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C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)c(Cl)c23)c1
ir: 3 2 2 3 2 2 4 4 2 1 1 3 2 2 4 6 9 9 17 5 4 19 20 5 4 4 3 7 13 10 9 3 4 3 3 4 8 3 2 2 2 2 6 1 2 1 2 6 13 7 4 4 9 64 8 2 3 3 4 0 4 3 2 2 3 9 23 13 12 4 7 4 6 7 9 10 4 5 2 2 6 3 2 1 4 12 2 2 1 1 2 5 3 3 2 3 6 3 1 2 22 3 1 2 2 2 2 22 2 1 1 2 2 2 5 8 3 1 2 3 5 1 2 2 1 2 2 4 2 3 1 1 1 1 1 1 2 30 4 3 7 10 2 2 2 1 22 1 1 1 1 1 7 3 9 2 1 4 10 1 2 7 4 5 9 100 5 3 2 0 1 2 1 0 1 2 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 2 5 10 5 5 35 31 7 2 1 2 2 1 1 1 2 1 1 1 2 1 2 2 3 1 1 2 3 5 3 14 12 18 23 6 8 5 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; 1HNMR: 86 85 s 1H | 84 84 s 1H | 78 78 t 1H J 22 | 77 77 ddd 1H J 11 20 68 | 75 75 t 1H J 66 | 74 73 ddd 1H J 11 20 62 | 71 71 s 1H | 43 42 dt 4H J 49 164 | 40 40 s 1H | 38 37 t 2H J 49 | 37 37 t 2H J 49 | 34 34 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(CC(=O)O)c1
ir: 1 1 2 2 1 3 0 7 7 8 4 5 11 4 2 4 4 5 5 11 25 42 41 14 4 8 2 1 0 3 3 2 2 2 1 0 4 1 1 1 1 2 3 10 12 3 7 10 38 7 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 5 10 6 2 1 2 3 4 6 5 20 21 7 4 2 2 2 2 3 4 3 2 8 7 3 2 1 1 1 1 3 3 3 6 11 2 1 2 1 1 2 4 1 0 1 1 2 1 1 2 2 2 3 4 1 2 2 2 1 4 2 3 1 1 1 1 1 0 1 1 1 1 7 24 5 6 34 22 7 3 2 1 1 1 4 3 1 4 10 1 1 1 0 1 3 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 2 6 6 6 5 100 8 4 2 1 1 2 2 1 44 41 9 2 1 1 0 1 1 1 0 1 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 t 1H J 80 | 71 71 ddq 1H J 10 20 79 | 69 69 ddd 1H J 11 21 80 | 68 68 td 1H J 10 21 | 41 41 q 2H J 66 | 36 35 t 2H J 9 | 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.
CNC(=O)c1cccc(Nc2ncnc(NCCCO)n2)c1
ir: 10 12 11 12 21 12 10 11 13 22 20 15 9 11 10 11 11 9 11 11 15 20 12 14 11 17 15 12 15 12 12 12 11 11 11 10 10 14 32 13 18 18 11 9 9 9 9 9 10 9 9 10 9 9 9 10 11 10 13 38 51 86 12 12 12 13 14 14 16 10 9 19 10 9 9 9 9 9 9 9 9 9 9 10 12 10 9 10 17 10 11 11 12 9 10 10 17 19 17 13 16 11 10 9 11 10 19 13 9 9 9 12 11 10 9 10 9 9 9 10 9 9 10 10 13 13 11 10 15 12 9 9 10 9 9 10 10 14 36 12 11 18 13 8 13 15 18 10 32 27 15 20 15 0 9 100 20 24 27 5 8 11 9 7 12 12 9 7 8 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 9 8 9 9 9 9 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 11 11 11 23 12 15 13 11 9 9 9 9 9 9 9 10 9 9 9 10 10 10 9 10 12 17 23 26 50 30 13 10 9 10 9 9 9 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 9 9 8 8 8 9 8 8 8 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 8 8 8 9 8 8; 1HNMR: 86 86 s 1H | 83 83 s 1H | 79 78 t 1H J 21 | 76 76 ddd 1H J 13 22 81 | 75 74 t 1H J 79 | 72 72 ddd 1H J 11 21 79 | 65 65 q 1H J 51 | 58 58 t 1H J 49 | 38 38 t 1H J 56 | 36 36 td 2H J 49 74 | 35 35 q 2H J 55 | 30 29 d 3H J 51 | 19 18 tt 2H J 55 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccnc(Br)c1
ir: 10 4 0 6 9 4 0 6 10 7 0 6 9 3 0 7 12 21 21 7 7 4 3 7 7 3 2 7 7 2 3 8 14 16 6 8 6 2 3 8 6 1 3 8 8 3 5 8 5 1 4 8 5 1 5 8 5 2 6 10 23 4 7 11 11 24 34 18 6 6 9 17 11 13 14 12 7 4 14 12 6 5 10 10 5 5 8 14 10 6 9 7 3 5 12 8 2 4 8 6 2 4 8 6 2 13 13 5 1 4 8 5 0 4 9 5 1 5 9 5 1 6 9 5 2 6 8 4 2 6 9 5 12 27 14 6 2 7 7 3 2 7 7 2 2 8 8 5 24 7 7 3 14 25 6 3 4 9 6 2 6 80 100 3 6 8 6 2 4 8 4 1 5 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 6 7 3 2 6 7 3 2 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 4 8 4 1 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 8 5 3 5 8 7 4 11 31 13 5 6 8 5 2 5 7 4 2 5 7 4 2 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 7 5 2 4 7 5 2 4 7 5 2; 1HNMR: 83 83 d 1H J 40 | 68 68 d 1H J 21 | 67 67 dd 1H J 22 40 | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OC#N)cc1Br
ir: 0 2 3 17 12 1 2 1 0 1 2 1 2 5 51 12 60 1 0 6 2 7 8 6 14 24 24 17 8 2 2 2 2 4 3 1 2 0 2 3 4 18 11 5 2 1 0 1 1 1 3 22 60 15 74 45 6 3 1 4 1 2 3 9 7 7 38 27 70 12 18 11 6 1 2 1 1 0 1 2 1 2 4 3 1 1 1 11 13 22 10 8 15 46 4 2 0 1 1 1 1 1 2 1 2 1 2 11 41 8 1 2 2 1 3 2 4 2 2 2 1 1 2 3 3 7 5 3 4 4 2 1 1 1 1 1 2 2 1 2 19 16 0 0 0 1 1 2 9 17 40 21 20 14 1 1 1 1 1 3 14 20 15 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 6 12 42 50 13 6 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 6 6 1 0 1 2 3 4 4 4 2 5 3 15 14 30 64 59 100 10 3 4 3 2 4 2 1 2 2 2 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 72 d 1H J 22 | 71 71 dq 1H J 10 74 | 70 69 dd 1H J 21 74 | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1
ir: 5 5 2 16 6 22 10 16 4 6 4 7 5 4 2 3 2 1 3 4 3 4 3 3 4 2 2 2 2 4 2 4 4 1 2 2 3 1 2 2 2 1 2 3 8 3 1 3 2 2 2 3 3 6 8 14 6 8 5 3 3 0 2 3 6 3 11 2 4 7 5 3 5 12 7 7 3 9 4 5 4 4 15 7 5 3 22 40 57 35 63 18 13 7 16 5 2 3 3 4 2 2 1 1 1 2 2 4 4 2 2 1 1 1 3 1 1 1 1 1 2 1 2 2 1 1 1 2 1 2 1 1 1 1 1 0 0 1 0 0 0 1 1 1 1 1 2 5 12 6 2 1 3 2 2 3 2 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 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 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 3 3 3 4 5 8 7 25 12 13 3 2 3 10 10 100 78 6 4 3 1 0 3 6 3 2 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 71 dt 2H J 9 86 | 69 68 m 3H | 48 48 d 1H J 58 | 48 47 dt 1H J 23 80 | 47 47 t 1H J 44 | 47 47 d 2H J 26 | 46 45 d 1H J 61 | 44 44 d 1H J 57 | 40 40 tdd 1H J 18 57 82 | 40 39 t 2H J 9 | 39 38 dt 1H J 46 119 | 37 36 m 3H | 36 35 tdd 1H J 17 58 87 | 25 25 t 1H J 26
