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CCOC(=O)N1CCC(Nc2nc3cc(S(N)(=O)=O)ccc3o2)CC1
ir: 7 14 6 5 7 6 4 7 8 8 7 9 36 38 35 14 9 5 8 5 4 3 1 4 7 7 5 2 2 3 16 6 3 3 2 3 3 2 6 8 5 3 8 15 10 15 74 46 8 4 3 7 3 0 4 16 10 10 6 5 8 5 9 7 11 5 6 11 8 13 15 21 32 18 5 8 7 36 56 72 54 37 32 11 10 12 18 19 33 100 30 20 52 34 9 9 6 6 5 3 15 15 8 8 13 28 21 48 10 21 12 7 23 20 14 22 16 32 24 26 13 5 10 7 7 6 7 6 5 14 14 10 6 30 8 10 10 4 6 6 3 2 2 3 4 4 4 4 2 2 1 2 1 1 1 1 2 1 1 1 2 0 9 24 4 2 1 0 1 1 1 1 6 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 4 3 4 5 3 11 10 6 6 6 6 6 1 11 16 15 25 30 20 15 4 2 2 2 1 1 1 1 1 2 2 2 2 2 6 36 20 10 13 7 6 28 28 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 m 2H | 78 78 m 1H | 62 62 s 2H | 54 54 d 1H J 64 | 41 40 q 2H J 65 | 41 40 m 1H | 38 37 ddd 2H J 59 86 130 | 34 33 ddd 2H J 59 86 130 | 22 21 dddd 2H J 46 58 86 131 | 19 18 dddd 2H J 47 59 86 131 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccn(CC(C)(C)N3C(=O)c4ccccc4C3=O)n2)ccc1C#N
ir: 1 1 2 1 1 3 4 4 4 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 6 3 1 1 2 1 1 3 3 3 2 2 3 8 48 13 4 3 2 2 4 6 3 16 21 6 2 2 2 4 3 2 2 1 2 1 2 2 2 3 3 1 2 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 3 2 4 2 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 2 5 3 3 2 1 13 16 3 5 4 22 4 4 7 2 2 5 2 2 31 6 4 3 10 20 2 2 3 3 0 2 13 100 60 7 0 1 4 2 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 5 3 6 32 25 16 7 9 5 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; 1HNMR: 79 79 dd 2H J 31 50 | 78 78 dd 1H J 21 74 | 77 77 dd 2H J 31 51 | 77 76 d 1H J 74 | 76 76 m 1H | 74 73 dt 1H J 9 26 | 67 66 d 1H J 27 | 44 44 d 2H J 7 | 24 24 s 3H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(C2CCCCC2)c2nc(SC)ncc2c1=O
ir: 2 1 1 2 3 1 2 1 1 2 2 2 1 1 1 1 4 3 3 1 1 4 1 1 1 2 3 1 1 1 1 1 1 1 1 3 3 14 8 2 1 1 1 2 2 0 27 11 3 4 1 1 2 2 2 1 3 8 6 2 2 2 1 4 1 1 1 1 1 2 1 1 3 1 3 3 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 6 6 2 2 1 1 2 1 1 3 5 4 5 4 5 3 3 3 3 1 4 5 1 1 2 3 2 3 1 2 15 3 1 2 2 2 7 7 2 2 1 3 5 2 1 6 5 2 2 2 2 100 6 2 2 2 7 12 3 2 11 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 3 9 3 1 1 1 1 2 3 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 s 1H | 86 85 d 1H J 16 | 44 43 pd 1H J 18 69 | 43 42 q 2H J 71 | 26 25 s 2H | 21 20 dddd 2H J 53 70 81 122 | 19 18 dddd 2H J 52 69 79 121 | 17 16 m 2H | 16 14 m 4H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2cc(Cl)c(F)c(Cl)c2c1=O
ir: 2 5 3 2 2 1 4 2 2 2 5 14 6 2 2 3 5 5 2 1 4 9 2 1 1 2 2 1 2 2 2 1 4 5 3 5 14 5 3 1 1 2 2 4 2 3 3 0 14 18 33 8 4 2 23 46 3 4 3 3 2 2 2 2 3 6 16 9 12 5 2 2 3 7 5 5 14 3 1 1 2 2 1 1 3 2 4 4 2 3 4 1 4 2 0 1 3 3 2 1 2 2 1 2 3 3 17 2 2 2 2 2 3 3 6 4 4 4 25 10 3 5 1 2 8 4 1 6 5 7 1 2 2 3 2 2 3 2 15 8 4 1 14 66 2 2 11 7 100 5 2 3 42 0 25 0 5 4 3 3 19 9 40 1 1 11 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 2 2 2 2 2 2 3 7 16 10 30 93 53 10 23 7 4 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 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; 1HNMR: 85 84 s 1H | 75 74 d 1H J 44 | 74 73 dt 1H J 47 77 | 71 69 m 2H | 43 42 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1ccc(C(=O)O)n1
ir: 1 0 1 1 1 2 6 1 0 1 1 4 1 1 1 1 1 2 17 10 2 100 14 2 4 2 2 1 1 0 1 3 1 0 0 1 1 1 1 1 1 0 1 2 1 0 0 1 5 4 5 13 19 2 1 1 1 1 1 1 1 1 1 0 1 3 1 3 1 1 2 2 0 0 1 2 5 28 6 1 1 1 0 0 2 1 2 13 3 1 0 2 2 2 2 3 2 5 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 6 5 4 1 1 1 2 2 6 19 3 2 1 1 1 2 3 2 1 1 0 0 1 1 0 1 7 8 10 6 2 1 1 1 1 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 1 3 2 1 2 3 6 6 5 6 13 7 2 1 1 18 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dt 1H J 9 35 | 70 70 d 1H J 35 | 41 41 td 2H J 9 37 | 37 37 t 2H J 36 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)[C@@H]1CC[C@H](Nc2cc(S(C)(=O)=O)ncc2N)CC1
ir: 6 2 4 8 1 6 27 12 12 14 5 5 5 9 6 5 8 13 14 10 7 3 4 2 2 1 1 1 1 2 2 2 3 6 12 17 5 5 5 2 1 1 2 1 1 3 1 2 1 2 1 0 1 1 1 2 3 3 2 1 1 0 1 1 2 2 11 4 4 1 1 1 2 1 2 1 1 6 2 4 2 0 1 9 13 14 4 2 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 2 3 4 2 2 1 2 4 4 2 3 3 2 3 4 4 3 4 5 4 2 1 1 1 1 1 0 2 2 2 1 2 2 13 1 1 1 1 0 3 3 6 17 10 8 7 10 2 3 2 1 2 5 19 28 3 3 1 1 2 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 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 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 3 5 3 6 8 8 7 5 5 2 1 0 1 1 1 0 1 1 1 0 0 2 1 1 2 2 19 4 6 3 5 22 49 4 5 2 4 10 100 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 73 73 s 1H | 68 67 d 1H J 84 | 63 62 d 1H J 79 | 46 46 s 2H | 39 38 dhept 1H J 56 81 | 34 33 m 1H | 34 33 s 3H | 23 23 tt 1H J 43 70 | 20 18 m 4H | 18 16 m 4H | 12 11 dd 6H J 56 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)Cc1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1
ir: 3 2 7 5 7 7 10 4 9 4 8 4 6 14 7 7 8 5 4 19 12 11 24 6 9 11 15 4 4 12 33 29 14 4 3 5 5 4 8 10 30 7 7 39 28 3 3 6 1 1 4 4 2 6 3 4 5 9 5 2 14 3 2 1 2 3 6 12 17 5 2 1 3 2 5 6 2 3 5 4 2 1 2 1 0 2 8 13 13 20 4 4 9 11 6 36 7 4 6 2 4 2 2 3 19 4 4 2 2 1 1 0 0 2 1 2 6 14 10 5 10 7 2 2 8 6 6 2 1 6 8 2 1 4 4 9 23 2 1 1 1 9 78 34 15 23 82 31 7 7 40 25 35 31 27 6 5 25 5 1 1 2 4 14 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 2 2 3 0 1 1 2 1 2 11 7 10 26 74 16 9 2 2 5 12 13 100 10 10 5 1 1 2 1 2 1 15 18 4 3 6 4 10 17 13 17 2 2 17 18 3 2 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 9 | 80 79 dd 1H J 51 99 | 79 78 m 2H | 78 77 dd 1H J 21 122 | 74 72 m 3H | 73 73 s 3H | 66 66 s 2H | 46 45 dd 2H J 8 57 | 42 41 hd 1H J 58 72 | 31 31 ddd 1H J 8 74 161 | 29 28 m 2H | 14 13 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3c2ncn3C2CCCCO2)cc1
ir: 2 1 2 1 1 1 4 3 5 4 2 1 3 3 1 1 7 1 1 2 3 11 25 2 4 3 4 1 6 6 7 17 16 13 9 4 4 8 4 11 27 3 5 3 28 14 7 11 19 7 10 6 5 7 6 6 31 66 4 1 2 3 3 23 5 3 5 0 5 7 12 5 2 4 2 2 1 2 2 2 4 4 2 1 2 1 1 1 4 2 2 2 2 2 1 2 3 2 2 2 2 4 8 7 23 6 22 26 3 3 2 4 4 7 6 5 6 7 2 3 2 3 3 4 5 3 2 5 5 13 17 32 4 1 2 2 2 1 2 11 8 30 11 8 22 8 7 2 5 2 2 47 6 93 12 47 9 34 100 14 5 1 4 4 2 3 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 2 1 1 1 2 3 4 3 3 2 3 2 4 7 15 7 15 34 9 9 6 4 3 2 2 1 2 2 1 1 2 2 1 1 2 2 3 6 6 14 8 25 19 47 11 9 11 2 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 s 1H | 94 94 s 1H | 84 83 m 2H | 82 82 dd 1H J 20 88 | 77 76 m 2H | 76 75 m 2H | 74 73 dd 1H J 43 87 | 59 59 td 1H J 7 33 | 41 41 m 1H | 38 37 m 1H | 25 25 s 2H | 24 23 m 1H | 22 21 s 2H | 21 20 dddd 1H J 33 43 74 129 | 19 18 m 1H | 18 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CCC(Cl)CC1)N(c1ccccc1)c1ccccc1
ir: 0 0 1 0 0 0 1 0 0 2 1 1 0 1 2 1 0 1 2 0 0 1 1 0 0 2 6 9 2 4 3 3 2 4 19 2 1 1 1 13 8 3 7 21 9 7 1 2 2 1 1 1 1 2 3 1 2 2 1 0 0 1 0 0 1 1 1 0 2 8 5 0 1 1 0 1 2 2 4 1 2 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 0 0 1 1 1 1 2 6 5 3 2 5 5 2 2 0 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 2 1 30 2 1 1 1 2 1 3 13 4 2 3 20 24 17 4 18 36 8 6 1 1 0 0 3 10 6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 2 2 2 2 5 4 3 12 11 100 12 6 4 2 1 0 1 1 1 1 1 1 0 1 0 1 0 1 1 2 1 3 8 4 2 2 2 4 1 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; 1HNMR: 74 73 m 10H | 65 65 d 1H J 70 | 43 42 m 1H | 36 35 dddt 1H J 17 33 50 69 | 22 21 m 2H | 19 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNc1nc(N)nc2c1CCCC2
ir: 8 3 5 6 3 8 6 17 7 9 5 1 7 15 8 4 6 2 4 2 8 2 5 1 2 4 2 2 4 1 2 5 4 7 7 11 14 14 30 16 6 7 7 4 3 3 3 20 23 4 4 5 2 2 1 1 2 1 2 0 1 1 1 2 1 2 1 2 2 4 2 1 2 3 2 1 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 3 12 13 6 2 4 6 9 5 2 5 4 3 7 2 4 5 5 3 6 3 1 1 1 1 1 1 2 6 5 6 11 24 32 37 13 5 1 17 51 10 6 36 70 46 7 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 2 2 1 1 1 1 1 2 1 5 9 1 1 0 1 0 0 1 1 1 1 0 1 1 1 0 0 2 2 3 3 9 14 5 5 4 14 7 27 9 6 8 4 13 100 8 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 t 1H J 60 | 61 61 s 2H | 42 42 d 1H J 65 | 42 41 m 3H | 27 26 m 4H | 20 19 m 2H | 19 18 m 2H | 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.
