4 4 5 4 13 4 3 5 2 3 11 11 8 7 4 23 23 72 14 16 21 8 4 4 4 4 2 5 5 16 22 53 10 6 10 6 5 3 3 11 7 2 2 2 2 2 2 1 1 2 2 3 2 13 4 2 9 2 1 1 1 2 2 2 5 11 36 91 22 3 25 17 18 11 3 12 4 7 4 2 2 2 2 2 3 4 2 4 7 25 6 7 8 11 9 97 39 10 5 4 0 41 0 4 4 3 4 4 6 46 3 4 3 4 1 2 4 3 2 2 2 2 1 2 3 2 10 3 2 4 2 3 15 2 2 1 2 3 10 4 2 1 1 1 2 1 1 2 2 11 2 4 47 14 5 8 5 16 2 2 2 1 1 5 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 1 2 3 1 2 2 2 1 3 2 4 48 9 50 29 11 11 20 100 36 4 3 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 91 90 s 1H | 77 76 m 3H | 69 69 s 1H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN=C(SC)N1CCC[C@@H]1c1nnn(-c2cccc(C#N)c2)n1
ir: 3 3 4 2 3 6 7 2 1 2 6 6 4 4 20 7 3 1 1 2 1 2 4 3 1 1 2 2 2 2 2 2 2 3 11 18 2 5 7 8 14 4 2 0 2 5 2 1 13 27 2 0 1 2 1 0 1 3 4 2 1 3 2 0 1 2 2 0 13 10 1 1 1 5 1 1 1 4 4 3 1 2 1 1 1 1 2 1 5 5 7 5 2 3 2 2 2 1 1 1 2 4 1 9 13 12 13 22 21 6 3 3 3 3 3 6 4 6 6 2 8 8 4 5 4 6 14 34 28 4 7 5 1 4 6 3 2 3 19 13 4 3 4 23 100 11 4 1 1 1 1 1 2 2 4 6 1 0 0 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 4 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 1 0 1 2 1 1 1 2 2 2 2 4 1 0 2 2 4 1 13 18 8 63 12 8 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 81 m 2H | 78 77 ddd 1H J 12 21 58 | 76 76 dd 1H J 60 73 | 54 53 m 1H | 40 39 m 1H | 39 38 m 1H | 32 32 s 2H | 26 25 s 2H | 24 23 m 1H | 23 21 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2ccccc2c(C2CC2)n1
ir: 2 5 9 4 0 5 9 4 0 6 10 26 23 17 23 14 9 10 10 6 14 28 12 10 4 9 9 10 8 8 10 15 34 16 8 3 10 12 10 5 8 34 59 53 8 5 6 4 5 11 8 5 5 8 5 2 5 8 6 3 6 10 5 2 5 8 6 9 25 31 7 3 6 8 6 7 9 8 10 15 6 8 11 9 9 16 13 9 8 6 3 8 12 7 3 4 7 7 3 4 8 5 2 5 8 6 4 8 20 17 7 5 9 5 2 6 8 4 2 6 9 4 11 15 9 5 5 13 41 26 20 9 7 7 8 8 7 6 13 94 90 5 5 8 17 11 7 9 44 36 9 20 17 5 13 18 7 3 6 8 6 2 4 8 5 1 14 10 6 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 8 6 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 6 5 2 4 7 5 3 4 7 5 2 4 7 5 2 7 8 7 4 5 20 42 100 34 21 19 9 9 10 4 22 45 10 6 5 6 6 5 4 6 6 4 4 6 6 4 4 6 6 3 4 6 5 4 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 4 7 5 2 5 7 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 5 3 5 6 4 3 5 6 4 3 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6; 1HNMR: 85 85 d 1H J 20 | 80 80 dd 1H J 14 84 | 79 79 m 1H | 76 75 m 2H | 21 20 m 2H | 19 18 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccccc2)nc1COc1ccc2cc(C=CC=C3SC(=O)NC3=O)ccc2c1
ir: 1 1 0 1 1 2 1 2 2 1 2 7 8 1 2 2 9 3 1 1 3 1 1 1 1 2 2 2 3 2 9 9 9 4 3 4 2 4 2 11 33 35 9 4 3 12 2 6 13 22 39 0 8 24 13 5 1 1 2 1 7 1 3 1 2 3 4 11 16 5 13 5 1 2 5 16 33 12 3 2 2 1 1 1 0 1 1 1 1 4 2 1 2 1 6 3 1 1 2 2 3 3 4 3 11 10 4 4 1 3 7 6 0 1 2 2 3 11 7 4 3 5 5 6 7 5 5 10 1 6 4 4 2 8 6 10 1 2 1 0 1 2 5 18 26 25 3 6 4 4 1 0 8 1 2 2 1 3 9 19 8 1 1 2 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 2 2 2 2 1 2 2 5 5 10 17 38 100 63 5 6 5 3 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 1 2 3 15 58 4 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 89 89 s 1H | 80 78 m 4H | 78 78 m 2H | 76 76 m 1H | 75 74 m 3H | 73 73 t 1H J 24 | 71 70 dd 1H J 80 157 | 70 70 dd 1H J 25 84 | 68 67 m 1H | 53 53 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)Oc2ccccc2)c1