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C)N(C=O)c1ccc(Cl)cc1
ir: 7 3 2 6 4 3 6 10 8 3 2 5 6 1 0 2 2 1 0 3 4 6 1 3 2 1 1 2 3 2 1 2 3 1 1 3 2 0 1 2 2 0 1 4 6 1 3 7 4 0 3 4 9 23 22 10 6 3 2 7 3 0 2 2 2 10 2 3 2 2 3 3 4 10 9 6 10 6 6 4 1 0 2 3 0 4 9 4 2 2 2 3 2 2 7 3 3 3 6 3 1 1 2 2 0 1 3 3 3 3 7 10 14 8 7 5 7 4 7 4 2 2 3 4 0 3 3 3 1 3 8 2 1 3 3 1 0 2 3 1 0 10 8 20 100 2 9 17 9 3 2 5 6 2 2 1 2 4 16 30 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 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 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 2 1 1 1 2 2 1 1 4 6 4 3 4 12 3 8 31 20 4 8 5 2 0 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 86 86 d 1H J 18 | 74 73 m 2H | 73 72 m 2H | 49 48 qd 1H J 17 76 | 37 37 s 2H | 11 11 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc(Cl)nn2)c(F)c1
ir: 1 2 2 1 1 2 1 1 1 2 5 11 4 2 1 1 6 10 9 4 3 1 1 1 1 1 9 4 1 1 1 1 1 1 1 2 4 3 1 0 1 1 4 3 3 2 1 0 2 7 13 73 67 66 32 42 4 2 4 4 2 1 1 3 4 1 6 9 5 4 12 15 9 3 2 1 1 1 1 1 1 0 1 1 1 6 3 9 8 5 8 12 11 2 4 2 1 0 2 2 2 13 4 1 1 3 12 2 1 1 1 1 1 1 1 1 0 1 1 1 3 3 2 3 3 10 5 13 13 35 15 6 2 1 1 1 1 1 5 4 1 1 2 3 12 8 35 100 20 5 5 3 6 15 10 1 5 8 4 0 1 5 6 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 1 4 3 3 2 10 10 35 9 69 17 15 5 2 2 2 2 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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: 79 78 dd 1H J 20 81 | 78 77 dd 1H J 51 84 | 76 75 d 1H J 80 | 72 72 ddd 1H J 10 23 89 | 70 69 m 1H | 23 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN1C(=O)c2ccccc2C(C(=O)Nc2cccc(OC)c2)C1c1c(F)cccc1F
ir: 8 3 2 2 9 1 4 1 0 9 7 1 1 4 5 5 4 3 2 1 2 4 1 1 1 4 6 3 6 10 9 11 7 78 17 1 6 12 24 55 6 7 26 25 18 30 17 100 23 2 5 4 2 1 1 4 3 1 1 0 2 3 2 3 4 3 18 24 7 2 3 3 3 3 2 3 3 2 3 15 12 8 4 3 2 1 3 4 3 36 0 3 11 3 3 6 4 1 1 2 5 5 3 4 2 6 2 3 4 8 3 2 2 1 0 1 2 1 2 2 4 13 5 5 4 3 40 10 18 6 0 2 2 1 2 7 4 17 15 29 16 34 5 2 2 6 15 6 6 5 2 5 13 39 16 10 56 6 1 2 8 15 9 3 1 1 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 3 4 6 2 3 4 8 16 90 55 13 5 6 2 2 2 1 1 1 1 1 1 0 1 1 1 0 3 1 1 3 28 41 6 6 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 100 100 s 1H | 77 77 dd 1H J 18 81 | 75 75 ddd 1H J 6 18 78 | 75 73 m 4H | 73 72 m 2H | 71 70 m 3H | 57 56 dt 1H J 49 97 | 51 50 dd 1H J 7 97 | 40 40 dt 1H J 59 128 | 39 38 dt 1H J 60 128 | 38 38 s 2H | 37 35 m 2H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1cc(C(=O)NC(C)C)c(Cl)cc1F
ir: 10 8 11 3 2 3 2 2 1 1 1 2 1 1 1 1 1 2 6 1 1 1 2 2 5 16 5 1 2 3 4 15 6 5 18 12 25 7 6 7 8 7 29 10 3 2 3 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 3 1 1 1 7 2 5 6 3 3 4 8 6 3 2 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 5 1 1 1 1 1 7 9 1 1 1 1 4 3 1 1 1 2 1 0 2 5 3 2 2 8 6 3 1 1 2 4 2 2 3 2 3 1 1 0 3 8 6 1 4 28 3 2 1 1 3 5 8 53 11 51 5 24 9 7 10 2 2 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 18 1 4 100 6 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 3 6 58 39 9 7 7 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 31 | 84 83 d 1H J 46 | 75 75 d 1H J 121 | 73 73 d 1H J 79 | 42 42 q 2H J 63 | 41 40 dp 1H J 55 77 | 13 12 t 3H J 63 | 12 12 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCn2c(cc3ccccc32)C1
ir: 6 7 1 3 5 4 1 16 11 3 2 4 4 3 2 3 5 2 1 3 4 8 11 8 5 1 1 4 7 4 5 4 5 4 5 4 3 2 3 5 6 77 100 24 43 35 41 38 4 5 18 13 4 1 3 11 6 7 11 7 3 1 2 4 3 5 7 6 15 62 7 11 8 2 7 10 4 1 4 4 1 1 3 19 18 1 3 3 2 2 3 4 2 4 4 4 11 6 7 10 40 41 12 10 19 23 26 15 7 6 7 5 3 6 10 6 1 9 9 6 5 9 13 8 2 13 31 8 3 6 5 10 4 7 5 2 2 8 21 20 4 7 11 32 7 4 5 2 2 4 4 1 2 89 24 10 5 3 3 1 2 6 5 1 2 4 2 0 2 4 2 0 2 4 2 0 2 5 2 35 9 2 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 2 2 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 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 4 3 2 2 4 3 2 3 5 4 9 6 10 15 6 5 9 14 20 12 44 63 13 17 57 68 62 8 6 3 2 5 5 2 2 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 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 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 3 2 1; 1HNMR: 76 76 m 1H | 74 73 m 1H | 73 72 td 1H J 11 65 | 72 71 td 1H J 14 68 | 64 63 dd 1H J 10 22 | 41 40 ddd 1H J 24 51 141 | 39 39 ddd 1H J 25 51 141 | 31 30 m 2H | 28 27 m 1H | 21 20 dddd 1H J 24 41 49 116 | 18 18 dddd 1H J 24 41 51 118
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc2c(cc1Br)OCO2
ir: 3 2 0 4 4 3 2 2 3 1 0 2 2 2 1 3 5 1 0 2 2 1 1 3 8 1 1 2 2 1 3 5 3 14 3 3 2 2 1 3 2 2 2 3 2 0 1 3 2 0 1 3 2 0 1 3 2 2 7 7 2 1 3 5 9 6 22 100 22 4 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 8 10 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 1 5 5 6 6 4 5 3 2 2 4 2 1 2 2 1 1 2 2 1 1 5 3 24 9 2 2 1 1 2 2 0 0 5 12 1 1 3 7 33 2 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 2 2 3 2 1 2 3 2 1 2 4 12 9 31 26 26 13 2 4 12 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 70 70 s 1H | 69 69 s 1H | 59 59 s 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CC(F)(F)F)c(-c2ccc3c(C#N)nn(C4CCCCO4)c3c2)cc1F