CCn1c(C(=O)c2ccc(F)cc2)c(C)c2ccccc21
ir: 2 3 5 2 2 1 0 1 1 0 4 5 1 1 1 1 2 4 6 3 1 1 1 1 1 1 0 1 1 0 0 1 1 3 2 1 3 3 2 3 6 8 32 68 14 4 4 5 3 1 9 15 3 3 2 10 23 22 4 0 1 1 1 1 1 1 3 1 6 13 5 3 2 3 7 2 2 1 1 0 1 3 4 1 2 3 4 1 1 1 1 1 1 1 0 1 1 2 2 1 3 3 4 5 3 8 3 1 1 1 1 1 1 4 5 9 14 7 3 3 2 2 2 15 14 9 7 7 3 2 4 3 5 14 23 7 4 3 14 11 12 22 7 1 1 2 5 22 28 4 18 25 4 2 12 25 7 2 1 0 1 4 4 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 3 2 1 1 1 1 1 1 1 2 3 3 5 16 26 9 100 61 45 21 4 1 5 3 1 1 1 2 1 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 78 78 dd 1H J 14 70 | 77 77 td 1H J 14 71 | 75 74 m 3H | 74 73 ddd 1H J 13 64 75 | 43 43 q 2H J 53 | 27 26 s 2H | 14 13 t 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1C(=O)C2(COc3cc[nH]c(=O)c32)c2ccccc21
ir: 3 3 2 3 6 3 2 5 2 2 2 2 2 2 2 2 2 11 8 4 2 2 2 7 2 2 2 2 2 2 2 3 9 3 2 4 4 3 6 4 4 3 23 11 6 67 17 1 6 7 8 2 5 4 3 1 2 2 2 2 3 3 2 2 5 4 3 2 3 2 2 2 7 6 3 1 14 2 3 2 2 2 4 4 3 3 3 2 2 2 3 2 2 2 1 3 2 2 2 3 2 4 3 2 2 2 2 2 4 9 4 5 4 3 4 3 3 4 3 5 6 3 2 2 3 3 4 4 17 3 2 2 6 2 4 2 3 2 10 2 5 6 15 7 13 6 3 3 3 5 15 3 2 2 3 20 5 0 3 14 100 19 4 0 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 3 5 4 4 5 35 10 19 8 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 3 78 13 6 8 5 6 7 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 dd 1H J 58 70 | 73 73 m 2H | 72 72 td 1H J 15 77 | 72 71 dd 1H J 14 65 | 59 59 d 1H J 71 | 49 48 d 1H J 101 | 46 46 d 1H J 101 | 39 38 m 2H | 18 17 m 2H | 14 13 m 5H | 9 9 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)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C
ir: 4 27 58 26 0 33 77 62 27 38 50 38 35 55 58 28 10 38 46 22 12 44 41 18 92 81 60 29 52 79 41 23 16 42 44 22 18 44 32 10 23 74 48 9 19 42 41 20 41 63 37 8 27 53 31 16 45 100 43 12 32 68 50 4 28 44 20 8 53 73 29 14 32 43 18 11 33 46 15 10 33 38 14 12 35 36 12 12 36 34 14 15 40 43 22 48 67 47 26 36 45 29 8 21 52 50 11 23 44 27 3 28 53 25 0 24 48 23 10 29 53 31 12 36 85 36 9 32 45 25 10 32 40 17 11 44 40 27 12 33 36 15 19 44 41 14 14 38 32 11 16 76 37 24 20 42 30 7 19 42 39 20 21 42 26 5 22 43 25 3 23 44 23 4 25 42 22 5 26 41 20 7 27 39 19 8 29 38 17 10 30 37 16 11 32 35 14 12 33 34 13 14 34 32 12 16 36 30 11 17 37 29 10 18 38 28 8 20 39 27 7 21 41 25 6 22 42 24 4 24 42 23 6 25 40 21 7 26 39 20 9 28 38 18 10 29 36 18 12 30 35 16 13 32 34 15 14 33 32 14 16 34 31 12 17 35 29 12 18 37 29 14 22 38 27 9 21 39 26 7 24 44 29 17 40 59 39 63 63 75 32 13 28 41 22 10 28 38 20 12 28 36 19 12 29 34 17 13 30 33 16 15 31 32 15 16 32 31 14 17 33 29 13 18 35 28 12 19 35 27 11 20 36 26 10 21 37 25 9 23 38 24 8 24 38 23 9 25 37 22 10 26 36 20 11 27 35 20 13 28 34 19 14 29 32 18 15 30 31 17 16 31 30 16 17 32 29 15 18 33 28 14 19 34 27 13 20 35 26 12 21 35 25 11 22 36 24 10 23 37; 1HNMR: 78 78 m 1H | 76 76 m 1H | 74 74 m 2H | 74 74 m 1H | 74 73 dd 2H J 12 19 | 74 73 m 2H | 72 72 td 1H J 15 69 | 65 64 dd 1H J 12 25 | 11 11 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCC(O)CCCCCCCCCC
ir: 3 2 5 1 2 4 7 5 4 2 3 3 1 2 3 2 1 1 2 1 1 1 4 1 1 2 1 2 1 1 1 1 1 1 1 2 2 7 12 12 6 4 3 3 5 6 2 1 1 3 3 1 3 2 2 2 3 3 2 1 2 2 4 2 3 4 6 5 4 2 6 5 8 5 5 5 2 2 5 4 1 5 6 12 19 77 48 36 48 74 20 6 6 5 4 5 5 9 1 1 3 4 3 4 6 38 33 19 11 15 13 16 28 12 14 17 20 17 13 21 31 7 4 12 13 3 3 4 3 3 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 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 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 6 5 9 35 21 8 14 9 6 6 17 17 10 41 73 4 7 9 8 0 6 8 15 2 68 100 23 23 10 6 4 4 3 3 2 3 2 3 3 2 2 3 4 3 1 2 2 2 2 1 1 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 38 37 m 1H | 25 24 d 1H J 55 | 16 15 m 2H | 15 14 m 1H | 14 13 m 1H | 13 13 m 3H | 13 13 t 3H J 23 | 13 12 m 26H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(CN2CCCCC2)cc1
ir: 3 4 2 2 2 3 6 8 9 17 6 13 4 9 6 3 1 4 4 5 9 3 2 1 2 3 8 3 1 1 1 1 2 2 2 3 2 8 5 3 2 3 5 2 2 4 7 8 7 11 6 11 12 23 15 7 13 36 5 7 11 69 7 5 5 3 5 5 14 11 84 97 12 10 11 5 10 12 15 11 35 9 2 15 4 4 2 1 1 3 2 9 10 7 31 16 7 5 4 10 13 7 4 3 2 1 2 2 5 6 7 7 3 3 3 3 4 4 2 4 11 8 11 11 11 11 8 11 15 22 15 11 22 72 33 12 13 9 10 5 3 2 2 1 0 1 2 3 8 5 3 2 2 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 2 1 2 2 4 3 3 1 3 3 2 4 5 7 21 30 33 13 6 3 2 3 2 3 2 3 2 4 7 11 10 22 24 20 10 10 13 8 94 100 17 11 9 6 3 3 2 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 m 4H | 41 40 tt 2H J 9 64 | 36 35 d 2H J 8 | 24 23 m 4H | 16 15 dtd 4H J 32 49 60 | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CSc1c(Br)cc(C(=O)OC)c(Cl)c1C=CC
ir: 18 8 10 10 6 9 4 3 4 3 4 3 2 2 2 2 3 6 3 3 3 4 3 6 9 6 4 3 3 2 2 3 3 2 2 2 3 2 3 3 9 5 3 3 2 2 2 2 2 2 2 3 3 2 2 3 4 2 2 2 3 3 5 4 4 10 13 15 9 3 4 7 5 3 19 28 13 11 26 39 6 3 3 2 2 2 2 3 4 2 2 3 2 3 25 10 3 2 3 3 2 4 4 7 5 2 3 2 2 2 3 3 2 3 5 11 20 29 4 23 35 18 27 10 5 3 4 3 10 17 7 4 4 5 3 3 2 2 3 3 3 3 4 6 38 25 5 31 44 9 5 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 3 3 2 3 3 3 4 4 4 2 5 6 5 0 24 100 36 24 24 3 6 7 3 2 3 3 2 1 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 s 1H | 70 69 dq 1H J 16 143 | 63 62 dq 1H J 15 130 | 62 61 dq 1H J 52 143 | 60 59 dq 1H J 51 132 | 39 39 s 2H | 19 19 dd 3H J 16 53 | 18 17 dd 3H J 16 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Nc1nc(NCc2ccccc2)c(Cl)cc1F
ir: 2 1 3 8 9 2 7 9 2 3 2 3 9 11 12 9 2 2 1 1 1 1 1 2 2 2 1 2 2 2 10 7 1 1 1 3 7 9 17 14 20 14 7 1 2 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 2 1 1 0 1 7 4 2 2 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 11 1 1 1 2 1 1 5 3 9 3 2 1 10 1 2 1 1 0 0 0 0 0 1 1 0 1 4 4 3 4 9 6 2 4 3 7 4 2 3 1 1 3 2 1 2 5 8 4 0 13 36 100 12 4 2 2 3 2 1 4 1 2 3 13 34 3 2 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 1 1 1 3 4 12 6 14 14 6 2 1 1 0 1 1 1 0 1 0 1 1 1 1 1 2 1 3 3 12 23 15 96 19 6 4 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 t 1H J 55 | 74 72 m 6H | 71 70 d 1H J 121 | 63 63 d 1H J 44 | 47 47 dt 2H J 7 55 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCc1c[nH]c2ccc3c(=O)n(Cc4ccncc4)ccc3c12
ir: 1 1 0 1 1 1 0 5 3 3 1 2 1 1 1 2 2 0 1 1 1 1 1 1 2 11 18 5 3 1 1 2 5 0 10 5 2 2 1 2 1 1 2 1 2 1 9 3 11 2 1 5 25 10 4 7 6 0 1 2 1 1 1 5 2 0 2 3 4 3 5 6 18 3 4 2 1 1 1 1 1 3 10 5 1 1 1 1 6 7 3 4 1 1 8 1 0 2 4 1 1 1 2 3 6 7 4 2 3 6 2 9 1 1 2 1 0 1 1 1 1 4 8 4 3 7 6 2 4 3 2 3 6 8 3 16 2 3 1 1 1 3 5 10 1 2 1 4 2 2 2 3 2 5 2 0 1 2 8 18 7 1 2 7 3 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 2 1 1 2 2 2 2 3 3 3 5 18 5 5 4 7 6 4 2 2 3 1 1 4 6 14 17 6 3 3 2 3 9 100 75 7 4 20 5 3 1 1 1 2 1 1 2 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 d 1H J 70 | 86 85 m 2H | 80 80 d 1H J 77 | 76 76 dt 1H J 9 75 | 74 73 d 1H J 79 | 73 73 d 1H J 77 | 72 72 dq 2H J 8 38 | 71 70 dt 1H J 9 70 | 51 51 q 2H J 9 | 32 31 tt 2H J 50 64 | 31 30 td 2H J 8 50 | 18 17 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOc1ncc(Br)cc1N1CCOCC1
ir: 31 20 20 11 14 6 6 8 2 18 21 22 5 3 7 6 6 8 5 11 10 12 3 3 3 6 18 27 13 7 9 12 1 2 6 5 5 17 44 100 37 10 6 3 9 5 8 14 4 6 16 5 7 8 6 6 4 2 3 4 2 1 8 6 8 9 20 18 17 3 7 9 12 13 3 3 2 2 2 4 5 2 16 17 28 61 98 77 29 16 8 23 41 70 11 11 6 7 5 17 41 19 4 4 5 3 0 2 4 2 5 14 23 7 1 8 6 2 5 12 16 13 5 10 8 10 14 5 4 4 7 19 7 82 29 15 3 1 1 2 1 0 1 2 2 2 3 22 18 1 1 2 2 9 20 5 2 1 1 4 3 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 3 3 1 2 3 2 1 2 2 3 9 16 4 13 20 11 8 3 3 4 3 46 85 62 9 3 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 d 1H J 16 | 73 73 d 1H J 16 | 42 42 t 2H J 51 | 38 38 m 6H | 36 36 t 1H J 61 | 33 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(OCC3COC(C)(C)O3)nc(C#N)c(-c3ccccc3)c2c1
ir: 4 3 1 5 7 4 3 4 4 3 3 7 6 19 4 5 11 7 6 4 4 6 6 5 8 15 23 23 16 7 22 25 12 5 5 10 6 12 5 31 28 4 3 4 5 6 2 5 5 10 28 6 3 4 3 2 8 11 8 7 6 4 9 7 6 1 12 13 9 30 20 12 9 6 4 5 3 5 8 4 7 7 2 2 1 1 3 8 2 2 2 3 5 4 4 3 7 11 8 13 9 7 10 10 6 3 3 4 3 4 2 3 0 4 5 8 11 10 10 5 3 7 6 9 23 23 25 14 9 21 21 8 3 7 25 4 1 3 4 4 41 45 5 10 10 3 6 2 1 3 3 2 1 3 4 7 5 12 2 1 30 4 1 1 2 2 10 9 1 2 1 0 1 2 1 1 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 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 3 2 2 3 2 4 4 2 8 12 14 15 38 100 37 17 10 2 5 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 89 | 77 77 d 1H J 27 | 75 75 m 2H | 75 74 m 2H | 74 73 m 1H | 70 69 dd 1H J 27 88 | 45 45 dd 1H J 42 132 | 43 42 m 2H | 40 40 dd 1H J 35 116 | 38 38 s 3H | 38 37 dd 1H J 36 115 | 14 14 s 3H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc(NCCNc2cc(/C=C/c3ccccc3)nc(N)n2)n1
ir: 2 5 2 4 3 4 5 6 6 4 5 3 1 3 4 2 6 3 9 3 3 4 6 5 4 5 3 6 4 4 7 3 3 2 2 3 3 2 3 4 4 2 3 3 2 2 2 2 2 3 4 5 7 7 25 12 14 10 9 6 2 5 4 4 6 10 9 3 3 13 8 11 7 3 3 6 3 2 2 2 1 2 2 2 2 1 1 1 1 1 2 2 2 1 2 3 2 2 1 2 2 1 2 5 3 1 3 6 2 2 2 3 2 2 2 1 2 2 2 2 2 2 3 3 2 4 3 2 4 2 2 2 2 2 3 3 8 3 4 9 5 10 8 6 18 13 26 25 10 6 10 12 6 2 3 3 5 26 12 19 9 5 2 1 1 2 2 3 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 3 4 4 11 6 4 3 2 2 2 2 2 1 1 2 2 1 2 2 3 2 10 17 5 4 4 7 17 23 14 6 7 1 3 100 0 3 4 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 42 | 77 76 m 2H | 77 76 d 1H J 156 | 75 74 m 1H | 74 73 m 2H | 73 72 m 1H | 68 67 m 1H | 62 62 s 1H | 62 61 m 1H | 61 61 s 2H | 59 59 d 1H J 42 | 59 59 s 2H | 38 38 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC/C=C/c1cc(CNC2CC2)cc(OC)c1
ir: 2 5 3 2 1 1 3 3 4 3 2 3 1 2 1 2 2 3 2 2 2 3 2 3 1 3 3 1 1 4 21 18 7 7 26 28 24 13 14 17 31 10 22 23 21 10 5 5 6 5 4 3 3 3 6 13 8 17 9 8 3 10 11 18 15 13 54 36 20 21 9 16 11 7 3 10 41 22 3 3 9 4 2 0 3 3 2 7 2 2 1 3 7 16 100 12 10 9 20 21 6 3 2 2 2 3 2 4 5 4 24 10 12 32 47 22 13 11 25 6 3 15 7 7 8 9 13 20 19 11 26 35 21 25 19 8 8 5 2 2 2 1 1 1 1 1 1 3 3 2 7 4 3 3 1 2 7 5 2 5 30 4 3 2 2 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 3 3 6 6 9 13 7 8 47 52 73 31 15 12 23 5 5 3 3 3 3 2 2 3 4 3 5 15 41 53 62 14 10 2 4 2 1 2 1 2 2 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 71 71 tt 1H J 9 22 | 68 67 m 2H | 66 65 dt 1H J 14 152 | 62 61 dt 1H J 43 150 | 41 40 dd 2H J 13 44 | 39 38 m 2H | 39 38 s 1H | 38 38 s 3H | 33 33 s 2H | 26 25 dp 1H J 43 62 | 8 7 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2nc(C#N)cs2)C[C@H](C)O1
ir: 12 14 10 9 13 9 11 12 8 8 10 8 8 14 17 8 6 5 7 12 10 8 8 10 8 14 13 23 6 4 4 4 4 4 4 5 5 4 4 4 4 4 4 6 16 22 20 5 16 18 8 15 19 11 8 7 9 8 12 30 35 17 23 11 12 7 4 4 5 7 9 11 9 18 13 21 38 18 21 11 12 15 4 5 7 6 13 36 20 11 8 15 11 6 7 6 9 10 13 18 41 49 18 15 0 21 10 8 13 12 11 5 4 7 9 16 45 21 27 14 8 11 14 11 7 14 22 22 11 7 8 10 5 5 5 6 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 6 10 13 7 5 6 8 8 7 6 6 7 17 20 17 45 100 33 15 26 25 21 8 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 74 74 s 1H | 39 39 m 4H | 37 36 m 2H | 12 12 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)CCC1(C)C