ir: 4 4 5 7 2 6 4 3 2 3 4 2 2 2 3 4 2 6 3 2 2 2 2 2 2 2 2 4 9 37 5 46 0 5 4 3 5 31 7 24 12 3 4 4 5 100 16 27 25 3 2 1 2 2 3 1 2 2 2 1 2 3 2 2 4 7 3 12 10 5 3 2 6 5 6 1 5 5 4 4 4 4 2 2 2 3 2 1 2 4 13 4 4 5 3 2 2 2 2 2 4 2 1 2 3 5 1 2 2 2 1 2 2 2 1 2 3 2 3 8 3 2 5 4 7 6 6 6 4 6 3 2 3 4 4 5 10 8 9 15 25 2 13 8 7 66 9 28 5 3 5 10 5 24 2 2 2 2 2 10 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 2 1 2 3 2 1 3 4 5 5 6 11 28 18 33 13 9 13 4 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 79 ddd 1H J 12 21 75 | 79 79 t 1H J 22 | 76 76 m 1H | 75 74 m 2H | 74 73 t 1H J 77 | 73 73 dq 2H J 16 81 | 73 73 dddd 1H J 7 13 21 79 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C)(C)OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
ir: 9 11 3 6 9 5 2 8 9 7 5 7 9 5 8 15 11 7 17 16 8 5 4 9 11 7 9 26 11 12 8 8 11 6 8 11 10 6 4 8 7 12 13 9 14 14 9 10 8 6 6 9 7 2 6 11 12 10 14 9 6 4 9 12 7 5 7 10 8 9 9 16 11 24 30 46 18 18 8 9 4 3 7 7 5 5 7 7 5 10 14 9 5 9 10 16 15 16 10 9 10 15 14 22 41 26 11 10 14 25 17 20 12 13 15 11 8 10 14 10 4 8 9 9 3 8 14 10 10 12 14 7 8 7 10 6 6 8 7 5 5 11 9 4 4 7 7 3 8 13 26 98 5 6 6 16 32 13 7 2 5 9 6 0 100 8 5 6 5 6 5 4 5 6 5 3 5 6 5 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 4 6 6 4 4 6 6 4 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 3 6 6 4 4 6 6 4 4 6 6 4 4 6 6 3 5 7 6 4 6 10 7 4 6 13 10 6 10 9 9 8 15 36 37 63 48 18 11 5 5 7 5 3 6 7 5 4 5 6 4 3 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 7 5 3 5 6 5 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 4 5 6 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3; 1HNMR: 61 60 m 2H | 57 57 t 1H J 15 | 38 38 dd 1H J 17 59 | 38 37 dd 1H J 49 112 | 35 34 dd 1H J 49 113 | 33 33 s 2H | 30 30 d 1H J 60 | 23 22 qd 1H J 21 84 | 19 15 m 7H | 15 14 m 1H | 15 13 m 8H | 14 13 m 1H | 13 13 m 1H | 13 12 m 1H | 11 11 s 2H | 9 9 dd 3H J 13 67 | 8 7 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(OCCCOc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3O)cc2)c1
ir: 1 3 4 3 5 3 3 3 6 6 10 7 9 7 5 2 2 2 3 2 1 2 2 2 3 2 1 1 2 4 2 0 1 1 3 1 1 1 2 1 1 1 2 7 2 6 34 8 2 2 1 1 2 10 17 6 8 4 1 0 2 3 4 5 4 7 7 5 10 5 4 5 8 12 2 2 3 1 2 4 2 3 2 1 0 2 5 11 14 22 16 9 1 1 2 2 3 7 3 11 3 1 1 1 1 1 1 5 1 3 8 2 2 2 3 5 3 3 4 4 5 13 10 4 10 4 3 9 3 6 7 8 8 6 4 2 5 3 3 2 20 2 1 1 2 2 2 1 6 8 21 82 12 4 5 3 1 0 1 1 1 8 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 2 1 1 2 3 4 1 2 1 1 3 4 4 12 6 17 38 15 3 2 4 1 1 6 100 8 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 t 1H J 78 | 71 71 m 2H | 69 68 ddd 1H J 13 22 79 | 68 68 m 3H | 68 67 t 1H J 21 | 43 41 m 5H | 39 38 dd 1H J 42 119 | 37 36 m 2H | 35 34 m 2H | 32 31 m 1H | 23 23 t 3H J 6 | 23 21 m 3H | 20 19 ddt 1H J 58 88 130 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(S(=O)(=O)Cl)ccc1Oc1ncc(C(F)(F)F)cc1Cl
ir: 4 8 9 5 4 7 7 7 0 11 5 4 14 5 4 5 7 6 16 5 5 38 10 4 3 4 5 4 3 4 8 5 5 17 10 6 18 21 8 5 5 7 7 4 3 4 3 2 3 4 3 2 4 7 20 10 6 5 3 2 3 5 5 3 23 15 7 7 7 6 4 4 5 5 3 2 4 6 5 3 5 8 28 27 47 100 5 5 8 4 3 3 4 4 3 4 40 9 25 37 10 6 3 3 4 4 3 3 4 4 2 3 8 19 6 7 7 4 3 3 5 4 5 18 7 10 20 7 9 6 7 14 21 3 2 4 5 2 2 4 4 3 4 15 39 9 3 5 5 9 6 4 4 6 5 5 3 2 3 8 6 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 4 3 3 3 3 3 3 4 4 3 4 3 4 7 5 2 18 55 32 10 5 2 5 5 3 2 4 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 85 85 p 1H J 13 | 80 79 dq 1H J 9 18 | 78 78 dd 1H J 22 95 | 77 77 d 1H J 20 | 72 72 d 1H J 95 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.