ir: 1 4 2 2 3 5 4 6 5 4 8 7 8 11 1 5 5 3 2 3 2 4 4 2 2 3 2 2 4 4 4 4 2 4 4 2 3 3 4 5 6 4 3 3 2 1 1 1 3 4 2 2 3 7 26 16 4 0 2 2 2 1 2 2 1 1 3 12 22 14 8 8 4 3 2 2 3 3 9 16 2 2 3 4 12 3 2 1 6 5 8 5 3 2 2 10 3 2 3 2 4 18 5 4 38 6 3 3 1 6 5 3 7 4 4 10 11 6 3 6 10 4 6 4 1 4 4 10 6 27 7 6 3 3 2 2 7 3 2 2 9 2 1 1 1 4 2 2 1 3 2 13 13 11 3 3 2 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 9 3 4 2 4 3 7 32 15 6 11 100 36 6 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 d 1H J 73 | 81 80 d 1H J 22 | 77 76 dd 1H J 22 73 | 72 71 d 1H J 121 | 70 69 dt 1H J 9 44 | 59 59 t 1H J 24 | 39 38 m 1H | 39 39 s 3H | 38 37 ddd 1H J 32 49 104 | 35 34 qd 2H J 8 99 | 24 23 dddd 1H J 25 56 80 144 | 21 19 m 2H | 18 17 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc21
ir: 7 5 9 7 3 7 7 5 0 5 8 3 2 6 6 3 7 4 7 2 7 8 14 7 7 6 9 8 5 3 6 7 2 4 6 6 3 11 8 5 11 35 56 47 33 46 28 34 10 6 6 4 6 12 9 2 5 7 4 7 4 6 4 4 6 4 8 8 5 4 4 4 6 7 5 5 5 3 3 8 7 19 10 3 6 6 5 5 7 10 9 4 16 13 6 7 5 5 5 2 7 14 10 13 13 19 9 20 6 6 2 5 10 6 5 7 9 5 2 12 16 18 14 10 10 6 8 24 13 16 5 6 7 12 4 13 8 5 7 9 8 12 11 7 20 20 28 19 29 20 7 6 100 8 4 5 6 3 2 5 2 1 2 2 2 0 1 3 1 0 1 3 1 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 3 4 10 11 6 7 10 8 3 6 2 7 14 40 19 38 22 22 15 36 13 8 5 3 2 3 2 2 1 3 3 2 1 3 3 5 4 8 8 13 8 16 33 32 31 39 14 4 3 4 5 2 2 2 3 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 t 1H J 9 | 76 75 m 2H | 74 74 dd 1H J 13 75 | 73 72 dd 1H J 66 75 | 44 44 ddd 1H J 7 42 116 | 39 38 ddd 1H J 7 42 116 | 32 32 dd 2H J 40 60 | 30 29 m 1H | 29 28 m 1H | 26 25 ddd 1H J 30 50 117 | 24 24 d 3H J 16 | 21 16 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2nnn(-c3ccc(OC)cc3)c2nc1OS(=O)(=O)C(F)(F)F
ir: 13 5 7 4 4 3 9 8 27 54 15 3 2 2 4 2 3 2 1 1 1 2 3 5 6 1 1 1 1 2 2 1 1 1 2 1 2 6 12 4 39 3 8 8 3 3 7 3 2 3 4 5 11 6 42 20 6 3 2 0 1 2 3 4 1 2 2 4 6 9 100 6 8 2 2 1 3 9 3 0 1 2 1 0 5 100 11 4 2 14 2 1 0 0 2 4 3 7 13 4 2 1 1 3 1 1 2 1 0 1 2 1 8 3 5 7 4 1 2 2 2 1 1 2 2 1 2 10 10 13 2 4 1 1 1 1 11 1 1 1 10 1 1 1 1 19 2 1 2 12 14 8 22 12 5 2 1 1 1 1 0 0 1 25 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 0 1 1 1 1 1 2 5 5 6 14 80 29 6 3 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 78 77 m 2H | 71 70 m 2H | 43 43 q 2H J 64 | 38 38 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2c1ncn2Cc1nc2ccccc2n1-c1ccccc1
ir: 2 3 0 2 2 3 4 5 1 4 4 5 2 2 2 1 2 1 1 2 12 9 3 3 9 2 4 1 1 1 2 2 8 6 1 1 4 1 5 4 18 26 11 37 12 3 3 8 2 1 3 3 3 1 1 1 1 1 1 1 1 1 3 1 0 2 1 1 1 5 5 1 1 1 0 1 2 2 3 3 1 0 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 2 2 1 8 9 2 1 1 3 4 2 1 1 1 5 9 5 2 2 1 0 1 1 0 4 5 2 1 6 7 1 2 1 0 1 1 3 1 5 2 1 2 3 1 0 2 3 3 12 14 17 3 1 5 6 6 3 5 100 7 21 3 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 1 1 6 6 13 7 6 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 8 18 1 1 0 0 0 0 0 0 1 1 4 24 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 2H J 13 | 78 77 ddd 2H J 15 68 163 | 75 73 m 5H | 73 72 m 2H | 70 70 s 2H | 62 62 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1sc2ncnc(OC(Cc3cccc4occc34)C(=O)OCC)c2c1I
ir: 1 1 2 1 0 2 4 7 1 2 8 4 3 8 9 8 4 3 2 8 8 3 2 1 2 2 5 1 4 2 3 1 2 6 10 3 4 6 2 1 6 31 12 8 41 16 5 3 6 2 6 8 3 2 3 5 2 3 6 1 4 2 1 1 3 4 9 2 4 4 5 1 8 3 9 18 10 7 3 3 21 7 2 1 2 2 0 1 2 1 2 3 4 5 2 2 4 14 7 30 5 12 8 22 13 9 11 5 4 10 8 5 2 14 7 7 16 10 8 6 5 6 7 10 10 6 5 6 14 5 18 4 7 4 3 2 2 2 4 9 10 5 6 2 23 2 2 1 2 6 1 3 2 1 2 6 1 1 4 2 2 0 1 3 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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 4 3 2 3 4 6 7 8 7 10 12 11 6 17 7 12 39 47 10 100 30 13 16 12 8 3 2 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 85 85 s 1H | 76 76 d 1H J 18 | 74 74 m 1H | 72 72 dd 1H J 71 79 | 71 70 dq 1H J 10 78 | 68 68 d 1H J 18 | 50 49 t 1H J 76 | 43 41 m 2H | 36 35 ddd 1H J 8 76 156 | 34 33 ddd 1H J 8 76 156 | 21 20 s 2H | 11 10 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCSC#N
ir: 1 4 8 5 4 6 15 15 9 9 28 11 15 9 18 10 17 8 8 3 1 5 6 2 1 5 5 2 2 7 8 3 5 10 7 3 9 16 16 10 13 22 13 11 17 15 6 1 4 8 6 2 4 6 4 2 4 11 5 0 4 10 3 3 5 6 4 1 4 6 3 2 6 6 8 2 4 5 3 1 5 5 2 1 5 5 2 2 5 5 3 2 6 5 3 4 8 6 3 6 8 16 45 56 42 51 22 20 91 40 12 19 22 16 23 25 19 24 9 50 39 19 6 8 9 3 1 7 8 6 2 6 6 2 3 5 6 2 2 5 5 2 3 5 5 1 2 6 5 2 2 6 5 1 2 5 4 1 3 6 4 0 3 6 4 0 3 7 4 0 3 9 3 2 37 8 4 2 4 5 3 1 4 5 3 1 4 5 2 1 4 5 3 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 2 3 6 3 1 4 6 3 1 3 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 5 5 2 2 5 5 3 3 5 5 3 3 5 6 3 3 6 7 4 6 14 9 8 17 33 40 12 17 11 12 13 14 16 30 42 100 54 30 10 7 11 6 1 5 5 4 1 5 5 4 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 29 29 t 2H J 50 | 16 15 tt 2H J 49 64 | 14 13 m 2H | 13 13 m 1H | 13 12 m 8H | 13 12 s 3H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(F)c(F)c1OC(F)F