ir: 0 1 3 3 2 6 15 24 15 9 6 10 21 8 2 1 2 12 34 6 2 4 3 2 1 1 1 2 1 2 2 1 1 2 4 1 1 3 17 15 4 8 32 36 27 30 7 3 4 6 6 7 1 2 1 1 4 3 2 9 2 2 3 2 2 2 3 12 8 22 72 40 3 1 1 3 3 3 3 2 2 3 2 1 2 1 2 2 4 2 3 2 2 3 18 14 7 2 0 27 2 2 2 4 32 1 1 1 1 1 1 3 3 7 5 25 7 7 2 2 2 2 4 4 1 6 9 6 11 6 10 4 6 4 10 13 8 19 17 9 100 9 74 8 5 2 2 1 2 1 1 27 56 18 19 16 1 2 12 2 4 1 1 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 1 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 0 1 1 0 1 1 1 2 1 2 2 3 2 2 2 2 2 1 5 11 8 6 34 19 24 11 5 4 2 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H | 80 79 s 1H | 74 73 m 2H | 72 72 dt 1H J 21 121 | 72 71 dddd 1H J 13 22 68 103 | 41 40 m 2H | 30 29 s 3H | 20 19 t 2H J 65 | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cc(O)c2c(c1)CC(CC)(Cc1ccccc1)CC2=O
ir: 7 13 5 9 9 10 7 7 27 8 8 8 10 7 8 19 14 20 17 56 62 20 17 19 37 44 26 26 14 13 42 34 13 8 19 10 20 10 25 77 20 73 11 13 15 11 10 7 7 4 5 7 6 5 7 15 22 4 7 8 7 7 11 11 35 11 22 36 42 16 15 11 11 25 19 12 9 15 13 13 7 8 22 11 6 9 12 11 21 64 85 23 16 10 8 17 75 19 24 18 21 15 8 7 6 8 9 16 55 25 47 20 15 13 17 18 8 13 19 17 13 20 16 28 10 15 16 6 8 14 9 11 9 16 31 37 12 11 16 10 10 10 29 69 100 50 19 8 5 9 10 26 13 11 9 6 8 85 8 8 7 10 9 4 5 7 5 3 4 7 5 3 5 7 5 3 6 6 5 3 5 6 4 3 5 6 4 3 5 6 4 4 5 5 4 4 5 6 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 3 4 6 5 3 5 6 5 4 5 7 5 3 5 8 6 5 5 6 5 3 5 6 5 4 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 5 5 6 5 7 7 8 8 8 13 14 10 25 14 7 17 11 12 24 42 46 48 70 64 40 18 10 62 73 25 18 5 0 7 13 4 1 6 8 3 2 6 7 3 3 6 6 3 3 6 6 3 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 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 5 4 4 5 5 4 4 5 5 3 4 5 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 4 3; 1HNMR: 74 73 m 2H | 73 72 m 1H | 72 71 dq 2H J 11 72 | 67 67 dp 1H J 8 17 | 67 66 dt 1H J 9 20 | 42 41 q 2H J 65 | 30 29 d 1H J 167 | 29 29 dd 1H J 7 141 | 28 26 m 7H | 26 25 dt 1H J 9 135 | 17 16 dq 1H J 71 140 | 15 14 dq 1H J 70 139 | 13 12 t 3H J 66 | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1
ir: 2 2 3 1 1 1 1 3 2 1 2 3 1 2 2 4 4 7 4 3 1 5 6 6 3 2 3 4 3 9 5 6 6 19 9 3 4 4 4 4 12 4 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 2 2 3 3 1 2 1 2 2 2 3 1 2 2 1 1 1 1 1 1 1 1 5 2 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 5 5 2 3 1 2 1 1 1 1 1 1 1 1 3 7 3 1 1 1 1 4 17 16 10 21 9 6 4 24 1 3 5 2 2 1 2 10 15 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 6 3 14 10 6 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 9 2 1 1 2 3 6 22 11 4 3 0 24 100 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 75 75 m 2H | 74 73 m 9H | 65 64 m 2H | 55 55 dd 1H J 8 82 | 51 51 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc2c(c1)CCC(=Cc1ccc(F)cc1)C2=O
ir: 7 2 6 32 8 3 4 12 6 2 2 2 3 3 1 1 2 3 5 2 4 2 1 2 2 1 11 7 4 1 1 2 3 0 2 8 3 1 2 4 2 2 1 3 2 2 21 34 21 6 5 3 4 3 8 34 57 9 4 2 4 1 4 3 3 3 4 11 3 2 5 4 4 2 5 4 1 1 2 2 3 16 2 2 1 2 8 6 1 2 4 4 1 1 6 8 3 2 7 7 2 2 3 10 19 1 2 2 1 1 3 8 4 10 10 4 11 25 9 3 0 4 8 11 43 7 28 4 18 4 3 15 4 3 2 1 1 3 12 1 1 3 3 2 5 38 79 5 15 20 2 6 15 3 1 7 2 3 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 3 4 3 2 4 2 2 4 12 18 20 32 100 63 7 5 4 3 2 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 20 88 | 79 78 m 2H | 75 75 m 2H | 72 72 m 1H | 72 71 m 2H | 44 43 q 2H J 64 | 32 31 m 2H | 29 29 m 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)NNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
ir: 0 1 3 2 1 2 4 2 1 5 4 1 2 2 8 7 2 2 3 3 3 3 4 3 5 4 8 4 3 6 5 4 3 5 7 21 9 4 6 14 12 5 6 3 5 5 8 9 68 32 9 15 14 35 29 7 6 4 2 1 4 4 5 5 3 2 1 2 8 6 5 2 2 2 2 1 2 3 3 1 2 2 3 3 3 2 6 3 3 4 3 1 3 4 1 5 3 4 22 19 2 3 2 3 3 4 3 3 2 6 3 2 3 2 5 3 7 3 2 3 4 3 3 3 4 2 4 5 4 4 6 8 4 5 51 14 5 1 2 30 36 14 45 17 6 6 25 11 21 20 3 5 4 7 5 0 9 9 7 100 54 5 4 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 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 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 1 1 2 3 2 2 2 3 4 9 10 5 4 36 18 13 18 13 7 3 2 1 2 3 2 1 2 2 2 1 2 2 1 2 3 10 8 12 77 19 3 3 3 3 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 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 89 88 d 1H J 68 | 87 87 d 1H J 64 | 85 84 s 1H | 73 73 dddd 1H J 7 21 30 122 | 73 71 m 2H | 70 69 d 1H J 68 | 51 50 m 1H | 38 37 ddd 1H J 25 44 109 | 36 35 dtd 1H J 14 26 110 | 24 23 dddd 1H J 38 50 68 121 | 21 19 m 4H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc([C@H](Cc2c[nH]c3ccccc23)NC2CCC(c3ccccc3)(N(C)C)CC2)n1
ir: 11 8 6 3 4 4 2 3 4 2 1 6 8 6 3 7 7 2 3 6 6 2 1 3 5 3 12 13 3 4 8 8 7 12 13 10 8 8 6 10 19 35 63 22 27 14 13 18 11 1 2 3 3 3 2 3 6 9 11 14 5 1 8 5 4 5 4 17 17 27 14 13 19 15 16 23 7 5 6 6 5 7 3 6 5 4 5 20 7 2 3 3 2 6 9 9 5 5 27 4 7 3 8 9 18 13 35 33 32 14 32 13 10 18 23 13 5 23 14 14 13 8 16 13 20 15 16 11 16 16 20 16 14 18 13 30 22 12 18 14 10 9 8 8 22 13 11 3 4 2 3 5 24 10 11 6 2 3 2 6 10 6 3 1 3 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 2 3 10 7 6 7 10 6 6 11 12 24 16 24 16 29 70 53 50 57 100 31 13 9 8 2 4 7 3 1 3 3 2 0 2 4 3 4 8 9 13 5 3 6 10 12 6 5 3 2 3 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 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 93 93 d 1H J 68 | 77 76 m 1H | 74 73 dd 1H J 14 77 | 73 73 m 2H | 73 72 m 1H | 72 72 m 4H | 72 71 m 2H | 68 68 s 1H | 46 45 dt 1H J 59 82 | 33 32 m 1H | 31 31 ddd 1H J 7 59 157 | 29 28 m 1H | 26 25 dp 1H J 47 79 | 25 24 s 2H | 23 23 s 5H | 23 22 ddd 2H J 62 87 135 | 20 18 m 4H | 17 16 dddd 2H J 48 61 86 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1cc2c(=O)c(Cc3cccnc3)cn3c4ccc(Br)cc4c(c1)c23
ir: 2 5 7 7 6 6 4 3 1 2 3 2 1 2 3 8 5 2 2 1 2 3 6 1 4 7 3 1 6 4 7 4 7 18 14 6 6 2 3 3 6 3 7 46 5 3 7 12 20 2 4 12 19 53 12 22 23 8 5 4 2 4 10 11 9 42 69 17 18 10 15 10 10 1 3 11 2 12 5 3 3 1 1 3 5 2 1 1 0 2 6 4 2 2 3 2 2 3 2 3 9 6 3 3 3 5 10 2 2 1 6 9 19 12 23 5 9 13 5 9 17 5 18 11 4 3 5 20 30 18 6 3 3 6 8 5 3 3 12 67 15 2 12 7 42 40 27 4 3 14 15 23 13 16 13 3 1 2 6 5 1 2 3 10 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 3 4 4 5 2 2 3 2 6 2 20 14 35 91 100 30 16 12 2 2 4 2 1 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 13 | 85 85 dt 1H J 10 20 | 85 84 ddd 1H J 13 21 42 | 84 84 d 1H J 27 | 82 81 d 1H J 77 | 80 80 d 1H J 23 | 76 74 m 3H | 73 72 dd 1H J 43 77 | 47 47 s 2H | 43 42 q 2H J 66 | 37 37 q 2H J 10 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Nc2ccccc2)n[nH]c1C
ir: 4 4 2 6 17 6 3 4 6 6 5 3 4 4 2 3 4 3 3 3 3 4 3 4 4 3 3 6 17 8 4 4 4 4 4 4 8 6 11 5 5 9 20 36 13 8 4 4 26 100 7 9 5 0 3 7 3 0 3 5 4 1 3 6 5 2 5 15 11 13 5 5 3 3 4 5 5 7 6 8 3 2 4 4 3 2 4 4 2 2 4 4 2 6 5 4 2 10 7 5 4 5 5 4 2 8 24 17 31 10 5 3 3 3 5 4 2 5 5 3 2 4 5 3 2 4 5 6 4 4 4 3 5 4 6 15 6 11 5 3 3 4 13 4 7 5 3 3 3 6 16 45 24 17 21 4 5 15 6 2 3 7 15 62 8 4 3 3 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 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 3 2 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 4 4 2 4 4 3 3 3 4 3 3 3 4 3 3 4 16 9 6 11 31 20 6 7 6 4 3 4 4 3 3 3 4 4 5 7 5 4 4 5 7 14 16 15 51 13 14 44 19 6 4 4 4 3 3 3 3 3 3 4 3 3 3 3 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 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 4 3 2; 1HNMR: 98 98 s 1H | 77 77 m 2H | 73 73 m 2H | 69 68 tt 1H J 12 70 | 44 43 q 2H J 64 | 25 25 s 3H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1csc(COCc2ccccc2)c1
ir: 2 2 2 2 2 1 0 2 5 2 2 4 7 6 2 2 1 1 0 1 1 1 1 1 1 1 0 1 2 3 6 10 3 2 3 6 7 4 13 63 100 5 6 4 3 3 2 2 1 0 1 4 3 3 7 8 23 10 7 5 1 1 2 5 6 1 5 8 5 7 3 6 6 2 8 5 3 3 2 1 1 0 1 1 1 1 7 14 9 5 5 2 1 3 3 2 2 8 4 1 1 1 1 1 0 1 1 1 0 1 1 1 1 7 3 2 1 2 4 12 6 2 2 1 0 2 2 2 1 1 1 1 1 3 19 18 19 2 1 3 3 2 3 5 5 2 2 2 1 1 1 4 5 7 4 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 3 4 3 8 27 38 16 24 23 3 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 73 m 5H | 72 72 d 1H J 16 | 71 70 dt 1H J 9 18 | 47 46 d 2H J 7 | 45 45 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1
ir: 2 1 1 1 0 1 4 9 16 4 2 2 2 0 1 1 1 1 1 1 1 1 2 2 9 2 1 1 2 4 6 0 1 1 2 5 12 12 9 5 6 30 46 100 21 6 3 4 2 2 1 1 1 0 3 7 5 2 1 1 1 1 0 1 1 1 2 3 4 2 0 1 0 0 0 1 2 4 1 1 1 1 0 1 0 0 1 1 0 0 1 2 2 0 1 2 4 4 2 2 1 2 3 4 13 4 2 6 1 1 1 1 2 8 4 2 1 1 2 1 3 2 2 1 1 1 1 2 1 2 2 0 1 2 4 4 3 5 10 1 1 3 1 2 2 2 1 3 4 20 17 44 11 15 21 5 3 2 1 1 9 4 2 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 1 2 5 4 7 18 58 9 4 7 3 2 1 1 1 1 1 1 1 1 1 1 1 0 0 3 4 2 6 14 49 40 5 7 2 2 1 1 1 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 84 84 s 1H | 83 82 d 1H J 21 | 76 76 d 1H J 92 | 75 75 dd 1H J 21 91 | 74 73 m 2H | 73 72 m 2H | 70 70 tt 1H J 11 68 | 46 46 t 2H J 38 | 37 37 t 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(NC(=O)Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1
ir: 0 2 2 1 0 1 1 1 1 1 4 4 2 3 3 14 32 1 1 1 3 2 2 2 1 6 2 4 2 2 2 5 6 17 5 1 4 3 3 1 1 12 22 14 4 4 22 30 29 3 8 5 8 11 12 29 20 11 2 2 2 3 2 1 1 2 7 8 8 6 1 0 1 2 4 2 4 2 1 0 1 1 1 1 1 6 4 2 3 1 2 1 1 1 1 1 1 2 4 2 2 1 1 3 17 2 1 1 1 17 5 2 2 2 9 1 1 1 0 2 2 1 0 1 1 1 3 2 2 0 0 1 1 2 2 2 2 2 0 10 2 3 7 2 10 5 1 4 3 6 16 24 8 31 100 7 4 5 1 3 1 1 1 2 56 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 5 12 11 72 31 2 3 3 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 2 3 6 7 43 36 7 28 6 2 2 2 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 100 99 s 1H | 89 89 s 1H | 82 82 s 1H | 78 77 s 1H | 75 73 m 8H | 68 68 m 2H | 41 40 q 2H J 67 | 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.
Nc1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
ir: 7 4 12 26 33 13 17 9 19 12 13 9 10 6 3 7 6 4 2 9 4 4 1 5 2 2 2 1 1 2 2 3 5 3 3 9 12 6 2 2 2 5 2 7 4 4 1 3 3 2 3 3 7 8 12 7 4 1 2 4 4 3 2 2 1 2 7 15 12 15 2 6 1 1 0 0 2 16 4 2 1 0 1 1 1 1 2 4 10 8 7 5 4 2 7 14 2 2 2 3 11 14 6 18 13 4 4 4 2 2 1 1 1 1 1 1 1 2 3 4 0 4 1 2 2 5 4 10 5 1 2 0 0 1 1 0 0 1 1 0 0 1 1 1 3 2 1 1 4 11 22 10 4 7 14 31 42 32 6 3 2 2 14 18 2 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 2 2 2 1 2 1 1 5 6 6 17 19 20 5 2 1 0 0 1 1 0 0 1 1 1 0 1 2 2 45 28 12 1 0 1 1 0 0 2 2 0 54 100 17 5 3 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 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 d 1H J 92 | 66 65 dd 1H J 22 92 | 65 64 d 1H J 22 | 48 47 dq 4H J 130 187 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)C1CC1
ir: 5 3 8 3 2 5 4 3 3 4 6 2 4 5 8 5 9 7 4 1 4 7 9 6 3 4 8 2 4 4 4 2 2 5 4 8 17 17 12 12 28 17 31 11 6 2 4 2 3 4 3 4 2 6 5 3 5 4 5 2 3 4 4 6 3 3 2 0 2 2 1 0 3 5 9 8 4 4 1 2 7 10 23 15 8 16 15 7 5 4 7 7 4 4 3 3 6 6 8 4 2 6 5 6 3 3 2 2 3 3 1 4 5 6 5 5 5 6 10 10 14 20 23 21 9 12 9 8 27 15 7 5 6 6 7 6 8 13 24 22 12 59 38 66 100 57 39 35 27 9 11 7 4 5 3 3 3 2 2 1 3 3 3 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 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 1 2 3 2 2 4 6 5 18 8 7 4 4 6 18 12 24 31 21 30 26 21 5 18 18 8 7 4 1 3 2 1 2 2 3 2 1 2 2 1 1 1 2 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 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 42 41 q 2H J 66 | 34 34 s 2H | 23 22 p 1H J 59 | 13 12 t 3H J 66 | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)c(C(C)C2CCN(C(=O)OCc3ccccc3)CC2)n2ncccc12
ir: 26 22 12 43 12 31 39 51 21 9 52 9 5 11 7 14 16 6 3 6 6 17 6 3 15 8 5 7 10 13 25 24 15 15 8 12 5 12 23 62 73 34 16 12 17 11 6 2 38 83 4 1 8 4 4 4 4 25 12 2 4 4 6 4 4 8 14 17 15 100 45 55 10 7 6 8 20 75 15 7 6 22 1 10 5 8 5 11 45 35 7 4 3 5 3 3 4 15 20 6 5 7 13 27 18 9 20 34 77 69 15 14 28 24 22 17 14 41 38 46 14 38 62 15 39 20 4 11 7 30 36 58 40 32 25 96 34 17 33 35 25 35 10 23 6 25 39 10 16 10 42 45 75 20 14 8 4 0 2 5 3 3 81 7 5 1 2 3 2 0 2 3 1 1 2 3 2 1 2 3 1 1 2 4 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 3 2 2 2 3 2 2 8 7 7 5 4 6 14 5 7 9 7 12 14 12 34 42 60 27 66 54 29 41 19 9 14 6 2 9 5 2 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 83 82 dd 1H J 14 56 | 80 80 dd 1H J 13 80 | 75 75 dd 1H J 56 82 | 74 73 m 5H | 52 51 s 2H | 44 43 q 2H J 64 | 37 36 m 2H | 34 33 m 2H | 32 31 m 1H | 22 22 s 2H | 20 19 m 3H | 17 16 m 2H | 14 14 t 3H J 64 | 13 13 dd 3H J 12 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(OC)c(-c2ccccc2)cc2ncc(-c3ccccc3)nc12
ir: 3 4 3 10 3 9 3 5 4 4 6 11 3 2 2 1 3 7 1 2 2 2 3 8 6 2 1 3 3 5 20 7 3 21 7 5 28 3 3 4 4 0 17 7 2 2 2 2 2 1 2 2 3 7 2 2 2 1 2 7 3 1 2 2 2 1 3 13 19 3 11 3 5 28 4 2 2 3 4 6 7 1 2 2 1 1 1 2 1 2 3 3 2 1 3 3 5 14 3 3 3 4 2 2 1 1 1 2 1 3 2 1 1 2 2 4 3 3 4 3 4 3 17 12 6 8 3 3 2 3 5 2 2 6 14 10 2 2 3 4 12 5 3 12 16 7 7 5 12 15 5 7 2 9 3 1 2 6 2 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 2 2 3 3 10 5 7 39 100 44 10 8 3 4 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: 93 93 s 1H | 84 84 s 1H | 81 81 m 2H | 76 75 m 2H | 75 74 m 6H | 74 73 m 1H | 40 40 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(NCc2ccc(Cl)cc2)CC1
ir: 1 4 10 14 15 31 3 5 7 7 13 20 27 7 2 2 3 2 3 15 4 3 1 1 1 2 1 2 4 7 3 2 2 10 8 2 3 4 1 8 27 55 13 18 25 3 7 5 8 6 13 9 15 15 6 20 15 11 8 5 3 6 4 2 1 2 1 1 11 0 9 17 2 3 5 3 5 5 1 1 1 1 1 1 1 2 5 2 2 2 1 1 3 10 9 3 4 7 2 5 2 4 6 5 23 10 8 4 5 4 2 5 11 5 7 5 33 15 11 20 14 11 10 20 4 7 7 13 10 25 18 16 9 11 47 10 11 17 8 2 1 2 2 2 5 5 26 13 5 1 9 84 9 3 2 1 1 1 2 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 3 6 4 3 3 4 3 3 4 13 63 15 24 36 6 10 4 19 2 3 2 3 1 1 1 2 1 0 1 3 4 9 74 100 18 3 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 39 38 dt 2H J 9 54 | 37 36 ddd 2H J 60 87 130 | 34 33 ddd 2H J 60 87 130 | 30 30 dp 1H J 40 68 | 26 25 dt 1H J 53 68 | 21 20 dddd 2H J 41 60 88 128 | 18 17 dddd 2H J 40 59 86 128 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C(=O)Nc2cccc(N)c2)cc1
ir: 11 40 12 6 6 6 3 4 5 2 1 2 4 3 6 14 11 7 1 7 7 4 2 7 7 2 3 4 8 3 4 5 5 11 51 33 5 2 4 4 5 11 45 24 5 7 8 27 13 5 4 5 3 1 3 5 4 9 3 5 2 0 2 4 2 0 3 31 5 4 3 3 2 2 3 3 3 2 3 3 4 3 10 10 3 1 3 2 3 3 3 3 1 4 11 2 1 1 3 2 1 3 7 4 1 2 3 2 2 6 4 3 2 6 4 2 0 2 3 2 1 3 3 4 1 4 3 2 2 8 4 1 1 2 3 1 1 2 3 2 3 5 59 100 7 16 9 2 6 4 4 23 8 21 9 2 8 70 25 7 5 9 9 22 4 3 2 1 1 3 2 0 2 2 2 0 2 3 2 1 2 2 7 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 0 1 2 2 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 1 2 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 4 3 4 10 19 37 17 4 5 4 2 2 2 3 3 1 2 3 2 1 2 3 3 18 32 11 3 4 7 16 41 15 5 4 4 21 29 4 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 97 96 s 1H | 82 81 m 2H | 81 80 m 2H | 73 73 ddd 1H J 13 22 82 | 73 72 dd 1H J 75 83 | 70 70 t 1H J 21 | 65 65 ddd 1H J 13 22 75 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C12CC(c3ccc(O)cc31)c1ccc(Cl)cc12
ir: 17 11 15 9 5 5 4 5 2 1 0 5 4 8 6 4 8 4 2 1 1 1 1 1 1 1 0 1 1 1 4 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 5 6 33 30 13 2 1 4 2 1 0 1 2 5 17 31 17 1 2 9 2 1 1 1 3 3 3 6 23 2 11 100 17 30 1 6 0 7 8 9 3 13 11 5 2 1 1 1 4 2 11 3 1 1 1 1 29 5 2 1 1 1 1 1 1 2 1 1 4 2 1 2 4 7 5 3 2 1 3 1 1 1 2 1 2 1 2 3 41 5 27 1 1 2 1 4 1 1 1 19 18 7 15 1 0 1 1 1 2 5 2 5 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 2 1 2 4 3 2 6 4 1 18 57 33 9 4 0 2 2 3 26 12 4 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 4H | 69 69 d 1H J 22 | 67 66 dd 1H J 20 84 | 65 64 s 1H | 41 40 dd 1H J 36 43 | 37 37 s 3H | 28 27 dd 1H J 39 135 | 25 25 dd 1H J 40 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1S(=O)(=O)c1ccc(C)cc1)C(O)C(Br)C(C)(C)O2
ir: 9 4 7 2 4 3 6 8 17 19 30 6 11 11 49 9 1 4 3 1 1 3 2 4 4 10 3 2 8 4 4 6 9 2 3 33 4 3 7 9 2 3 2 2 5 3 2 2 2 3 3 2 17 5 2 1 2 2 2 1 4 11 4 12 7 10 25 26 15 18 6 1 2 13 8 3 2 9 13 2 4 8 2 11 100 39 17 19 35 9 6 7 8 26 33 3 10 9 1 8 15 8 7 4 3 3 0 1 3 2 0 2 5 3 2 3 4 3 4 13 5 3 4 5 10 15 8 4 6 6 20 6 4 1 1 2 2 1 1 2 18 3 1 2 3 1 5 24 24 3 2 4 5 8 23 4 2 0 1 3 4 1 10 8 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 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 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 3 5 3 3 3 2 1 2 2 3 2 4 4 4 8 16 8 13 29 16 9 3 3 4 7 6 18 7 3 2 1 3 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 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 79 d 1H J 6 | 78 78 m 2H | 72 72 m 2H | 67 67 s 1H | 53 53 m 1H | 42 42 dp 1H J 15 84 | 40 40 d 1H J 37 | 38 37 s 2H | 24 24 d 3H J 10 | 15 15 d 3H J 14 | 15 15 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C)n2c1C(CCc1ccc(F)c(F)c1)NCC2
ir: 1 1 1 2 1 1 3 7 11 11 6 8 7 3 2 1 2 2 2 6 6 6 3 2 2 0 1 1 3 4 2 2 1 1 2 4 2 1 1 3 1 1 1 4 6 3 2 2 3 3 12 22 9 7 17 34 24 15 7 5 3 5 7 10 9 13 6 9 15 14 9 1 2 1 2 1 1 1 1 1 1 1 1 0 4 9 8 4 1 0 1 1 2 4 2 2 2 8 2 2 6 2 3 2 6 16 21 6 3 5 5 4 2 16 23 16 10 4 3 2 6 9 8 9 11 4 5 4 7 14 8 4 3 6 8 9 12 2 2 22 14 13 14 9 1 3 2 1 3 30 5 2 4 2 1 1 1 1 1 1 1 2 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 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 2 1 2 2 2 2 3 2 3 3 5 2 1 2 15 12 11 7 20 11 3 3 3 3 1 1 1 1 1 1 2 1 2 3 3 5 4 22 100 53 6 3 0 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 71 70 ddd 1H J 47 91 100 | 70 69 dddd 1H J 9 19 35 91 | 69 69 dddt 1H J 9 16 32 121 | 45 45 dt 1H J 49 64 | 41 40 m 2H | 33 32 dt 1H J 27 64 | 32 31 dddd 1H J 16 27 35 126 | 31 30 dddd 1H J 15 26 35 126 | 29 28 dtt 1H J 9 75 141 | 28 27 dtt 1H J 9 75 139 | 26 25 s 2H | 24 23 s 2H | 23 22 dtd 1H J 49 76 134 | 21 20 dtd 1H J 49 75 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)ON(CCc1ccccc1)C(=O)c1ccc(Br)cn1
ir: 0 2 3 3 5 4 2 4 1 2 3 6 1 2 3 0 1 1 1 1 1 2 2 2 1 1 1 1 4 4 4 42 29 6 7 2 3 2 3 4 31 8 3 7 6 4 2 13 1 0 1 2 2 2 22 4 4 5 1 1 1 4 2 3 2 6 2 2 4 30 4 2 1 1 1 1 3 3 4 1 1 1 0 0 1 0 0 1 7 9 14 6 2 1 0 1 1 4 6 4 5 1 2 36 2 1 0 2 3 9 1 1 2 3 2 2 4 2 100 4 6 5 2 3 5 8 20 8 56 10 9 12 26 10 5 25 2 2 1 0 0 3 3 12 18 18 7 55 2 2 4 2 10 1 2 1 1 1 1 7 3 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 4 1 1 2 1 1 1 1 1 7 0 3 15 11 12 21 43 26 21 7 2 2 1 1 2 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 18 | 79 79 dd 1H J 20 86 | 78 78 d 1H J 86 | 73 73 m 2H | 73 72 m 3H | 38 38 t 2H J 53 | 30 29 tt 2H J 9 53 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)N(C(C)C)C(C)C)cc3)c2cc1OC
ir: 2 3 3 2 3 4 4 3 4 7 4 5 3 6 6 3 4 6 8 3 2 3 3 4 3 4 3 5 8 17 11 5 4 5 3 2 3 3 4 2 3 4 2 3 4 3 3 3 3 5 14 5 11 10 14 100 49 74 9 0 4 8 3 3 6 6 4 2 44 11 4 2 4 6 8 6 4 4 8 4 4 4 2 2 3 4 4 3 5 4 2 2 3 4 2 2 4 9 5 4 4 12 4 3 8 7 2 3 3 3 2 2 3 3 4 9 5 4 3 4 4 5 2 3 4 4 3 7 5 3 4 6 4 3 2 3 4 3 4 5 3 4 11 4 4 3 6 11 6 18 18 12 94 46 12 10 26 5 7 11 3 3 3 6 2 2 6 4 3 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 4 3 3 3 4 4 5 8 15 13 57 19 6 4 5 3 3 3 2 3 3 3 2 3 3 2 2 3 4 2 4 13 11 15 25 30 20 19 5 9 4 5 3 3 2 2 2 2 2 2 3 4 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 86 86 d 1H J 49 | 84 84 s 1H | 77 76 s 1H | 76 76 m 2H | 74 74 s 1H | 69 69 m 3H | 39 39 m 4H | 39 38 d 1H J 62 | 39 38 s 3H | 12 12 d 13H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc2sc(Sc3c(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4Cl)cc3Cl)nc2c1
ir: 7 6 9 8 6 10 4 5 8 9 4 5 3 9 15 17 13 15 10 13 18 23 14 6 8 15 7 5 7 7 7 6 4 18 10 33 6 6 73 19 7 3 7 6 2 3 3 9 9 6 4 4 3 5 9 7 2 2 2 2 4 5 2 3 23 11 19 30 16 5 5 6 4 3 2 2 2 1 27 4 4 9 10 10 11 8 32 12 3 3 7 14 9 6 8 16 7 2 2 3 3 3 10 22 21 37 4 3 1 1 2 2 2 2 4 6 4 2 2 5 6 8 4 8 16 17 5 3 3 4 10 11 4 5 8 3 4 2 4 3 1 4 5 1 0 11 2 5 12 2 2 5 5 6 13 7 2 3 100 18 12 11 2 7 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 2 3 2 2 2 3 16 67 18 6 3 3 2 3 2 1 2 2 2 2 2 1 2 2 5 15 3 3 2 3 5 5 3 22 52 38 7 14 67 1 4 2 1 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 86 86 dd 1H J 7 18 | 79 78 m 3H | 77 77 d 1H J 21 | 75 75 dd 1H J 22 95 | 73 73 s 2H | 73 73 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCOc1cccc(CCC2(O)CCC2)c1)C(F)(F)F
ir: 4 2 2 2 1 3 2 2 1 1 0 1 2 1 2 1 1 2 6 2 0 2 0 2 3 2 3 4 2 1 2 7 2 3 9 9 16 13 12 18 9 2 5 4 4 12 14 18 7 6 2 2 3 1 2 1 1 2 2 3 1 2 3 4 3 3 5 6 11 9 12 22 2 3 10 19 9 13 6 12 6 3 6 5 2 4 1 8 9 6 6 18 6 4 1 1 4 3 11 15 2 1 2 1 0 1 3 5 7 4 6 32 57 9 4 4 7 3 4 3 4 4 7 4 7 16 6 5 2 1 2 1 2 5 2 1 2 3 1 4 7 17 2 7 29 43 41 21 4 3 2 2 9 2 3 36 10 1 1 3 9 1 1 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 3 5 3 3 3 5 8 1 4 2 3 6 7 6 5 51 11 2 3 6 2 8 31 100 17 9 5 6 3 11 3 4 3 2 1 1 3 4 21 42 25 24 17 13 4 3 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 t 1H J 80 | 69 69 ddd 1H J 13 22 81 | 69 68 m 2H | 67 66 td 1H J 10 22 | 42 41 t 2H J 35 | 36 35 q 2H J 36 | 28 28 s 1H | 27 26 tt 2H J 9 77 | 20 18 m 4H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCN1C(=O)C=C(C)C1=O
ir: 21 7 3 3 2 2 4 1 0 2 4 2 1 2 4 2 1 3 4 2 1 2 2 1 1 2 2 1 1 2 4 3 7 7 7 2 4 3 4 4 5 26 41 40 12 10 9 45 28 13 3 2 3 3 3 1 2 4 4 0 15 38 41 18 30 23 26 8 7 4 4 3 5 8 5 2 3 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 3 2 4 3 5 2 2 3 5 3 2 14 30 19 48 18 5 10 14 20 16 11 15 8 61 25 43 25 12 10 12 5 3 6 4 3 1 3 4 5 10 18 10 6 2 3 6 17 19 3 2 1 2 2 2 1 1 2 3 4 45 100 96 4 26 88 14 2 2 3 2 1 1 3 2 1 1 2 1 1 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 3 5 2 6 7 6 11 7 7 12 7 6 4 6 29 16 21 9 6 50 13 34 3 6 13 6 8 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 64 63 s 1H | 37 37 t 2H J 59 | 21 21 s 2H | 17 16 p 2H J 59 | 13 12 m 9H | 12 11 m 2H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1cc(F)c2c3c1ccc(=O)n3[C@H](COS(C)(=O)=O)CO2