ir: 2 5 16 15 11 9 26 9 7 11 24 15 25 14 6 5 23 10 4 5 5 6 6 4 4 4 3 4 6 4 4 4 3 6 6 4 3 4 4 5 5 6 5 4 4 5 4 4 3 4 4 3 5 7 20 9 7 3 4 6 9 6 12 13 5 4 4 3 4 6 6 4 5 6 15 16 5 8 15 6 6 11 9 6 4 4 3 3 5 3 4 3 3 3 3 3 3 3 4 4 11 13 4 3 4 4 3 3 4 3 3 5 9 6 5 5 4 4 4 4 3 4 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 4 8 10 4 4 5 6 17 98 96 30 19 5 4 0 48 100 7 9 4 0 3 6 3 1 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 3 4 4 3 3 4 7 5 11 19 10 4 3 3 4 3 3 3 4 3 3 3 4 3 3 6 20 32 5 3 3 3 4 3 3 3 4 6 48 65 11 4 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 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; 1HNMR: 71 70 ddd 1H J 48 86 101 | 67 67 s 0H | 65 64 dd 1H J 47 87 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(F)c1cccc(Br)n1
ir: 1 1 2 1 0 13 2 1 1 2 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 1 1 1 2 3 1 1 2 2 1 1 2 1 1 1 1 1 1 5 1 4 100 1 9 1 1 1 2 1 0 1 2 2 1 1 2 1 3 5 2 2 1 2 2 1 1 1 2 1 0 51 1 2 2 1 4 3 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 4 3 1 2 1 1 1 2 1 1 1 2 5 2 1 2 1 2 2 2 2 1 2 3 8 5 4 3 3 2 3 2 1 1 2 4 23 5 2 1 2 2 4 2 1 1 1 1 1 1 2 2 18 8 9 6 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 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 1 2 2 1 1 2 2 1 2 5 3 6 11 9 2 64 21 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 76 75 dt 1H J 15 84 | 75 74 dd 1H J 74 84 | 74 73 dd 1H J 13 73 | 21 21 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(-c2c[nH]c3ncc(Br)cc23)cc(NC2CCCCC2)n1
ir: 3 8 13 21 3 4 3 3 7 2 7 8 24 2 4 30 13 14 10 21 5 5 4 5 7 6 12 8 12 7 3 2 2 25 8 4 6 13 46 98 22 14 7 4 3 3 3 2 2 3 2 5 3 3 3 8 3 3 2 2 2 4 4 5 21 27 18 33 9 14 4 3 2 2 4 3 2 3 2 4 4 3 2 2 5 17 2 3 2 9 13 15 8 2 4 6 6 4 0 79 16 2 4 3 3 29 3 2 3 3 4 7 5 12 6 43 8 6 9 16 3 4 3 5 10 5 3 4 8 3 4 2 2 3 10 2 1 4 4 3 10 42 40 19 28 10 5 4 3 6 10 29 99 13 81 40 7 3 4 5 13 0 2 73 31 3 2 3 2 1 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 5 3 4 3 3 2 5 4 5 9 6 11 12 19 17 33 11 6 3 5 3 3 2 3 4 2 2 3 7 11 3 4 5 6 7 21 50 79 49 100 4 5 5 2 3 4 3 2 3 3 2 2 2 3 3 2 2 2 2 1 2 2 2 2 2 3 2 1 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; 1HNMR: 96 96 d 1H J 68 | 83 83 d 1H J 17 | 83 83 d 1H J 17 | 79 79 d 1H J 69 | 72 72 d 1H J 20 | 72 71 d 1H J 22 | 62 62 d 1H J 73 | 39 38 dp 1H J 51 73 | 20 19 dddd 2H J 51 59 84 134 | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1nc2cc3c(nc2s1)CCC(C(C)(C)C)C3
ir: 1 3 5 3 1 3 4 30 35 4 7 7 4 19 5 2 2 19 4 4 5 3 4 5 6 7 5 5 5 4 3 2 5 5 4 4 14 18 14 3 4 12 25 34 40 76 75 20 12 13 10 1 3 4 6 0 4 4 3 2 4 6 5 4 5 5 17 10 19 9 44 27 4 4 3 2 5 5 6 3 3 3 2 1 3 3 2 3 4 3 2 7 5 4 4 15 19 4 18 3 4 3 1 2 4 3 5 8 7 11 7 5 7 8 1 7 4 8 8 7 10 10 23 14 33 9 4 4 10 6 11 9 17 20 46 9 14 5 5 6 6 2 2 8 13 53 28 10 48 28 100 8 3 1 2 3 3 1 2 4 4 1 2 4 2 1 2 4 4 1 2 4 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 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 2 3 3 2 2 3 3 2 2 4 6 4 3 6 7 3 7 7 4 5 5 7 7 24 22 10 9 17 15 11 4 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 4 18 52 31 10 5 4 4 4 4 3 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 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; 1HNMR: 78 77 t 1H J 9 | 31 29 m 4H | 28 27 ddd 1H J 9 86 157 | 22 22 s 3H | 20 19 m 1H | 18 16 m 3H | 9 9 d 9H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCc1cnc2cc(Br)cnc2c1
ir: 2 2 2 2 2 2 2 2 3 4 6 5 6 4 4 4 4 3 3 3 3 4 3 4 8 5 16 31 23 37 47 40 13 12 8 6 4 2 2 3 2 0 2 3 3 1 2 3 2 0 2 3 4 2 7 10 11 3 5 6 3 1 3 5 2 10 29 32 31 40 28 21 7 3 3 3 1 1 2 2 1 1 2 2 1 1 2 4 2 2 4 26 76 24 7 3 1 4 6 3 4 4 6 9 17 6 5 3 2 2 4 2 1 4 4 4 2 4 4 4 20 18 20 5 19 12 20 11 5 4 5 5 5 2 2 1 1 2 2 1 1 2 2 2 2 4 7 8 10 12 12 8 9 100 74 1 4 5 6 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 1 2 2 4 2 3 4 3 1 6 4 6 11 37 18 12 25 12 8 3 3 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 98 97 t 1H J 70 | 87 87 dt 1H J 8 16 | 86 86 d 1H J 16 | 85 85 d 1H J 17 | 83 83 dd 1H J 9 16 | 40 39 dt 2H J 9 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1c(-c2ccc(C#Cc3ccccn3)s2)nc2cnccn12)C(C)(C)C
ir: 6 6 5 15 5 3 6 4 5 20 3 10 7 17 18 11 39 75 18 8 9 8 6 11 8 7 8 10 8 12 15 9 26 9 4 5 7 28 37 21 19 12 9 8 12 10 7 9 14 4 3 7 6 19 48 31 7 5 16 5 2 5 3 3 8 3 3 3 7 41 16 11 6 0 4 5 5 3 4 7 13 17 26 4 2 1 3 3 7 4 6 3 1 2 4 10 14 10 8 3 4 5 8 50 41 13 6 5 3 31 15 53 9 6 6 10 24 19 8 8 2 7 10 3 2 3 5 6 18 45 17 18 9 44 64 25 30 25 11 5 4 26 11 6 8 20 8 12 24 6 3 1 9 7 6 17 40 6 4 9 25 3 2 1 2 2 2 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 5 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 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 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 3 4 2 1 2 3 2 0 4 5 4 3 11 13 50 25 46 100 44 27 26 7 13 7 4 3 3 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; 1HNMR: 89 88 d 1H J 13 | 87 87 d 1H J 70 | 86 86 dd 1H J 17 40 | 85 85 dd 1H J 14 69 | 77 77 td 1H J 16 64 | 75 74 dd 1H J 13 65 | 74 74 d 1H J 60 | 73 73 ddd 1H J 14 40 62 | 72 72 d 1H J 60 | 30 30 s 3H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(C)(C)c1cccc(OC)c1