ir: 14 6 17 17 12 35 10 9 13 8 8 9 2 2 1 6 3 5 6 6 1 3 2 1 3 7 2 6 3 1 1 3 3 3 7 7 4 1 1 2 1 1 2 6 7 39 74 9 8 10 3 4 8 2 1 4 4 7 8 5 5 1 3 5 13 9 11 9 43 22 8 16 12 40 28 6 7 7 6 6 25 17 19 31 6 4 22 14 69 28 7 3 3 6 5 2 7 9 15 28 45 44 21 9 6 5 25 13 11 3 1 5 9 14 8 6 4 4 5 9 7 15 15 4 5 4 5 5 3 13 15 6 6 23 11 7 11 10 6 14 8 3 2 7 9 20 31 41 5 4 10 7 11 3 2 0 1 8 10 100 13 6 27 7 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 2 2 2 2 3 4 2 2 3 8 15 7 40 57 46 25 15 28 57 23 8 3 2 2 4 1 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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: 83 83 d 1H J 93 | 78 78 d 1H J 159 | 74 74 d 1H J 121 | 66 66 d 1H J 93 | 64 64 d 1H J 157 | 46 44 m 3H | 43 43 m 1H | 43 42 dd 1H J 78 110 | 42 41 q 2H J 61 | 31 30 s 2H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1Nc1ccc(C(F)(F)F)cc1Cl
ir: 1 1 2 1 2 3 3 1 2 5 2 3 12 5 5 4 1 1 1 1 1 3 3 3 2 3 1 1 2 1 1 0 0 1 2 2 3 4 25 13 3 4 4 26 1 1 1 0 2 5 2 4 1 3 1 19 1 2 1 3 1 1 1 1 4 2 1 5 2 1 1 1 2 1 0 0 1 1 0 0 3 1 0 1 1 1 1 0 1 1 1 1 3 3 0 0 1 1 4 8 2 1 7 1 1 1 0 0 1 1 1 1 2 32 0 1 2 2 5 3 1 1 0 1 2 3 14 81 5 1 0 3 29 0 0 1 4 1 3 1 1 0 0 1 1 0 0 1 1 0 1 3 2 6 48 11 4 1 1 7 2 1 2 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 6 100 5 3 7 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 2 1 1 0 1 53 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 dd 2H J 31 51 | 79 79 s 1H | 78 78 dd 2H J 31 51 | 77 77 dq 1H J 9 20 | 76 75 ddt 1H J 13 27 64 | 72 72 d 1H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccc(Nc2cc(-c3cnc(Cl)c(S(=O)(=O)NC4CCC4)c3)ccn2)n1
ir: 10 14 3 10 3 5 7 3 5 5 4 3 2 7 6 7 3 2 4 2 4 7 6 5 7 5 13 10 7 9 4 5 8 12 15 18 24 7 4 4 12 10 20 8 12 16 49 28 6 5 8 4 3 3 4 6 7 4 2 3 5 4 3 8 9 44 42 28 8 2 6 5 11 24 29 14 6 4 3 1 7 13 4 5 5 30 19 4 6 7 2 2 1 4 4 4 2 2 2 4 2 5 6 12 21 6 10 27 47 65 65 15 10 5 8 3 3 3 4 2 3 2 5 4 4 10 15 13 5 6 10 8 3 13 7 3 3 13 15 12 4 13 3 3 2 6 25 13 17 46 61 18 13 15 17 4 7 16 34 72 13 5 8 4 32 23 10 5 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 5 2 2 2 3 1 2 7 13 7 21 10 6 3 2 2 1 1 1 1 2 2 1 1 2 2 2 4 7 6 15 100 58 17 11 12 29 30 6 2 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; 1HNMR: 88 88 d 1H J 16 | 87 87 d 1H J 16 | 86 86 s 1H | 84 83 d 1H J 47 | 83 82 d 1H J 40 | 75 74 dd 1H J 21 49 | 74 74 m 2H | 63 62 d 1H J 90 | 33 32 m 1H | 25 25 s 2H | 19 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2cncc(-c3ccc(Cl)cc3)c2c1
ir: 2 2 2 1 1 2 8 2 2 2 2 8 4 2 2 2 3 15 2 1 4 11 12 10 2 3 2 4 3 14 3 2 2 2 2 2 3 2 2 1 1 2 2 1 2 1 2 2 2 2 4 11 3 2 12 0 4 4 2 1 2 2 2 1 3 2 2 2 7 6 8 4 2 2 7 1 2 4 17 6 1 7 2 3 2 4 2 2 1 3 4 5 3 2 2 1 2 2 2 2 2 2 2 2 6 2 1 2 2 2 1 2 17 3 4 4 5 5 2 2 2 3 3 2 2 2 3 8 2 1 1 2 2 1 1 3 2 1 2 4 10 57 4 1 1 4 35 6 3 2 2 7 2 2 2 1 2 2 2 1 1 2 3 2 1 1 2 2 2 2 2 1 2 2 4 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 4 2 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 2 2 2 2 2 2 2 3 19 30 12 6 3 4 2 1 2 5 100 74 3 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 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 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; 1HNMR: 90 90 t 1H J 19 | 87 87 d 1H J 17 | 87 87 m 1H | 82 82 dd 1H J 20 88 | 81 80 dd 1H J 15 88 | 76 75 m 2H | 74 74 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(F)cccc1Oc1cc2ccc(F)c(F)c2nc1C
ir: 15 2 1 2 3 3 2 5 7 3 5 4 6 8 1 5 8 6 3 11 14 5 6 18 13 6 4 5 15 18 34 7 7 4 3 5 8 3 2 4 3 1 4 6 4 12 8 11 39 83 95 24 12 1 22 9 4 1 4 5 3 3 5 9 6 5 10 10 40 23 12 9 13 5 6 6 3 2 12 5 2 2 5 4 1 1 4 4 3 13 5 2 3 10 3 2 2 3 3 3 3 27 16 46 4 5 6 12 4 5 5 3 6 4 5 5 28 25 12 4 5 17 5 10 4 3 5 3 2 3 7 9 3 14 8 60 6 10 7 26 5 14 10 20 100 24 8 8 6 4 21 10 3 4 6 5 35 93 17 2 2 4 3 1 3 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 2 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 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 4 8 5 5 2 5 6 4 5 7 9 8 4 8 12 24 9 17 67 86 16 14 5 10 4 5 5 3 2 2 3 2 1 3 3 2 1 2 3 2 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 ddd 1H J 18 40 96 | 76 75 d 1H J 18 | 74 73 m 2H | 70 70 ddd 1H J 11 81 101 | 69 69 dd 1H J 12 78 | 26 26 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1
ir: 1 1 1 1 1 2 1 1 5 1 3 1 0 1 2 2 1 1 1 2 1 1 2 2 2 1 2 0 2 0 0 1 1 0 1 0 0 1 1 1 1 1 1 4 1 0 1 1 1 1 1 1 1 1 2 1 2 2 1 0 0 0 1 1 1 1 3 2 1 2 1 1 0 0 1 1 0 1 1 0 1 4 2 1 2 3 11 0 1 1 0 1 1 5 5 1 2 8 4 4 7 3 1 1 1 1 1 1 3 2 2 1 1 1 0 1 0 1 2 1 1 1 0 1 1 0 0 1 1 2 1 0 1 0 0 1 2 2 3 1 0 0 0 0 0 3 2 3 1 1 0 0 1 1 4 9 1 1 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 3 1 0 1 3 5 1 1 0 1 0 0 0 0 0 0 0 6 5 0 3 3 1 0 0 1 0 0 2 2 100 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; 1HNMR: 88 88 d 1H J 20 | 80 79 m 2H | 78 77 dd 1H J 22 84 | 76 75 m 3H | 73 73 dd 1H J 17 73 | 63 63 s 2H | 62 61 d 1H J 100 | 38 37 m 2H | 35 35 m 1H | 33 32 t 1H J 54 | 12 12 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(N2CCC(NC(=O)OC(C)(C)C)CC2)nc1
ir: 5 6 9 8 4 7 3 2 4 5 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 4 6 38 18 11 2 2 2 5 8 28 6 6 1 1 2 2 2 1 2 1 0 1 3 1 0 4 20 12 10 4 3 2 1 1 4 2 2 2 5 2 2 1 3 3 3 1 1 2 4 1 2 1 3 3 2 2 2 6 2 1 3 1 2 2 1 3 2 1 1 3 2 2 4 3 2 1 3 3 3 2 3 6 3 8 4 3 9 5 9 12 6 9 6 5 2 5 14 5 6 4 5 5 5 3 5 5 2 2 2 2 1 3 5 18 15 4 11 16 100 6 8 3 27 12 8 8 4 2 1 1 2 2 1 2 7 34 6 3 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 3 2 2 4 2 2 8 11 3 2 10 6 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 6 66 20 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; 1HNMR: 87 87 d 1H J 19 | 80 80 dd 1H J 20 77 | 69 68 d 1H J 77 | 43 43 d 1H J 73 | 40 39 ddd 2H J 63 91 146 | 39 39 s 3H | 37 36 m 3H | 19 18 dddd 2H J 44 63 91 132 | 16 15 dddd 2H J 44 63 92 132 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
ir: 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 2 2 1 13 12 13 13 57 26 1 14 23 14 8 3 7 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 4 1 4 6 5 3 2 1 1 1 0 3 4 1 2 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 3 2 2 2 2 1 1 0 0 1 1 3 5 6 2 5 2 1 1 2 3 9 18 5 2 3 24 20 7 3 11 19 8 6 3 1 1 0 1 1 4 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 10 5 11 27 100 40 10 4 1 2 2 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 2H | 76 75 m 2H | 75 75 m 1H | 74 73 m 3H | 73 72 m 6H | 70 70 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)CCO
ir: 5 7 13 10 6 12 13 14 6 7 32 16 8 7 5 20 9 8 5 4 2 3 1 2 5 12 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 3 1 1 1 1 1 1 1 0 1 1 1 1 1 5 2 1 1 1 1 3 5 4 5 2 1 3 1 2 2 6 2 1 1 1 1 1 2 5 2 5 8 22 20 6 40 19 20 28 12 2 2 1 1 2 1 3 3 1 1 1 2 1 1 1 3 2 3 4 6 5 7 5 3 2 2 6 1 2 3 6 3 3 7 10 2 1 1 1 1 2 3 2 2 4 97 8 3 0 2 2 2 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 3 1 1 1 2 3 1 1 1 3 5 1 3 5 11 2 2 2 2 3 6 20 100 92 11 4 3 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 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; 1HNMR: 38 37 m 1H | 37 36 m 4H | 31 31 t 1H J 58 | 25 24 h 1H J 72 | 20 19 ddt 1H J 63 75 137 | 18 16 ddt 1H J 62 75 137 | 12 11 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(C(=O)O)n1cc(Br)c2[nH]nc(N)c2c1=O
ir: 2 2 2 5 8 3 2 4 10 13 2 5 6 5 13 13 4 8 7 11 27 59 18 6 12 9 27 3 3 5 3 3 1 2 3 1 1 2 1 1 1 3 1 1 1 1 1 2 2 4 5 18 56 23 36 13 5 1 1 2 2 0 4 9 1 1 4 4 1 1 1 2 1 1 2 2 1 5 7 9 8 1 2 2 0 3 3 1 1 1 3 8 1 1 1 6 1 1 2 3 10 14 4 1 3 22 1 3 4 7 3 3 1 1 2 1 2 1 3 1 2 2 1 2 1 5 4 3 9 19 3 1 1 1 2 1 1 1 2 1 3 7 6 3 30 7 5 12 0 3 4 7 26 8 9 47 14 55 7 3 2 1 18 5 1 0 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 3 4 3 1 2 4 5 2 1 1 1 3 5 4 1 1 1 2 19 47 2 1 1 1 1 1 2 23 3 2 0 0 1 1 2 10 8 12 3 55 100 3 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 98 98 s 1H | 78 78 d 1H J 18 | 66 65 s 2H | 50 50 ddq 1H J 15 31 84 | 25 24 dp 1H J 67 84 | 10 10 ddd 7H J 15 67 187
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NCc1cccnc1)c1ccc(Br)cc1
ir: 2 2 2 5 6 2 2 4 2 2 1 4 2 3 3 10 3 3 2 18 9 3 2 1 5 8 5 4 19 4 5 8 14 38 18 2 3 11 7 81 35 3 3 3 5 7 40 22 4 2 9 24 20 35 81 17 12 10 5 5 4 11 14 6 12 2 6 3 17 25 9 4 3 2 3 3 3 3 8 3 2 3 3 3 1 2 4 2 1 2 4 5 62 6 11 5 1 8 6 2 1 1 3 2 2 4 14 22 6 6 11 14 48 30 9 6 18 10 24 8 18 14 21 15 6 5 7 6 10 8 5 8 23 23 9 7 2 5 11 41 8 3 2 2 6 19 24 5 3 2 4 8 10 10 4 2 2 4 19 8 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 2 2 2 1 2 2 3 2 2 2 3 6 5 3 2 9 13 25 100 48 15 6 5 4 3 4 4 1 0 3 3 2 1 3 4 2 8 34 74 24 11 6 4 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 dq 1H J 11 22 | 85 84 ddd 1H J 13 20 42 | 78 77 dtt 1H J 9 19 79 | 75 74 m 2H | 73 72 m 3H | 44 43 ddt 1H J 53 61 69 | 42 41 ddt 1H J 9 67 152 | 40 40 ddt 1H J 9 68 153 | 28 27 q 1H J 69 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c1CC(C)(C)CC2=O
ir: 2 1 0 2 1 3 2 3 4 6 9 8 17 7 5 14 1 4 2 4 1 1 2 5 4 1 1 2 2 2 11 7 3 2 1 2 4 23 4 2 52 3 20 4 3 2 4 2 1 1 2 1 2 2 4 3 6 3 2 1 1 3 10 5 13 8 2 3 3 3 3 1 2 4 8 7 2 4 2 3 2 4 2 2 38 22 9 17 4 1 3 10 1 1 2 2 0 3 13 18 11 3 5 3 2 2 1 2 1 1 1 2 2 2 2 3 5 4 2 7 16 4 4 6 14 3 2 3 3 4 7 4 3 2 11 1 2 8 12 4 7 4 5 6 8 14 9 4 2 11 10 3 1 1 1 14 1 2 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 1 1 2 3 7 4 3 1 2 2 5 7 21 16 11 100 29 1 3 2 1 1 1 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 3H | 76 75 m 4H | 75 74 ddd 1H J 34 58 82 | 74 73 m 2H | 49 48 s 2H | 43 42 q 2H J 65 | 39 39 d 2H J 6 | 27 27 s 2H | 26 26 s 2H | 22 22 s 3H | 13 12 t 3H J 66 | 10 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(NC(=O)C/N=C/CC(C)(C)C)cc1OC
ir: 2 6 18 10 9 9 10 7 5 11 8 4 6 7 4 6 1 13 6 5 1 7 8 4 1 3 5 2 2 8 9 9 14 52 39 28 27 11 16 10 17 9 7 6 3 2 1 2 6 10 13 6 9 4 24 29 20 9 4 8 9 5 3 4 3 8 6 7 8 11 1 6 7 5 6 5 6 9 9 2 2 2 2 1 1 1 1 1 3 2 1 4 2 2 2 3 5 2 2 7 8 4 1 3 4 3 2 25 2 3 2 15 14 10 5 5 8 7 17 13 11 4 2 3 4 3 2 4 3 3 5 6 2 2 1 2 1 1 2 4 4 11 22 100 12 13 28 48 18 3 6 3 12 16 45 42 9 3 3 2 3 0 2 17 87 4 2 2 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 2 1 2 2 2 3 5 3 4 1 3 5 6 9 17 17 19 25 13 10 4 1 3 4 1 1 2 3 1 0 2 2 1 1 4 4 3 4 5 7 13 49 65 23 6 3 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 95 95 s 1H | 78 77 d 1H J 84 | 73 73 tt 1H J 13 64 | 72 71 m 2H | 42 41 d 2H J 13 | 39 39 d 7H J 46 | 20 20 d 2H J 66 | 9 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc2c3nc(-c4cccc(C#N)c4)nc(N4CCOCC4)c3ccc21