ir: 10 17 5 11 26 10 7 11 5 7 4 11 13 3 4 4 5 4 2 5 7 7 4 4 8 2 1 3 6 8 12 24 11 6 5 2 3 0 1 2 2 5 4 5 6 11 40 80 16 12 8 9 5 4 3 7 7 3 9 15 3 4 6 23 13 19 25 22 28 22 6 10 6 11 17 12 6 6 6 5 9 8 9 12 10 1 4 3 2 5 4 3 4 3 5 2 5 3 3 8 5 17 28 25 5 10 4 5 5 3 4 3 3 15 14 11 3 11 11 18 23 19 13 14 9 7 11 10 13 14 17 22 35 20 16 11 15 10 2 6 11 18 23 19 40 24 14 6 3 3 3 0 9 31 9 9 41 12 4 2 2 7 27 31 5 4 3 1 1 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1 0 1 1 1 1 1 2 2 1 1 2 3 5 7 9 3 3 8 10 12 6 4 4 8 13 15 45 29 20 18 98 100 20 10 3 3 4 2 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 t 1H J 75 | 72 71 ddd 1H J 13 20 77 | 69 69 t 1H J 22 | 68 68 ddd 1H J 13 22 75 | 41 41 q 2H J 66 | 38 38 s 3H | 29 28 s 2H | 14 14 s 5H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccccc3C)cc2)CC1
ir: 2 1 1 1 0 2 5 2 0 1 1 1 1 2 4 2 2 2 3 3 5 2 4 3 6 6 4 3 3 4 3 5 2 4 6 5 3 2 1 5 9 14 10 3 4 2 3 2 1 0 2 4 2 6 2 4 14 7 8 2 1 0 1 1 1 1 1 1 1 9 1 2 2 1 2 1 1 0 1 1 0 0 1 1 1 1 3 1 1 3 6 3 1 1 1 1 0 0 2 2 1 2 3 3 12 3 4 3 5 3 2 2 1 1 1 2 1 2 5 4 1 2 2 1 2 2 6 3 1 1 1 1 2 3 5 5 13 5 3 1 11 2 5 14 6 30 0 100 3 3 7 2 6 8 3 2 1 2 14 1 1 0 0 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 1 2 1 1 2 1 1 3 2 2 7 7 8 13 77 10 7 2 3 2 2 1 1 0 0 1 1 1 0 1 1 0 1 1 1 2 6 13 18 8 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 77 77 dd 1H J 14 76 | 76 76 m 2H | 76 75 m 2H | 74 72 m 3H | 37 35 m 4H | 25 24 m 2H | 24 24 d 3H J 6 | 21 21 s 3H | 21 19 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.
CC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1cc(-c2ccc(Cl)cc2)no1
ir: 10 5 3 7 8 4 11 4 3 2 5 5 9 6 9 3 11 3 2 6 11 3 4 4 5 3 4 3 6 3 3 2 6 10 4 7 6 4 10 4 2 2 1 2 2 1 2 2 2 2 4 13 29 19 92 14 7 3 3 5 7 4 3 4 3 3 7 4 9 14 9 9 16 27 11 4 2 0 2 3 5 1 3 3 1 3 4 7 2 2 3 7 3 1 2 2 2 5 3 4 2 3 5 3 6 4 2 5 4 7 9 5 7 3 3 3 4 9 4 7 5 6 5 3 6 10 12 7 16 13 11 5 3 4 4 2 9 27 33 13 5 5 4 3 4 16 90 53 12 46 20 94 41 8 6 7 21 47 20 1 3 4 4 2 4 3 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 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 1 1 0 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 3 3 2 1 1 2 2 1 1 6 4 4 5 12 16 13 21 50 28 41 12 5 4 2 1 2 2 2 1 2 1 1 2 2 2 2 3 2 2 3 2 9 31 100 16 7 6 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 81 81 d 1H J 49 | 76 76 m 2H | 74 74 m 2H | 69 69 m 2H | 68 68 d 1H J 79 | 55 54 ddd 1H J 7 70 77 | 45 44 m 2H | 42 41 ddd 1H J 18 56 101 | 41 40 dqd 1H J 19 51 78 | 20 20 d 3H J 71 | 13 12 dd 3H J 15 51 | 12 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(SC(c2cnc(Br)cc2C)c2cc(F)ccc2F)ccc1Cl
ir: 0 0 1 1 2 3 7 1 1 1 1 1 1 1 1 1 9 9 1 1 1 1 0 0 1 2 2 0 1 0 0 1 1 1 1 14 3 2 1 0 0 0 1 0 1 1 0 0 0 0 1 1 4 9 41 3 3 2 6 1 1 1 1 6 5 3 1 2 6 6 12 9 1 1 1 0 0 1 1 1 1 2 3 3 2 3 5 1 2 2 1 8 2 1 1 6 5 5 6 1 1 1 8 1 5 17 2 1 1 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 2 1 0 1 1 2 1 0 7 2 0 1 1 0 0 5 3 3 5 2 1 1 4 7 5 17 2 1 3 3 0 0 1 1 3 15 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 2 2 5 5 7 6 100 12 5 1 3 1 1 1 3 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; 1HNMR: 84 84 d 1H J 7 | 73 72 m 5H | 72 71 m 2H | 57 56 dd 1H J 9 27 | 24 24 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCC(=O)c1cc(C(=O)OCC)c[nH]1
ir: 2 3 5 2 0 2 1 1 8 2 2 2 2 1 1 0 0 0 1 1 0 0 1 5 15 100 23 6 4 2 1 1 1 2 2 2 3 3 2 3 3 2 5 4 13 7 4 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 0 1 0 1 1 1 0 1 2 1 2 3 3 1 0 0 1 1 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 6 5 7 4 3 7 10 2 6 5 2 3 3 4 3 4 3 2 4 1 3 11 20 2 7 2 2 2 1 2 1 1 2 1 1 1 2 10 1 1 2 2 37 10 5 25 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 2 2 1 2 2 2 2 4 6 5 2 1 2 4 8 15 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 16 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 1H J 16 73 | 75 75 d 1H J 17 | 44 43 q 2H J 64 | 31 30 t 2H J 81 | 18 17 ddd 2H J 74 82 155 | 15 14 m 5H | 14 12 m 21H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)S(=O)(=O)C[C@H]1[C@H]2CC[C@H]2C(C)(C)CCC[C@]12C
ir: 2 5 2 7 6 1 5 4 9 20 3 3 2 1 1 0 1 1 1 0 1 1 2 1 1 2 4 2 3 1 3 1 0 1 1 1 2 1 7 0 0 0 0 1 0 1 1 1 3 3 3 0 2 1 1 1 1 1 1 1 1 1 1 1 2 3 4 20 8 2 3 15 9 3 2 1 1 1 1 1 1 1 0 2 100 19 7 4 1 0 2 1 0 2 1 2 2 7 6 3 5 5 4 5 2 2 2 1 3 1 2 1 2 3 2 2 1 1 1 1 1 1 1 1 2 2 2 1 2 1 2 1 1 1 1 1 2 2 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 3 2 1 1 2 1 1 3 2 10 7 4 15 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 d 1H J 20 | 69 68 d 1H J 22 | 38 38 s 2H | 35 35 dd 1H J 65 144 | 33 32 dd 1H J 93 143 | 28 28 ddd 1H J 27 55 88 | 21 20 m 2H | 18 15 m 4H | 15 13 m 3H | 13 12 m 1H | 12 11 m 1H | 10 9 dddd 1H J 15 28 49 91 | 9 9 s 2H | 9 8 dd 6H J 15 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(OC(F)F)ccc(-c2ccc3c(c2)CNC3=O)c1OCC1(C)COC1
ir: 3 2 6 12 4 8 16 4 3 4 4 4 3 6 9 7 3 3 4 3 3 12 8 5 5 4 12 13 7 30 4 2 3 3 3 9 3 7 7 18 10 5 3 4 4 2 3 3 3 2 3 3 3 4 12 10 5 2 4 4 9 8 7 16 8 11 21 7 5 3 6 12 4 10 8 20 8 19 6 12 5 3 3 5 4 4 4 4 4 6 3 3 2 3 3 3 3 3 3 5 4 4 3 3 2 3 2 2 3 2 2 3 2 3 3 4 4 7 8 6 4 4 7 6 3 14 5 7 6 4 4 4 3 3 3 3 3 3 5 24 5 4 6 3 2 3 6 2 2 3 5 5 2 6 4 0 100 0 17 6 3 2 2 8 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 4 3 2 2 4 4 3 8 10 11 27 30 4 4 3 3 2 3 3 3 2 2 2 2 2 2 3 2 2 3 3 3 4 17 17 13 6 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 79 d 1H J 85 | 78 78 dq 1H J 7 23 | 76 76 dd 1H J 22 84 | 73 73 t 1H J 40 | 72 72 d 1H J 90 | 69 69 d 1H J 90 | 67 66 s 0H | 44 44 dd 2H J 8 41 | 41 41 s 2H | 39 39 d 2H J 101 | 39 38 s 3H | 37 36 d 2H J 101 | 10 9 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(CCc1ccccc1)C(=O)O
ir: 1 1 1 1 0 1 1 1 1 4 3 3 2 2 6 3 0 3 7 5 29 14 100 23 4 2 2 5 3 1 2 4 1 1 1 1 1 0 2 2 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 2 1 1 0 1 1 2 5 1 1 1 1 2 3 4 10 16 31 8 7 2 2 2 2 2 4 1 6 1 1 1 2 1 2 1 2 3 1 1 1 1 1 1 1 1 1 2 2 6 2 1 1 1 1 2 2 1 2 2 2 1 2 5 3 3 1 1 1 1 1 1 1 2 3 1 1 1 1 3 2 8 26 10 3 7 2 1 1 1 2 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 0 0 0 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 2 4 2 6 14 4 3 1 1 1 1 1 2 30 91 4 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 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: 73 72 m 3H | 72 71 ddt 2H J 8 14 75 | 33 33 t 1H J 75 | 27 27 tt 2H J 9 86 | 21 20 td 2H J 74 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
ir: 3 5 5 6 10 10 44 15 7 6 7 2 5 8 10 4 15 9 9 3 4 6 8 2 9 5 9 10 2 3 4 3 8 5 2 6 7 4 24 32 25 8 5 6 25 12 19 11 6 12 7 21 4 5 1 6 3 4 4 1 7 4 2 1 6 5 7 2 5 5 2 3 2 4 9 5 3 5 3 2 2 2 1 6 2 3 2 13 8 31 44 18 6 6 4 3 3 4 11 16 21 23 9 7 8 3 1 2 3 2 1 3 4 3 1 1 3 1 1 2 3 2 1 1 3 2 1 4 23 16 5 9 18 7 1 2 2 1 1 5 1 2 2 3 6 4 2 10 56 36 12 10 3 43 6 8 4 1 3 74 9 1 1 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 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 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 2 1 2 3 2 6 5 5 2 10 4 2 1 9 46 100 63 7 7 17 7 2 2 2 2 2 0 4 1 3 22 37 3 2 1 2 1 1 2 3 2 4 33 7 1 4 2 1 1 3 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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; 1HNMR: 78 78 dd 1H J 17 74 | 69 69 s 2H | 61 61 d 1H J 73 | 60 60 m 1H | 48 47 t 1H J 45 | 43 42 m 1H | 42 42 m 2H | 40 40 dddd 1H J 10 24 44 75 | 38 37 dtd 2H J 22 41 114 | 37 36 dt 1H J 47 115 | 36 35 qt 3H J 46 72 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCOC1)c1cc(COCc2cc(F)c(F)c(F)c2)on1
ir: 1 16 4 4 3 4 8 3 4 1 1 2 1 4 7 8 8 4 3 6 3 4 2 9 3 12 28 52 100 16 11 5 3 3 4 7 11 2 4 1 2 2 2 5 47 32 8 6 8 4 4 5 2 5 3 1 3 5 3 3 3 6 3 5 13 21 39 18 17 4 8 9 21 14 21 22 5 2 2 4 2 14 1 2 1 1 0 6 9 1 3 1 1 2 1 4 13 2 1 5 7 3 4 14 8 4 5 4 6 2 2 3 2 3 4 2 4 5 2 9 7 11 14 6 13 20 8 6 32 5 14 11 25 8 3 6 4 1 1 2 2 3 4 6 7 16 10 88 9 7 4 24 7 4 1 4 1 2 2 1 29 1 1 0 1 1 1 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 1 1 0 1 1 1 0 1 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 7 5 3 1 3 2 4 5 3 9 14 3 14 16 28 18 2 2 4 3 1 1 1 1 1 0 1 2 2 0 1 2 5 4 10 8 32 21 17 5 5 2 2 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 1H J 65 | 70 69 ddt 2H J 8 33 123 | 69 69 t 1H J 8 | 49 48 d 2H J 10 | 45 45 t 2H J 8 | 38 37 m 2H | 36 36 ddd 1H J 24 42 108 | 35 34 m 1H | 34 34 ddd 1H J 42 64 128 | 32 31 ddd 1H J 43 65 128 | 25 24 m 1H | 21 21 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(N)c1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1
ir: 1 4 2 2 3 4 3 3 3 9 8 6 5 2 2 1 1 2 8 21 23 27 6 2 3 5 7 4 4 5 20 30 20 6 2 3 4 3 18 15 91 76 6 4 7 1 5 8 3 4 11 4 3 1 2 14 21 21 11 32 11 17 4 6 4 1 33 11 4 4 5 3 1 3 19 3 12 10 5 29 30 7 2 1 3 1 2 1 1 3 5 2 2 3 3 2 2 3 2 3 2 2 1 2 1 4 5 4 4 5 7 10 30 20 12 6 6 11 12 8 4 8 13 17 11 11 13 17 11 3 24 53 75 50 42 12 5 5 3 3 4 5 22 48 65 50 46 13 5 5 21 2 14 4 6 1 1 1 1 0 1 2 2 11 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 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 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 1 1 0 2 1 1 2 2 3 2 5 4 3 2 2 4 3 4 5 18 21 9 14 18 13 4 3 2 1 2 2 1 2 2 3 5 16 37 36 20 5 9 5 6 5 100 69 51 20 9 3 1 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 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 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 82 81 t 1H J 51 | 78 78 m 2H | 74 74 m 2H | 41 40 m 1H | 36 36 q 2H J 54 | 27 26 t 2H J 55 | 24 24 d 2H J 57 | 18 16 m 2H | 16 15 m 1H | 14 14 s 7H | 10 9 d 3H J 69 | 8 8 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CC2CON(C3CCCCO3)C2C1