ir: 1 3 4 2 1 3 4 2 2 7 4 2 1 3 5 2 2 5 5 7 25 6 6 7 4 4 4 5 6 6 8 37 6 10 60 34 37 10 5 10 4 3 2 4 3 3 5 9 10 8 34 20 13 9 4 1 5 7 7 1 3 5 3 0 5 4 3 3 10 9 3 3 7 12 8 5 5 4 4 7 6 5 5 5 5 10 6 5 7 4 2 2 7 5 7 4 5 20 12 9 14 5 3 3 6 4 2 4 9 5 1 3 7 6 0 3 5 4 2 3 5 3 3 9 19 18 6 11 5 4 10 6 4 2 2 4 6 5 19 92 37 23 15 5 8 40 6 7 8 7 13 100 9 12 9 7 5 4 16 30 7 8 2 3 3 33 3 3 2 1 2 3 2 1 2 3 2 2 2 2 2 3 35 6 2 0 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 3 3 1 2 3 3 1 2 3 3 2 2 4 3 1 2 4 4 2 3 4 4 2 3 5 4 2 27 11 9 42 50 29 20 21 11 16 7 3 3 4 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 83 t 1H J 21 | 81 81 d 1H J 80 | 80 79 ddd 1H J 12 22 86 | 79 78 ddd 1H J 12 21 64 | 77 77 m 2H | 73 73 m 1H | 70 70 d 1H J 55 | 39 38 m 4H | 37 37 s 2H | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(Cc1ccc(Cl)cc1)c1ccc(-c2ccsc2)cc1)N1C(=O)c2ccccc2C1=O
ir: 3 2 3 1 2 2 2 1 1 2 2 3 7 4 15 6 3 7 6 13 11 1 1 2 2 2 0 2 1 1 1 1 1 1 1 2 6 0 3 14 14 8 78 13 6 10 19 8 1 3 2 1 8 13 12 31 53 6 3 2 4 2 1 2 3 10 2 1 5 6 5 10 12 7 3 2 3 3 1 0 2 0 1 2 4 3 5 2 2 6 16 5 3 3 36 2 5 2 12 4 5 3 2 2 2 7 2 7 6 3 4 4 12 5 0 2 2 4 1 3 7 4 4 9 5 3 5 6 11 3 5 4 5 6 8 9 25 7 3 4 8 7 8 8 4 3 55 19 3 2 18 9 5 5 4 0 0 1 1 0 2 4 1 1 1 2 3 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 3 3 2 4 1 4 3 4 5 6 8 11 13 45 32 15 46 100 61 19 13 10 2 2 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 76 76 dd 1H J 17 54 | 76 75 t 1H J 17 | 75 75 m 2H | 74 74 dd 1H J 17 53 | 73 72 m 2H | 72 72 ddt 4H J 9 81 133 | 49 48 dq 1H J 46 70 | 36 35 m 1H | 32 32 ddt 1H J 9 75 132 | 30 30 ddt 1H J 8 73 132 | 14 14 dd 3H J 15 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)CC1)C(F)(F)F
ir: 2 2 3 2 1 1 2 2 4 2 4 2 5 1 1 1 1 6 2 2 4 4 0 1 1 0 0 1 1 2 5 2 1 1 2 6 2 8 1 1 1 7 3 4 4 4 2 0 1 1 2 1 1 2 11 8 5 14 13 3 2 1 1 4 4 7 9 2 2 2 1 14 3 2 2 2 2 5 7 5 0 0 2 3 5 14 15 6 9 5 2 1 5 3 1 4 6 4 16 4 3 3 3 4 14 15 5 3 2 3 7 5 1 4 2 3 4 2 2 3 2 3 1 5 4 2 2 2 3 1 1 1 1 2 8 3 2 1 3 2 3 3 3 1 1 2 3 8 3 1 0 1 1 0 0 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 3 4 3 4 20 8 3 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 3 9 100 6 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 21 | 82 82 dd 1H J 22 95 | 79 78 m 3H | 76 75 m 3H | 59 58 d 1H J 95 | 38 38 ddd 2H J 55 82 128 | 35 34 ddd 2H J 56 83 128 | 34 33 dp 1H J 53 95 | 22 21 ddt 2H J 54 82 121 | 19 18 ddt 2H J 54 82 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)COc2ccc(C(=O)O)cc21
ir: 3 2 3 10 7 4 5 5 7 3 3 3 2 3 8 6 3 2 3 3 6 28 37 41 12 5 9 7 6 5 2 3 3 5 7 4 7 5 2 3 3 2 2 3 3 1 2 3 2 1 3 4 3 0 41 13 3 2 2 3 2 2 2 3 2 5 8 5 6 4 5 6 3 4 3 5 0 100 19 6 11 4 2 2 4 3 2 3 3 3 2 10 6 2 2 2 2 2 2 7 3 2 2 2 2 5 4 3 3 11 3 3 2 2 3 7 19 5 3 4 6 8 2 3 4 6 3 4 3 14 6 4 3 3 2 3 2 2 2 2 2 4 60 23 3 3 5 4 4 90 7 2 4 3 2 2 3 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 2 3 3 7 10 4 8 20 10 4 3 2 3 3 2 2 10 26 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 79 d 1H J 22 | 78 78 dd 1H J 22 88 | 70 69 d 1H J 88 | 48 47 s 2H | 36 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CNC2CC2)nc1
ir: 3 2 3 4 5 8 1 1 3 0 0 2 2 1 1 1 2 0 1 2 3 1 2 2 4 2 1 2 6 4 10 7 5 12 23 71 60 42 39 71 10 24 27 8 23 17 14 22 5 4 11 18 19 14 12 8 13 15 10 3 3 4 7 3 7 8 7 6 23 13 15 15 5 8 2 2 1 2 4 3 3 4 2 4 3 4 2 6 5 5 3 4 5 4 7 8 7 4 12 20 7 4 3 2 2 2 1 2 2 3 4 1 12 23 53 62 28 16 16 4 3 4 6 4 3 20 35 50 68 38 5 10 7 19 14 42 40 23 5 9 3 3 1 2 2 6 13 6 7 11 11 4 8 4 3 42 21 13 27 3 3 8 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 2 2 3 3 4 3 8 10 4 9 11 29 36 10 28 18 8 7 4 4 2 4 7 3 3 6 4 6 12 27 59 98 100 81 32 41 22 6 1 3 2 2 1 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0; 1HNMR: 85 85 dd 1H J 18 41 | 77 76 td 1H J 16 75 | 73 72 dq 1H J 11 77 | 72 72 ddd 1H J 14 41 73 | 41 41 dd 2H J 8 37 | 33 33 dt 1H J 37 73 | 26 25 dp 1H J 43 71 | 8 7 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN1C[C@@H]2COCCN2c2nc(-c3cccc4[nH]ccc34)ncc21
ir: 2 4 1 1 2 5 2 3 5 3 8 6 6 3 8 10 4 4 5 11 14 41 14 7 19 15 3 5 4 1 2 1 1 4 2 1 2 4 5 2 23 17 100 7 5 2 2 4 6 1 2 1 1 1 1 1 3 3 1 2 1 1 0 0 0 1 0 4 1 2 2 2 8 3 1 6 12 9 8 16 10 8 8 2 7 4 4 3 4 5 3 3 3 5 3 2 2 3 6 4 13 7 0 3 6 4 3 12 7 5 3 1 3 5 2 5 3 2 1 2 2 5 2 3 8 8 4 1 0 3 4 11 3 3 1 3 3 5 6 3 5 5 16 38 5 5 8 8 20 1 1 4 8 1 4 10 1 2 1 2 3 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 1 1 2 9 2 4 11 6 9 3 4 5 2 3 2 21 20 5 4 1 1 1 0 0 0 0 1 1 1 1 3 6 27 6 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; 1HNMR: 91 90 d 1H J 66 | 81 81 s 1H | 80 79 dd 1H J 14 93 | 75 74 dd 1H J 80 92 | 74 74 dd 1H J 14 80 | 73 72 dd 1H J 38 66 | 69 69 d 1H J 40 | 45 44 m 2H | 43 42 dd 1H J 37 110 | 40 40 dd 1H J 33 103 | 39 37 m 7H | 34 33 tt 1H J 35 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2nnn[nH]2)nc1
ir: 1 1 2 5 5 8 1 1 2 1 1 2 6 4 1 2 4 4 7 10 28 20 16 2 3 2 2 1 3 9 2 1 1 1 2 3 7 5 3 3 7 1 1 2 2 2 20 40 7 2 1 1 2 3 7 6 1 1 1 1 1 1 2 1 1 1 1 1 1 5 3 1 2 1 1 1 1 9 15 7 7 6 3 2 2 3 2 2 2 3 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 2 1 1 2 1 1 16 3 1 1 1 1 1 1 2 1 1 1 1 2 9 31 3 5 21 1 1 1 1 6 19 2 7 14 6 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 7 7 2 2 1 0 1 4 10 100 12 0 1 2 1 0 2 1 1 1 1 1 1 1 2 5 13 10 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 d 1H J 19 | 83 82 d 1H J 87 | 80 79 dd 1H J 18 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCCCCCCCCCSCCC(=O)OCC
ir: 4 5 4 4 3 5 3 3 2 2 3 3 3 3 2 3 3 3 2 2 3 3 5 9 9 12 3 3 3 2 2 3 3 2 3 4 6 6 10 12 7 6 7 4 4 3 3 3 3 3 3 3 4 3 3 4 4 4 4 3 3 2 6 4 4 4 3 3 3 3 3 4 6 7 7 7 3 3 3 3 2 2 2 2 2 2 2 3 2 3 3 3 4 4 5 5 4 5 7 4 3 6 4 8 9 26 57 22 6 22 9 13 7 11 13 9 7 11 20 30 27 10 5 6 5 5 3 3 4 4 5 9 6 5 4 3 2 3 4 3 4 5 13 0 100 9 1 6 4 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 3 4 6 8 7 5 10 22 26 8 7 6 4 5 10 7 46 55 15 7 4 4 2 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 42 41 q 2H J 66 | 28 27 t 2H J 69 | 26 25 t 2H J 69 | 25 25 t 2H J 63 | 16 15 p 2H J 64 | 14 13 m 2H | 13 12 m 38H | 9 9 m 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]1CCC[C@H]1CO
ir: 4 4 2 2 1 1 1 3 2 3 1 1 1 2 1 1 1 1 2 1 2 3 2 5 5 5 6 16 4 20 20 11 1 2 2 0 1 4 3 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 4 2 2 3 1 2 2 2 1 2 1 1 1 1 2 1 2 1 3 2 2 2 2 4 16 15 16 14 13 7 4 3 4 3 3 4 2 3 2 2 1 3 3 4 3 3 3 7 0 4 3 3 3 5 3 3 4 3 3 3 3 5 3 1 1 5 7 2 10 4 3 1 1 1 1 0 0 1 1 1 2 6 45 100 3 4 22 12 40 11 2 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 2 2 0 2 2 1 1 2 1 2 1 4 3 5 19 14 8 2 1 1 2 1 1 2 2 16 7 9 2 2 1 2 2 1 1 1 2 1 2 4 6 7 13 22 11 10 2 1 1 1 1 1 1 0 1 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 52 51 d 1H J 68 | 39 38 t 1H J 56 | 37 36 ddd 1H J 42 53 120 | 36 35 m 1H | 35 34 ddd 1H J 46 57 123 | 20 19 m 1H | 19 18 m 1H | 18 17 m 2H | 17 15 m 4H | 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)NC(C(=O)OCC(C)C)C1(C)CC(NC(C)=CC(=O)OCC(C)C)CC(C)(C)C1
ir: 29 31 20 18 8 12 6 11 6 5 8 7 7 5 6 6 7 6 5 16 19 8 12 9 4 4 2 2 2 3 1 7 4 2 2 2 3 2 0 1 1 1 2 2 3 5 3 2 1 3 3 3 1 1 1 1 3 3 3 5 10 1 3 3 2 2 2 12 10 13 11 6 21 18 11 25 8 2 5 4 6 4 1 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 2 2 6 1 6 12 5 4 3 9 17 12 7 12 6 7 6 9 13 15 18 13 34 18 14 5 6 3 4 4 3 4 5 4 4 2 6 2 3 2 6 6 7 18 54 33 10 10 93 40 10 1 1 1 1 0 1 1 1 3 14 15 35 2 2 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 3 3 2 2 1 4 2 4 4 3 10 3 10 9 23 22 24 4 2 0 2 2 5 6 1 2 1 1 1 1 1 1 1 2 3 6 2 3 7 12 26 100 50 32 32 5 3 1 3 2 2 1 1 1 0 0 1 1 1 1 1 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 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; 1HNMR: 65 65 d 1H J 64 | 63 62 d 1H J 81 | 50 50 q 1H J 15 | 50 49 dq 1H J 9 17 | 47 46 dt 1H J 14 29 | 41 41 dq 1H J 15 79 | 39 38 m 4H | 38 37 dp 1H J 45 64 | 22 21 d 3H J 13 | 19 17 m 8H | 17 16 dd 1H J 46 145 | 15 15 dd 1H J 44 134 | 14 14 d 1H J 141 | 10 10 m 6H | 9 9 m 9H | 8 8 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)c1oc2ccccc2c(=O)c1-c1cccc(F)c1
ir: 2 3 3 3 2 3 3 9 4 3 3 2 2 2 2 1 2 2 2 2 5 7 2 1 1 1 1 1 2 1 7 2 3 3 12 3 1 3 2 4 4 82 100 4 2 4 9 28 5 6 1 2 1 0 1 2 1 0 6 3 4 3 2 4 2 1 8 8 8 13 6 14 2 2 10 5 4 4 8 3 17 12 7 8 4 3 16 48 35 11 3 6 13 3 1 4 2 2 6 2 13 4 1 4 6 2 5 2 1 1 1 2 3 4 3 3 6 7 0 2 2 3 8 6 5 5 4 11 2 2 1 1 2 3 4 9 6 3 80 5 9 16 6 6 3 2 2 12 16 3 2 3 1 2 10 19 4 29 3 3 2 25 13 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 3 2 2 2 1 1 1 2 3 2 2 2 2 6 4 9 10 12 80 66 18 4 5 1 1 4 29 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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: 81 81 m 1H | 76 75 m 2H | 75 75 td 1H J 50 79 | 75 74 m 2H | 74 73 dt 1H J 21 121 | 71 71 dddd 1H J 12 21 79 101 | 44 44 d 1H J 56 | 44 43 m 1H | 14 14 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CON(Cc1ccccc1)Cc1ccccc1)C(C)C
ir: 2 2 3 6 2 4 5 3 3 6 8 4 6 7 2 2 4 6 5 4 2 3 6 8 3 3 6 7 2 6 13 7 2 4 3 0 2 6 6 61 100 0 3 7 4 6 4 3 3 3 4 1 2 1 2 4 6 7 3 4 1 1 2 1 4 2 3 15 21 17 2 2 2 6 3 4 5 10 8 2 2 5 4 7 12 4 6 4 10 52 27 10 11 13 16 10 12 17 14 6 5 3 2 2 1 2 2 2 1 2 1 2 1 1 1 2 2 3 2 5 7 3 2 1 1 4 3 4 6 10 7 12 16 21 20 50 4 4 5 1 2 2 23 21 6 5 7 2 2 1 1 9 7 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 2 2 0 4 7 5 8 18 21 46 41 29 22 5 6 3 3 5 2 3 3 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 5H | 73 73 s 5H | 44 44 s 2H | 41 41 d 4H J 7 | 31 30 hept 2H J 60 | 11 11 d 12H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)Cc1cccnc1
ir: 9 15 24 30 14 18 18 19 15 13 16 10 7 12 16 10 7 13 15 9 7 13 15 11 21 30 17 14 12 18 24 26 43 16 28 36 44 16 14 9 10 18 13 8 10 16 13 7 11 16 13 8 12 17 17 27 28 25 12 5 14 28 24 20 16 19 11 9 9 48 41 7 13 16 10 7 17 21 18 19 18 16 10 12 23 19 9 9 14 14 9 11 17 16 8 10 15 14 16 11 15 13 8 10 16 12 7 11 16 12 12 27 39 16 8 14 17 20 11 15 17 18 16 22 43 24 22 16 16 11 8 13 16 9 7 18 100 23 55 34 38 15 10 14 13 9 10 15 14 8 10 17 44 36 39 18 14 0 48 43 11 12 11 13 12 9 11 14 11 8 11 14 11 8 11 15 11 8 12 14 11 8 12 14 10 8 12 14 10 8 12 14 10 9 13 13 9 9 13 13 9 10 13 13 9 9 13 13 9 10 14 12 8 10 14 12 8 10 14 12 8 11 15 11 8 11 15 11 7 11 15 11 8 11 14 11 8 12 14 10 8 12 14 10 8 12 14 10 9 12 13 10 9 13 13 9 9 13 13 9 9 13 13 9 10 14 12 9 10 14 12 9 11 15 13 9 12 15 12 9 12 16 14 14 17 15 27 36 56 17 13 9 12 15 11 10 12 14 10 8 12 14 10 9 12 13 10 9 12 13 10 9 13 13 9 9 13 13 9 10 13 12 9 10 13 12 9 10 14 12 9 10 14 12 8 11 14 11 8 11 14 11 8 11 14 11 8 11 14 11 8 12 14 10 9 12 13 10 9 12 13 10 9 12 13 10 9 12 13 10 10 13 13 9 10 13 12 9 10 13 12 9 10 13 12 9 10 13 12 9 11 14 11 8 11 14 11 8 11 14; 1HNMR: 85 85 dq 1H J 10 20 | 85 84 ddd 1H J 13 21 42 | 77 76 dddd 1H J 8 18 28 77 | 73 72 dd 1H J 42 77 | 42 41 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nn(Cc2ccc(-c3ccc(F)cc3)cc2F)c(=O)c(C(=O)NCC(=O)O)c1O
ir: 4 4 4 4 5 5 5 5 7 11 10 7 5 10 7 8 5 10 13 21 29 46 22 19 12 5 3 4 5 5 5 10 5 6 6 8 9 12 5 7 16 10 7 7 8 8 16 51 20 15 7 8 10 14 27 12 18 19 60 100 15 8 6 6 4 2 4 6 12 6 10 5 6 5 5 11 10 9 40 58 10 10 5 6 5 6 5 7 5 5 5 7 9 4 5 4 4 5 5 5 5 5 6 6 17 30 16 11 6 8 8 5 5 6 9 12 13 6 6 6 4 8 9 7 9 20 44 9 8 6 4 4 5 4 5 6 9 3 3 6 5 9 35 38 15 12 35 10 6 21 9 7 10 9 32 9 4 2 3 7 4 90 5 0 6 5 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 4 3 4 4 4 4 3 6 4 3 4 5 4 4 4 7 8 15 23 29 55 59 39 16 6 7 7 4 4 9 5 4 3 3 4 3 3 3 4 5 6 7 11 6 21 15 11 5 3 5 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 93 93 s 1H | 90 89 t 1H J 71 | 75 74 m 4H | 72 71 m 3H | 54 54 m 2H | 39 39 d 2H J 71 | 33 32 hept 1H J 69 | 12 11 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(SCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)O)c1ccccc1
ir: 8 3 0 3 3 4 3 9 6 4 11 10 64 11 37 26 22 15 37 17 27 28 5 11 7 7 3 14 13 10 23 11 8 1 3 5 4 1 2 4 7 33 29 23 9 3 5 10 4 1 2 3 5 4 3 4 3 1 3 5 3 2 2 3 2 1 5 7 3 2 7 4 3 3 6 4 11 32 93 62 19 7 4 5 4 3 5 3 4 10 4 3 1 2 8 6 5 3 6 7 2 5 4 3 1 5 10 8 10 14 5 12 7 8 5 6 1 2 16 4 3 5 10 6 4 4 4 4 1 4 3 4 4 14 15 22 8 7 13 58 25 5 16 68 22 10 10 82 34 9 15 4 1 4 3 2 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 3 5 3 3 3 4 6 7 5 22 10 27 100 35 0 6 6 4 1 2 3 9 11 3 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 73 72 m 2H | 71 70 ddd 1H J 7 16 85 | 67 66 ddd 1H J 25 66 82 | 45 45 dd 1H J 52 80 | 34 33 m 2H | 31 30 dddd 1H J 9 58 84 150 | 30 29 dddd 1H J 8 58 84 149 | 28 27 q 2H J 63 | 23 22 ddt 1H J 55 82 130 | 21 20 dtd 1H J 58 82 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2cc([N+](=O)[O-])ccc2Oc2c(Br)cccc21
ir: 2 1 3 1 1 4 2 2 1 1 1 1 1 6 2 1 1 3 6 2 2 3 2 2 1 1 4 9 7 1 1 1 1 1 1 8 2 2 8 9 2 4 13 8 3 1 2 4 28 4 1 2 4 0 3 60 6 4 1 0 1 2 1 0 1 1 1 1 20 1 1 1 1 5 1 1 1 1 2 1 3 3 6 1 1 1 1 2 2 2 3 19 4 3 1 5 4 2 2 1 1 1 2 6 4 1 1 1 1 1 1 2 2 1 0 4 2 2 1 2 1 8 19 29 15 4 5 13 15 3 2 1 0 10 2 1 2 2 8 21 9 4 1 34 3 2 2 0 1 14 100 7 3 7 2 2 10 1 4 5 11 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 2 0 2 2 2 4 18 8 21 64 32 26 5 6 3 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 82 81 dt 1H J 9 20 | 81 80 dd 1H J 22 84 | 79 79 dd 1H J 15 81 | 77 77 dd 1H J 15 82 | 72 71 m 2H | 47 46 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(N)c(N)c(F)c1Nc1ccccc1C
ir: 6 3 1 7 2 7 3 3 5 4 6 5 24 30 34 17 14 7 2 2 3 4 3 5 3 7 4 4 5 4 2 4 5 4 5 6 7 3 2 2 2 3 8 10 8 5 3 4 2 2 2 2 3 1 1 1 2 2 2 2 2 1 1 2 1 2 4 10 3 1 2 2 3 1 3 3 6 3 1 1 1 0 2 2 2 2 2 3 4 0 2 1 0 2 2 2 1 3 2 1 1 2 4 1 1 1 1 3 0 1 2 1 1 6 3 3 2 3 3 5 6 1 1 1 1 1 7 6 1 1 1 1 1 1 3 6 1 12 4 2 2 4 1 1 1 8 7 15 4 3 4 5 7 25 18 5 38 20 14 3 2 14 4 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 1 2 3 4 2 3 20 4 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 12 33 21 3 2 4 15 6 12 5 2 10 100 40 23 1 1 2 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 91 90 d 1H J 40 | 72 72 m 1H | 72 70 m 4H | 49 48 d 2H J 46 | 44 44 s 2H | 38 38 s 3H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(F)cc1)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
ir: 5 3 1 3 5 3 1 4 8 16 4 7 8 12 1 3 4 2 1 4 5 4 1 4 5 3 1 3 3 1 2 4 7 2 1 4 3 2 3 9 21 22 17 5 4 2 3 4 3 0 3 6 6 12 23 25 15 10 6 5 4 2 4 4 5 10 3 4 4 4 9 10 5 2 4 4 2 3 6 30 9 5 7 16 26 10 38 25 7 3 4 4 1 2 3 5 2 6 9 6 4 6 7 7 31 7 5 3 3 5 5 4 1 2 4 2 1 4 5 4 1 4 7 5 7 5 5 6 2 3 4 2 1 3 4 2 1 3 3 2 2 5 4 2 3 9 12 7 12 19 24 100 30 15 8 3 3 4 3 1 4 11 8 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 2 3 4 3 1 2 5 4 1 3 7 7 8 21 34 13 18 4 5 3 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 8 6 11 26 15 14 3 3 3 3 3 3 2 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 m 2H | 76 75 s 1H | 74 74 m 2H | 72 71 m 2H | 70 69 m 2H | 64 64 d 1H J 79 | 37 36 m 1H | 34 33 ddd 2H J 68 95 136 | 33 32 ddd 2H J 69 96 136 | 21 20 dddd 2H J 44 70 95 121 | 18 17 dddd 2H J 42 68 95 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(CBr)c1
ir: 3 2 1 4 2 4 0 2 2 2 0 4 2 2 2 11 8 2 2 4 3 1 1 2 3 2 3 5 8 20 6 9 15 9 17 32 22 9 8 10 5 3 2 2 3 4 14 28 16 0 7 3 2 1 2 2 2 1 2 4 3 2 2 2 3 2 5 10 16 28 29 19 5 3 5 5 3 2 4 4 5 2 3 3 1 2 3 4 25 26 5 2 1 1 2 4 2 4 3 2 2 2 4 20 49 16 6 7 7 3 2 2 2 2 2 2 2 3 4 4 5 3 5 5 2 3 5 9 7 5 2 2 1 2 2 2 2 2 3 5 10 14 17 24 74 27 75 29 9 9 3 1 19 29 5 3 35 19 4 1 4 19 28 10 4 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 3 3 2 2 2 4 6 4 3 4 3 3 8 12 17 15 16 53 69 13 11 6 4 5 4 5 3 1 2 2 1 1 1 2 3 2 6 8 16 66 100 32 54 16 14 5 4 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 88 88 s 1H | 76 76 tt 1H J 9 21 | 75 75 ddd 1H J 12 22 80 | 73 73 dd 1H J 74 81 | 72 71 ddq 1H J 10 20 73 | 45 44 d 2H J 9 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1C2CCC(O2)C1Cc1cc(F)ccc1OCc1ccccc1
ir: 1 1 0 1 0 1 0 2 4 8 5 4 7 10 11 9 9 13 15 41 25 21 6 4 3 3 3 1 1 4 1 1 2 1 3 1 2 1 1 1 11 3 1 1 1 1 1 1 1 1 1 1 2 8 17 8 2 1 7 2 1 0 2 8 1 1 7 5 8 5 5 3 2 3 1 6 13 4 57 17 24 7 5 9 5 6 4 2 4 2 1 0 1 1 1 1 2 7 8 5 3 4 1 4 11 7 7 6 2 1 2 2 1 2 3 2 2 3 2 2 1 1 3 2 1 1 1 1 1 1 2 3 12 2 2 4 1 1 1 1 0 4 13 28 8 3 2 2 1 3 8 1 3 4 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 2 7 13 4 6 15 5 5 57 35 5 2 2 1 1 1 4 29 100 19 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; 1HNMR: 74 73 m 5H | 71 69 m 2H | 68 68 dd 1H J 46 90 | 51 50 m 2H | 46 46 dt 1H J 22 46 | 43 43 dt 1H J 19 46 | 29 29 ddd 1H J 7 62 148 | 28 27 dd 1H J 46 79 | 27 26 ddd 1H J 8 62 148 | 25 24 dtd 1H J 48 62 81 | 21 20 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(-c2ccc(Br)cc2)cc1
ir: 0 1 1 1 0 2 2 0 1 1 0 1 5 15 2 3 2 1 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 2 1 0 0 1 1 0 1 1 1 1 4 8 10 78 18 1 7 7 2 1 2 1 0 0 1 2 0 1 26 4 2 1 1 1 0 0 0 1 0 0 1 1 0 6 2 2 3 1 1 14 4 1 1 1 0 1 1 2 3 1 1 0 0 0 1 0 0 0 1 1 0 1 2 2 1 1 1 2 6 2 2 3 6 3 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 84 34 4 2 4 2 2 1 10 4 3 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 6 7 12 100 62 21 3 8 7 2 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 76 76 m 2H | 75 75 m 2H | 73 72 dt 2H J 9 81 | 27 26 qt 2H J 9 73 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1C[C@H](NS(=O)(=O)CCn2cc(C#N)cn2)C[C@@H]1c1nnc2cnc3[nH]ccc3n12
ir: 2 6 6 3 6 5 5 1 2 6 3 2 1 2 1 0 1 2 1 1 4 11 3 1 1 2 1 1 1 2 5 7 2 1 2 1 1 2 2 2 8 46 7 6 3 8 2 3 14 15 7 2 2 3 2 1 2 2 5 5 2 2 2 1 2 4 3 3 8 10 17 11 2 1 13 2 2 1 2 0 2 2 3 1 1 2 1 13 5 9 5 6 1 2 4 12 4 8 1 3 2 13 2 22 20 6 14 11 9 4 2 3 2 8 12 11 9 3 15 6 2 4 5 3 6 9 5 4 1 3 3 7 5 1 3 4 4 2 6 1 1 2 2 2 9 11 9 8 3 2 1 3 1 3 3 8 3 3 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 1 1 1 1 1 3 4 2 2 2 1 1 2 1 3 7 2 1 2 2 4 5 12 30 4 2 0 1 1 0 1 1 1 1 0 1 3 3 19 100 4 7 6 6 5 9 19 4 2 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 81 81 s 1H | 76 75 m 2H | 64 64 d 1H J 24 | 43 42 td 2H J 9 84 | 40 40 d 1H J 100 | 39 38 m 1H | 35 33 m 2H | 30 29 tdt 1H J 16 44 63 | 24 23 m 1H | 22 21 dddq 1H J 16 48 69 85 | 21 20 m 1H | 20 19 dddd 1H J 13 33 57 123 | 17 16 dt 1H J 70 123 | 16 15 dqd 1H J 54 70 125 | 13 12 m 1H | 9 8 td 3H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CC2CCOCC2)CC1
ir: 5 2 0 3 9 15 5 2 3 1 2 2 1 1 1 2 6 1 0 3 1 1 1 1 1 4 2 1 9 28 4 0 1 3 1 1 1 4 2 2 24 16 70 31 5 4 8 8 7 4 2 1 7 7 3 12 34 10 5 4 6 1 1 3 5 3 4 6 4 7 5 6 7 3 9 10 8 4 3 7 55 8 3 1 12 3 4 3 12 9 9 8 4 1 3 2 4 4 4 7 4 7 8 11 4 5 6 9 7 18 13 14 25 18 61 50 12 50 13 11 10 6 19 31 50 11 12 12 7 10 6 4 2 3 6 3 7 18 2 2 1 2 2 7 5 3 3 3 19 10 2 1 2 1 1 0 1 1 1 1 0 3 1 4 9 3 2 1 1 0 1 9 1 1 1 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 2 1 1 1 2 1 3 4 3 3 4 6 21 15 15 15 25 30 25 15 15 15 100 9 53 38 64 31 11 2 3 4 2 1 2 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 1H J 15 75 | 75 75 dd 1H J 16 76 | 75 74 dtd 2H J 14 73 203 | 42 41 d 2H J 64 | 37 36 m 6H | 35 34 ddd 2H J 27 53 110 | 28 28 m 4H | 25 24 m 4H | 22 20 hept 1H J 59 | 19 18 dtd 2H J 27 57 131 | 17 16 dtd 2H J 26 56 130 | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(C(=O)OC(C)(C)C)c1cccc(C(=O)N[C@@H](CCSC)C(=O)OC)c1
ir: 3 9 3 3 2 2 5 1 3 9 4 2 4 1 4 2 3 6 3 1 1 1 2 1 2 6 2 8 3 2 1 3 3 2 1 2 5 6 7 51 34 50 24 6 8 6 14 19 7 14 2 2 1 2 2 0 14 7 2 1 1 2 2 11 5 7 2 2 3 3 6 3 1 2 5 2 2 3 2 1 2 1 1 1 1 1 0 0 1 1 1 2 8 1 1 2 3 4 1 1 1 1 2 2 7 6 4 3 2 2 2 8 1 14 12 35 17 5 9 4 10 11 12 6 7 10 2 8 4 7 5 10 4 3 1 1 1 1 1 3 12 15 1 4 100 19 6 20 21 1 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 3 2 1 3 1 2 5 5 3 9 29 9 4 10 16 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 14 4 4 3 4 9 10 5 5 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 79 79 td 1H J 7 21 | 78 77 ddd 1H J 11 21 79 | 75 75 ddt 1H J 10 21 84 | 74 74 t 1H J 81 | 72 72 d 1H J 86 | 48 48 dtt 1H J 9 17 75 | 47 46 dq 1H J 53 68 | 43 43 dt 1H J 55 86 | 37 37 s 3H | 27 26 dt 1H J 62 143 | 26 25 dt 1H J 61 143 | 25 24 dd 3H J 16 52 | 23 22 dtd 1H J 54 61 132 | 21 20 s 3H | 20 19 dtd 1H J 55 62 134 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
ir: 3 6 7 9 5 2 3 2 2 3 4 5 2 3 2 2 3 2 4 1 1 3 3 1 1 1 2 1 0 2 2 2 3 3 4 4 1 4 2 2 3 5 3 1 1 2 4 11 2 4 2 0 18 100 31 15 4 6 3 2 1 2 1 1 1 2 3 5 3 19 5 3 4 4 3 2 3 5 8 3 3 2 1 2 4 4 11 26 11 11 7 3 2 1 1 2 2 5 6 5 2 6 11 11 7 5 3 1 2 1 0 4 6 2 0 3 4 4 2 2 5 2 4 3 4 3 2 10 2 1 1 2 1 1 1 1 2 1 1 2 4 9 2 5 13 17 53 10 12 12 3 7 11 4 2 5 3 34 4 1 1 5 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 2 4 11 6 4 6 10 6 6 9 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 9 5 4 5 10 7 6 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 90 t 1H J 57 | 80 79 dq 1H J 10 71 | 79 79 t 1H J 22 | 75 75 dd 1H J 71 106 | 74 73 m 4H | 71 70 m 2H | 69 68 dq 1H J 15 71 | 45 45 dt 2H J 8 57 | 34 34 s 2H | 29 29 s 2H | 24 24 t 3H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(N2CCC(O)CC2)c1
ir: 2 9 7 5 7 6 5 5 5 5 11 3 4 2 8 2 2 3 4 2 9 14 2 2 2 2 1 2 2 3 6 5 4 9 20 36 6 4 3 3 2 5 9 2 3 8 12 4 65 2 3 4 3 1 4 5 9 5 3 2 3 3 4 3 4 3 4 8 54 20 4 3 5 5 11 10 5 3 10 8 9 13 15 13 19 52 38 48 73 78 35 13 15 38 5 10 2 4 10 8 13 5 8 3 4 2 3 4 8 7 5 8 3 4 3 3 7 7 10 2 3 4 4 5 6 7 12 7 4 3 5 5 5 4 2 4 4 1 1 4 23 70 6 2 2 2 2 1 1 1 2 3 27 5 26 3 1 3 2 3 6 29 5 0 4 4 2 0 1 3 1 0 2 3 2 1 2 2 2 1 1 3 48 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 2 1 2 2 2 1 2 2 3 3 3 3 2 5 5 3 7 3 3 4 4 6 9 38 6 10 100 35 6 4 4 7 6 22 80 16 4 4 3 2 2 3 2 2 2 2 3 3 3 3 2 2 2 2 2 1 2 2 3 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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 75 ddd 1H J 13 22 68 | 73 73 t 1H J 65 | 72 71 t 1H J 22 | 69 68 ddd 1H J 11 21 64 | 39 38 h 1H J 49 | 36 35 ddd 2H J 63 90 126 | 34 33 ddd 2H J 62 90 125 | 30 30 d 1H J 49 | 21 20 dddd 2H J 49 62 90 128 | 19 18 dddd 2H J 48 62 90 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)CCl)=C1CC=CO1