ir: 3 8 12 17 62 49 20 37 27 15 21 16 9 6 5 4 6 7 22 8 5 10 3 4 3 3 4 3 2 2 4 5 3 3 2 3 2 2 2 3 3 3 7 4 4 3 2 4 18 9 4 4 4 4 3 4 3 58 9 5 9 13 12 2 2 4 5 14 7 9 14 10 10 5 9 17 46 11 6 5 4 11 100 6 5 4 3 7 6 5 4 6 7 9 5 5 4 5 18 11 6 12 13 11 9 34 12 8 7 24 29 60 31 13 21 12 13 10 10 8 9 22 23 8 15 11 7 12 5 8 5 6 17 41 12 7 4 2 2 4 3 1 2 4 4 1 2 7 11 7 49 62 1 9 4 0 1 5 3 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 1 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 2 2 2 3 3 2 2 2 3 2 3 2 2 2 2 3 2 2 3 3 2 2 3 3 3 4 6 5 6 4 13 12 8 5 9 9 10 6 11 22 72 17 7 4 3 2 3 3 3 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 45 45 t 1H J 51 | 41 40 q 2H J 65 | 40 39 dd 1H J 29 104 | 39 39 dd 1H J 23 100 | 38 37 m 2H | 37 36 m 4H | 35 35 dd 1H J 28 114 | 26 25 m 1H | 20 19 m 1H | 18 16 m 5H | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(OCCCCl)cc2ncnc(Nc3c(Cl)cc(I)c4c3OCO4)c12
ir: 1 1 1 1 1 1 2 3 1 5 9 7 2 4 3 2 2 3 4 2 2 2 1 2 1 2 11 3 8 6 8 4 2 4 2 1 1 2 3 1 2 4 3 2 1 1 1 3 3 4 2 3 4 15 2 0 1 1 1 2 1 1 1 1 1 2 14 9 9 5 6 4 3 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 10 4 2 1 1 1 1 2 16 1 2 12 2 1 3 2 2 1 3 2 1 2 2 1 1 2 5 4 4 2 2 2 4 1 2 1 1 2 2 1 1 5 9 2 2 1 1 0 1 1 1 20 3 4 1 0 0 1 2 1 2 1 1 1 3 12 15 4 3 12 50 7 1 3 8 100 13 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 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 1 1 1 2 1 1 1 1 1 1 2 2 7 6 5 2 22 10 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 7 3 2 2 9 34 18 15 4 2 1 1 2 3 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 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; 1HNMR: 86 85 s 1H | 84 84 s 1H | 77 76 s 1H | 70 70 d 1H J 20 | 64 63 d 1H J 22 | 59 58 s 2H | 47 46 hept 1H J 57 | 41 41 t 2H J 50 | 38 37 t 2H J 38 | 22 22 tt 2H J 37 49 | 14 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1(c2ccoc2)CC1
ir: 15 20 6 12 7 2 0 1 2 3 4 2 1 2 1 2 2 1 1 6 7 1 1 2 2 5 9 8 10 37 74 4 10 6 4 24 10 7 3 3 1 1 2 9 1 2 1 2 2 2 3 6 4 1 1 4 1 2 1 2 1 3 3 3 1 0 2 4 1 0 1 2 1 0 1 24 3 0 1 2 1 1 6 5 5 4 1 4 4 1 2 15 2 2 2 2 3 11 15 5 1 1 2 1 0 1 1 1 0 2 3 2 1 2 4 4 3 9 9 15 7 5 10 3 4 9 6 5 3 10 4 10 3 2 3 0 1 2 2 1 1 12 5 2 50 100 17 12 18 35 29 21 7 3 2 2 1 4 2 3 3 10 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 1 1 1 0 1 3 3 6 5 9 21 5 3 3 10 18 10 10 4 4 2 2 2 1 2 3 1 1 1 2 2 1 3 4 4 7 12 47 49 23 3 4 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 76 76 dd 1H J 8 17 | 73 73 t 1H J 16 | 68 67 s 1H | 65 65 t 1H J 12 | 18 18 m 2H | 16 15 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(S(=O)O)c(Cl)cc1Cl
ir: 1 2 1 1 1 1 5 3 1 1 1 2 1 3 2 2 1 1 3 4 3 19 100 5 2 4 3 1 1 1 1 0 1 1 1 1 2 1 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 3 3 4 5 3 0 0 1 1 1 3 45 4 4 2 1 3 1 1 1 1 1 4 2 2 1 2 3 2 0 0 1 0 0 0 1 0 0 0 1 1 0 0 8 0 1 0 0 1 0 0 1 3 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 6 2 1 7 6 1 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 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 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 2 5 1 1 1 1 1 1 0 28 7 26 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 77 77 s 1H | 67 67 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(N2CCN(CCCN3CCOCC3)CC2)ncn1
ir: 6 4 4 3 1 1 2 2 1 1 2 1 1 1 2 1 2 4 3 1 1 1 1 1 1 2 0 7 3 1 1 0 0 2 4 12 14 7 4 2 2 3 1 2 1 1 1 0 1 2 2 1 1 1 1 1 2 1 1 1 1 1 4 8 7 10 5 3 2 2 4 3 11 9 6 2 1 1 1 2 3 4 23 11 4 5 3 1 2 1 1 1 1 1 2 2 2 2 3 2 2 2 3 3 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 5 2 1 0 0 1 1 1 1 1 1 1 0 1 2 1 2 1 1 2 4 32 21 3 2 2 5 6 5 3 2 1 0 1 0 1 2 2 6 15 7 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 0 1 1 2 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 8 1 1 0 0 0 0 0 1 5 7 50 100 20 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 15 | 60 60 s 2H | 56 56 d 1H J 15 | 37 37 m 4H | 36 36 m 4H | 29 29 t 2H J 66 | 28 27 m 8H | 26 25 t 2H J 66 | 16 16 p 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1c(SC#N)ccc(N)c1C
ir: 32 31 21 17 17 6 12 11 8 5 9 9 9 5 4 7 9 6 4 5 8 4 4 6 5 3 3 7 5 3 4 7 8 4 4 5 6 3 3 8 6 5 4 5 4 3 4 6 5 2 5 7 9 47 36 13 5 0 4 9 5 3 5 8 4 5 6 14 4 1 4 9 6 3 8 6 11 12 7 10 4 4 7 9 3 3 10 6 2 2 6 5 2 3 6 5 6 6 6 8 8 4 6 5 2 4 6 5 2 12 8 5 1 4 6 4 2 4 7 4 1 4 6 3 1 5 6 3 3 5 7 4 2 4 5 3 2 5 5 3 2 5 5 3 3 5 6 5 6 6 5 2 20 11 26 91 29 8 9 9 42 85 15 1 5 8 4 2 3 6 4 1 4 6 5 1 4 6 4 2 4 5 3 2 4 5 3 2 5 5 3 2 4 5 3 2 4 5 3 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 3 3 6 5 4 4 6 5 3 4 9 6 3 11 18 18 4 4 6 5 2 5 6 4 3 4 5 3 3 6 5 4 18 69 7 3 3 5 5 3 3 5 7 9 15 100 38 12 5 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 74 73 d 1H J 71 | 66 66 d 1H J 71 | 45 44 s 2H | 42 41 s 2H | 35 34 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)C12CCN(CC1)C2
ir: 6 5 4 2 4 2 3 13 6 14 2 1 1 2 1 2 1 4 1 2 2 1 3 20 15 7 2 2 4 58 7 4 4 3 28 52 6 2 3 5 2 2 1 2 1 1 2 1 6 11 14 11 7 1 13 1 1 0 2 3 7 3 1 4 28 30 3 42 3 1 3 4 2 0 3 10 1 0 3 21 33 7 3 3 2 6 9 2 1 1 3 4 2 3 17 11 7 18 6 11 100 13 10 3 2 4 4 10 20 22 67 14 14 7 8 7 3 9 16 3 2 4 7 7 7 5 11 8 5 2 2 2 3 22 7 6 3 2 2 1 1 1 2 1 1 5 7 86 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 1 2 8 13 6 4 3 2 2 5 3 18 41 14 5 3 2 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 36 36 s 3H | 31 30 d 2H J 9 | 30 30 s 3H | 29 29 ddd 2H J 22 41 123 | 27 27 ddd 2H J 22 40 120 | 21 21 ddd 2H J 21 39 125 | 19 18 ddd 2H J 22 40 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(-c3ccc(N)cc3)cn2c1