ir: 13 13 11 12 18 11 15 12 12 10 9 13 9 10 8 11 10 9 8 9 9 9 9 9 9 9 11 9 11 33 74 13 9 9 8 10 10 11 14 17 11 10 8 9 11 13 12 11 15 14 11 9 9 8 9 9 8 8 9 9 8 8 8 9 9 10 11 11 12 15 10 9 9 9 13 19 9 8 8 8 8 8 24 13 8 8 9 9 8 8 8 9 11 13 12 15 14 10 8 8 8 8 10 9 13 10 12 11 11 11 23 10 8 11 16 11 10 11 9 9 11 9 9 14 14 13 23 13 10 9 8 8 8 8 8 8 9 11 16 26 15 14 18 11 9 8 8 12 11 0 100 33 33 53 13 17 7 11 9 6 7 10 8 6 8 9 8 6 8 9 8 6 8 9 8 7 8 9 8 7 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 9 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 8 8 8 8 8 8 9 8 8 8 9 8 8 9 12 13 9 10 10 9 9 10 15 18 15 20 29 16 10 8 9 9 9 9 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7; 1HNMR: 72 72 dt 1H J 9 70 | 59 58 dt 1H J 47 71 | 46 45 s 2H | 43 43 q 2H J 71 | 34 34 dd 2H J 9 46 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(C(C)C)c(NC(=O)C2c3ccccc3COc3ccc(Br)cc32)c(C(C)C)c1
ir: 2 3 2 1 4 5 5 5 4 8 2 2 1 1 8 3 2 2 4 9 6 79 17 10 3 3 3 3 2 2 3 2 4 10 5 14 17 33 19 6 11 2 4 5 17 6 7 19 10 4 2 2 8 22 24 2 2 6 5 1 2 6 3 6 4 10 16 8 16 2 4 2 1 1 4 4 2 1 3 1 2 2 4 17 3 2 4 3 3 4 13 2 3 2 1 5 2 1 1 3 7 16 4 4 6 9 2 4 5 3 5 6 11 2 10 4 5 9 5 3 9 9 13 11 6 4 2 4 13 11 4 4 3 7 8 8 11 23 1 4 3 6 35 13 22 28 36 10 36 23 47 24 22 31 19 5 3 2 1 2 9 4 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 0 1 1 1 2 2 3 2 2 5 4 5 9 25 21 29 78 100 42 9 6 2 2 2 2 2 2 1 2 1 1 1 1 2 2 1 2 4 53 45 51 22 9 4 1 3 1 1 2 1 2 1 1 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 76 76 dd 1H J 7 22 | 75 74 dd 1H J 22 88 | 74 73 dddd 2H J 8 17 88 106 | 73 72 m 2H | 71 71 s 2H | 70 69 d 1H J 89 | 56 56 d 1H J 9 | 52 51 m 2H | 31 30 heptd 2H J 9 66 | 25 25 s 2H | 13 13 dd 13H J 8 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1
ir: 0 4 3 4 7 8 4 6 4 5 15 11 9 4 4 1 1 1 1 1 0 1 2 3 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 3 2 2 1 0 1 1 1 1 6 12 11 18 45 10 4 1 1 1 2 4 3 3 3 2 1 1 1 0 1 1 1 2 3 3 1 3 3 2 3 2 2 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 3 2 2 3 3 7 7 13 10 12 14 7 2 1 4 1 12 24 13 6 9 23 19 11 2 5 8 6 24 14 4 4 5 6 4 6 7 14 3 2 1 1 1 2 1 0 1 1 1 7 39 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 2 1 2 1 1 1 2 2 1 2 4 2 6 14 4 2 1 1 1 0 0 1 1 1 0 1 1 1 1 1 3 3 4 5 11 77 100 20 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 36 36 dd 2H J 14 117 | 34 33 dd 2H J 42 117 | 32 32 m 2H | 21 20 t 1H J 76 | 15 14 s 8H | 11 11 d 7H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCOCC1)N1CCCNCC1
ir: 2 3 1 5 1 1 2 1 4 9 1 2 3 4 8 4 2 2 2 1 2 1 1 3 4 4 1 5 8 7 3 3 7 24 27 63 9 6 7 5 26 34 10 2 9 10 18 6 13 11 4 7 6 4 3 2 2 1 3 2 3 2 1 1 2 17 25 5 7 1 4 3 2 8 14 10 4 2 1 1 1 0 1 1 1 1 2 1 1 0 1 1 2 4 3 3 1 1 2 1 2 1 4 6 5 4 7 4 4 22 20 34 19 15 22 22 10 21 25 8 8 4 11 10 14 9 6 11 6 4 4 5 18 37 10 5 2 2 4 4 4 4 3 2 6 10 53 73 9 0 1 2 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 2 2 5 6 6 3 2 3 2 2 6 9 15 6 1 2 1 1 2 2 1 0 3 3 1 1 1 2 2 0 3 3 3 9 98 100 15 7 15 11 5 3 4 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 ddd 2H J 37 64 112 | 35 34 m 2H | 34 34 s 2H | 34 34 m 2H | 29 28 m 5H | 27 26 p 1H J 66 | 20 19 dtd 2H J 37 66 134 | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Cc2cc(Cl)cc(C#Cc3cccc(F)c3)c2OC1C(F)(F)F
ir: 7 10 8 5 5 4 3 3 4 8 9 6 3 2 2 16 4 13 4 4 3 4 14 3 4 3 7 5 7 8 3 2 4 3 6 4 4 4 2 4 3 0 1 100 12 71 7 0 3 6 14 22 9 9 3 2 2 3 3 5 3 2 3 5 9 14 35 67 24 9 29 6 5 8 17 20 8 3 6 8 4 5 6 3 2 3 9 3 3 5 20 11 4 3 3 3 2 2 10 15 54 5 28 8 5 6 40 16 9 3 4 4 3 6 10 11 48 19 3 4 8 4 7 28 11 13 12 8 7 18 4 4 2 3 3 3 4 21 4 10 24 9 3 2 3 2 2 27 12 85 3 46 6 3 19 4 6 5 2 2 16 3 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 5 4 3 4 3 6 7 10 12 13 51 71 86 16 13 7 5 3 3 6 4 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 d 1H J 18 | 76 75 d 1H J 22 | 75 75 d 1H J 22 | 74 74 td 1H J 49 66 | 74 73 ddd 1H J 13 22 65 | 72 72 dt 1H J 21 121 | 71 71 dddd 1H J 13 22 70 103 | 56 55 qd 1H J 18 115 | 43 42 q 2H J 71 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C#N)=C(Nc1cccnc1)SC
ir: 3 4 3 10 5 4 14 19 4 3 3 5 13 5 2 4 5 5 4 4 3 2 2 3 3 4 6 6 6 6 29 42 13 40 24 10 5 5 4 4 5 10 39 16 7 4 6 5 3 2 3 4 3 1 3 4 3 3 5 4 4 1 3 18 5 2 3 14 3 2 21 5 3 2 3 3 3 4 7 2 3 3 4 5 5 3 3 3 2 2 3 3 2 2 3 2 2 2 3 3 3 3 3 39 5 3 3 3 3 12 10 5 1 40 6 14 6 6 12 100 0 3 6 5 14 3 3 2 2 3 3 2 2 3 3 3 3 10 6 3 3 9 53 4 3 4 4 32 6 2 3 4 9 4 4 22 27 11 5 1 3 5 16 5 4 5 3 1 2 3 3 1 2 4 2 1 2 3 2 1 3 4 21 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 4 2 3 4 3 2 3 4 5 5 4 18 8 2 3 8 3 1 3 4 2 2 3 4 3 3 3 5 3 3 4 5 3 31 13 52 51 15 3 5 6 3 4 11 5 3 2 3 3 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 99 99 s 1H | 84 84 t 1H J 15 | 82 81 ddd 1H J 13 22 37 | 74 73 m 2H | 38 38 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)c3ccccc32)cc1
ir: 11 8 4 3 6 11 46 18 20 14 4 3 2 11 58 76 62 9 15 3 4 12 16 4 3 4 82 11 1 3 1 2 23 6 7 17 6 3 4 19 2 5 47 32 4 0 7 5 3 11 5 5 14 11 3 2 2 1 3 6 3 14 10 3 4 18 8 33 18 12 7 8 12 38 5 3 8 19 5 12 44 13 6 6 17 62 95 20 22 77 44 24 9 13 100 8 25 8 3 2 5 8 7 3 5 15 12 7 8 6 9 18 18 2 5 7 2 4 5 11 17 9 6 6 18 61 20 7 3 4 4 4 2 2 1 1 2 2 19 2 1 1 2 1 2 5 10 14 3 10 7 1 2 1 2 1 2 2 1 0 3 10 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 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 4 3 2 2 3 3 3 5 6 9 8 9 5 7 20 7 48 58 61 23 5 6 2 1 1 2 1 3 27 6 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 76 76 m 2H | 75 74 ddd 1H J 7 14 81 | 74 73 m 3H | 72 72 d 1H J 28 | 72 71 dd 1H J 29 51 | 71 70 dd 1H J 14 77 | 69 68 td 1H J 14 80 | 45 44 m 2H | 41 40 m 1H | 25 24 m 1H | 24 24 s 3H | 24 24 s 0H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1
ir: 9 4 4 7 5 2 2 2 4 2 2 5 5 3 2 2 1 1 1 1 2 3 4 1 0 1 1 2 2 3 11 4 17 3 5 1 4 5 14 15 42 8 3 2 3 3 1 1 1 0 1 1 1 0 6 12 3 2 1 1 1 1 2 1 3 15 6 6 11 8 2 1 1 0 1 1 1 2 3 5 5 1 1 1 1 1 1 4 18 8 2 2 0 1 1 2 1 5 5 1 1 0 1 1 0 1 1 1 1 6 3 6 3 1 1 1 0 1 5 8 4 3 1 3 2 4 12 1 3 1 1 0 1 4 5 22 8 3 1 3 1 3 22 28 7 13 24 17 2 8 1 3 3 1 2 1 1 0 1 1 1 2 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 2 0 0 0 0 0 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 1 3 1 1 1 1 1 2 1 3 4 7 15 100 72 24 5 3 1 1 2 2 1 1 1 1 1 0 1 1 0 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 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 22 | 77 76 dd 1H J 21 85 | 74 74 dq 2H J 10 73 | 74 73 m 8H | 72 71 d 1H J 85 | 53 53 d 2H J 9 | 51 50 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(OCCO)CC(C)(C)N1
ir: 18 4 10 4 8 8 4 5 15 14 6 3 5 2 1 1 2 2 1 3 4 3 0 3 3 1 1 2 3 1 3 5 19 23 26 19 7 3 1 3 2 9 3 2 2 2 1 3 2 1 3 2 2 3 2 4 1 0 1 2 1 0 2 5 10 4 4 5 6 2 3 2 1 0 2 3 2 1 2 3 1 5 10 10 5 27 88 76 7 10 6 3 11 4 3 4 3 1 2 2 2 3 3 2 1 3 4 3 2 2 2 1 2 2 2 3 1 4 6 7 4 8 9 8 8 15 15 8 13 6 9 7 9 9 16 28 23 22 9 10 3 3 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 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 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 3 2 3 3 3 3 3 2 1 2 2 2 14 16 4 6 4 2 3 2 2 3 2 4 100 57 8 3 3 2 4 5 16 34 12 29 25 15 54 8 2 1 2 2 2 1 2 1 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 41 40 p 1H J 46 | 37 37 dt 2H J 48 60 | 36 36 m 2H | 26 25 t 1H J 61 | 17 16 m 4H | 15 14 dd 2H J 46 137 | 13 12 s 5H | 12 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc(Nc2cccc(OC(F)(F)F)c2)n1
ir: 8 9 8 7 6 7 7 7 5 8 6 7 6 11 6 6 8 7 6 8 12 7 8 7 11 12 7 7 7 5 6 6 7 5 5 6 5 4 4 6 5 4 4 5 5 3 8 39 8 7 6 8 8 9 34 38 14 11 10 10 7 7 7 5 6 7 7 10 7 6 5 7 11 7 7 5 5 5 5 5 5 6 6 6 5 5 5 5 4 4 5 7 13 9 7 11 8 6 10 11 15 13 5 6 7 6 6 8 6 5 8 7 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 7 6 5 5 5 5 4 5 8 16 6 7 8 14 14 12 18 31 21 12 10 8 19 60 11 9 7 6 8 37 25 10 7 4 11 45 29 7 5 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 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 5 5 4 4 5 5 6 9 23 17 6 8 7 6 6 5 5 5 4 5 5 5 4 5 7 7 23 12 8 7 6 8 27 17 7 9 10 0 18 100 5 9 7 4 4 6 5 3 4 6 5 3 4 5 4 3 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 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; 1HNMR: 92 92 s 1H | 80 80 d 1H J 40 | 72 72 dd 1H J 70 78 | 71 70 dddd 2H J 13 22 79 159 | 67 67 t 1H J 22 | 66 65 d 1H J 40 | 60 60 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)COc1cc(OCC#CC)ncn1
ir: 1 1 1 1 2 2 15 3 3 3 1 1 1 1 1 2 4 2 1 4 1 1 1 1 1 1 1 1 1 2 2 2 2 6 15 27 15 14 10 10 4 6 3 1 1 1 2 3 2 1 1 1 1 1 1 1 9 8 3 2 1 0 3 7 19 57 24 9 15 11 5 44 23 19 9 5 6 15 8 3 2 1 1 1 2 2 1 0 5 40 5 4 0 1 2 6 1 1 2 1 0 1 1 1 1 2 3 8 12 2 2 1 1 1 5 2 2 5 5 4 2 5 3 6 2 2 2 2 1 2 2 4 3 3 3 3 1 1 2 0 0 6 51 6 3 1 2 2 1 1 1 1 5 1 1 1 2 4 100 5 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 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 2 4 1 1 1 4 4 1 2 2 1 12 3 9 7 18 7 17 38 6 1 3 5 18 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 15 | 61 61 d 1H J 15 | 51 51 tt 1H J 15 29 | 50 49 m 3H | 45 45 t 2H J 14 | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1c(C)cc(C)c(C)c1O
ir: 7 7 8 5 3 6 2 3 5 6 2 1 1 2 2 8 9 4 2 1 1 1 1 4 1 4 2 1 2 2 1 0 1 3 3 2 1 1 2 2 3 2 0 1 0 1 2 1 5 2 1 1 0 2 1 1 2 0 2 2 3 1 6 5 4 4 4 1 5 2 4 7 20 8 1 3 2 2 2 2 1 2 1 3 5 10 20 20 19 11 1 2 3 2 1 1 1 0 0 0 0 1 1 2 13 9 2 1 10 12 2 1 1 1 1 1 3 2 1 1 1 1 1 2 1 1 2 1 2 1 1 2 3 4 4 3 2 5 2 1 1 1 2 1 0 0 0 0 2 1 0 1 2 0 0 0 0 0 2 3 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 6 3 2 1 6 6 10 8 4 2 3 3 3 8 47 100 22 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 65 65 t 1H J 8 | 59 58 m 1H | 55 54 s 1H | 52 51 m 1H | 51 50 m 1H | 34 33 dt 2H J 15 80 | 22 22 d 6H J 77 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COCC(CNc2nc(-c3cc(F)ncc3Cl)ccc2F)O1
ir: 9 11 4 4 29 15 7 12 31 20 22 14 15 23 17 22 9 24 29 24 21 18 12 12 18 17 10 24 18 32 13 13 7 8 7 16 33 10 51 48 33 35 6 6 3 2 3 3 7 3 5 6 6 16 30 31 11 5 4 4 3 5 6 3 5 29 42 57 6 5 2 3 5 11 25 19 8 17 11 2 4 2 2 2 2 2 3 3 6 4 3 9 1 5 2 5 3 2 2 2 3 4 7 11 3 4 4 2 2 5 2 5 3 9 8 8 9 11 22 15 24 13 12 11 44 29 11 14 9 13 10 10 5 20 36 29 19 15 21 96 31 68 20 9 16 11 10 3 3 7 7 45 31 100 22 8 33 28 2 6 4 1 1 4 2 0 1 3 1 0 1 2 1 0 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 2 2 1 2 2 1 2 2 1 2 1 2 2 1 1 2 2 1 2 2 3 2 2 3 2 2 3 3 2 4 2 3 3 9 13 14 31 31 41 17 9 5 5 3 2 2 2 3 2 1 3 2 1 3 2 6 3 6 8 12 61 66 87 71 20 6 8 7 6 3 2 3 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; 1HNMR: 85 85 d 1H J 44 | 76 76 dd 1H J 48 84 | 75 74 d 1H J 121 | 74 73 dd 1H J 84 102 | 69 68 q 1H J 49 | 41 40 tt 1H J 27 42 | 39 39 dd 1H J 27 123 | 39 38 ddd 1H J 40 48 146 | 37 36 dd 1H J 27 123 | 36 35 m 3H | 14 13 s 3H | 13 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.