ir: 18 8 33 5 3 5 15 9 2 5 3 2 2 2 2 1 0 3 2 1 4 1 1 1 2 2 1 0 2 2 2 1 1 5 11 1 1 2 1 0 1 1 1 2 1 2 2 0 1 2 1 1 4 6 21 27 8 8 42 2 2 4 3 14 7 2 4 2 2 26 2 10 1 1 0 1 7 17 6 2 3 1 1 0 1 1 1 3 22 18 2 2 8 0 1 2 2 1 0 1 12 6 1 6 1 2 19 2 1 0 1 1 1 1 1 0 1 3 3 2 1 1 2 2 1 3 1 2 3 2 1 1 1 0 1 1 7 0 0 0 4 0 0 1 1 1 3 4 20 3 4 4 6 32 70 28 5 7 27 4 1 2 5 1 19 16 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 1 1 1 4 1 1 1 14 3 5 13 94 37 26 48 4 3 7 4 2 2 2 1 0 1 1 1 0 3 24 8 2 2 1 0 0 1 1 1 2 5 100 77 4 3 2 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 dq 1H J 14 26 | 83 83 s 1H | 77 77 m 2H | 74 74 d 1H J 84 | 73 73 dp 1H J 9 86 | 68 67 m 2H | 45 45 s 2H | 22 22 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1ccnc2ccccc12
ir: 10 9 10 6 7 7 6 7 6 6 10 9 5 5 5 5 6 5 5 5 7 8 8 8 16 12 5 6 6 5 5 6 6 4 5 7 6 4 7 9 7 0 20 100 1 24 10 0 7 25 14 3 6 13 6 3 5 7 5 4 7 16 14 8 7 7 6 6 7 7 5 6 7 28 13 18 11 9 6 8 10 6 5 5 8 9 5 4 6 6 5 10 16 11 14 10 11 45 51 8 7 6 5 8 11 11 10 11 5 7 6 6 7 6 13 17 11 11 18 9 11 11 7 7 9 11 12 8 8 6 7 12 12 6 7 9 8 7 16 37 10 7 9 9 69 16 13 15 14 30 29 8 5 6 6 8 15 14 11 22 10 5 5 7 12 6 5 6 5 4 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 6 9 8 7 7 6 6 7 7 10 8 18 20 14 31 50 90 26 18 8 9 6 6 5 6 7 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 87 86 d 1H J 46 | 81 80 m 2H | 77 77 td 1H J 14 72 | 77 76 ddd 1H J 13 68 82 | 71 71 dt 1H J 10 46 | 37 36 s 2H | 33 32 td 2H J 9 84 | 27 27 t 2H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)OC)CCCC1
ir: 2 1 3 7 4 4 23 10 5 1 5 8 8 5 5 4 3 2 2 3 4 3 6 7 13 14 20 4 13 13 9 4 21 11 43 40 19 18 56 66 47 21 9 13 4 13 24 46 10 7 3 4 2 4 6 9 48 16 12 6 2 1 2 10 3 3 2 1 1 1 10 17 23 8 3 2 2 2 3 1 3 2 1 2 2 2 2 3 6 4 4 2 3 1 3 4 11 21 18 4 5 5 5 19 2 8 2 5 15 13 1 3 5 5 4 8 6 5 4 15 11 42 14 8 18 6 11 9 7 6 26 5 4 3 2 5 9 10 36 26 12 26 25 48 13 33 43 52 29 20 80 64 10 15 8 17 11 2 2 2 1 3 3 5 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 2 0 1 2 2 5 5 6 4 0 21 5 11 21 19 14 30 100 20 12 18 15 5 5 3 7 4 1 3 3 3 0 3 1 1 1 1 2 2 10 43 92 80 20 4 2 1 3 2 1 1 1 0 1 0 1 1 0 0 0 1 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; 1HNMR: 83 82 s 1H | 78 78 m 2H | 75 75 dd 1H J 68 93 | 75 74 dd 2H J 13 80 | 72 72 dt 2H J 9 81 | 71 70 d 1H J 88 | 58 57 m 1H | 51 50 ddt 1H J 13 24 160 | 50 49 m 1H | 45 44 dt 1H J 65 88 | 37 37 s 2H | 31 31 ddt 1H J 9 66 143 | 29 29 ddt 1H J 9 64 141 | 21 21 tdt 2H J 14 68 80 | 20 19 m 2H | 19 18 m 2H | 18 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CC)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
ir: 7 8 3 5 7 6 8 7 7 4 1 5 6 3 7 11 12 4 3 7 33 38 5 12 11 9 5 8 7 8 11 25 17 9 15 14 16 7 4 6 4 2 5 8 8 5 10 9 10 9 12 14 8 10 10 7 5 0 5 6 6 2 5 9 12 12 21 15 7 9 13 54 23 10 42 44 27 20 13 14 8 3 6 5 3 5 9 6 9 9 11 7 5 7 11 16 9 5 7 5 2 5 7 8 9 17 28 13 15 13 25 20 12 25 55 22 20 41 6 28 23 23 17 17 17 14 14 15 17 30 26 19 16 31 42 14 3 5 6 5 3 7 12 26 97 28 13 4 4 6 4 3 4 5 4 4 5 10 12 17 7 7 4 2 4 8 4 2 3 7 4 2 4 6 3 2 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 6 3 2 5 5 2 3 5 5 2 3 5 5 3 3 6 6 2 7 8 8 13 20 26 19 12 16 20 24 9 28 61 100 36 13 6 7 5 10 11 17 13 13 6 3 4 4 4 3 3 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2; 1HNMR: 49 48 p 1H J 18 | 47 47 ddd 1H J 13 20 31 | 25 23 m 2H | 23 22 m 3H | 22 21 m 1H | 19 15 m 9H | 9 9 t 3H J 71 | 7 7 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(OC[C@@H]2CCCN2)cc1
ir: 0 0 0 0 0 0 0 0 1 2 3 1 0 0 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 0 1 0 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 6 9 9 12 4 3 1 0 2 4 2 1 1 2 3 3 3 7 1 2 1 1 1 1 1 0 0 0 0 4 0 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 1 1 4 7 8 4 2 3 2 2 1 2 1 1 1 1 3 2 2 1 1 1 3 3 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 6 1 1 2 1 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 7 7 7 0 2 1 0 1 0 1 0 0 0 0 0 1 1 1 3 4 18 100 8 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 69 68 m 2H | 41 40 dd 1H J 38 120 | 39 38 dd 1H J 37 120 | 35 34 ddtdd 1H J 10 20 38 47 57 | 34 33 dt 1H J 24 57 | 30 29 m 1H | 29 28 m 1H | 20 19 m 1H | 19 18 m 1H | 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)CC1CCN(Cc2ccccc2)CC1=O
ir: 7 3 4 1 8 3 4 2 1 5 1 6 4 3 2 1 1 1 2 1 6 8 3 3 3 2 2 5 3 3 11 16 5 4 3 2 6 4 3 27 63 2 5 12 2 2 2 1 1 3 2 5 5 2 2 1 2 2 2 1 1 2 6 9 2 2 4 2 9 2 4 11 4 2 3 5 5 6 7 3 11 13 2 2 2 4 5 11 2 11 4 3 3 4 2 2 5 3 11 6 26 8 2 3 2 8 25 18 6 4 0 3 2 6 7 3 4 2 5 6 7 6 8 8 6 5 3 6 31 6 2 3 4 5 5 36 21 4 1 2 3 3 6 36 10 7 27 5 3 1 1 0 2 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 2 2 3 2 4 2 2 2 5 5 4 4 23 10 8 100 12 11 2 1 1 2 2 2 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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: 73 72 m 2H | 73 73 s 3H | 41 41 q 2H J 66 | 37 36 s 2H | 35 34 d 1H J 135 | 34 33 d 1H J 135 | 31 30 m 2H | 28 27 m 2H | 25 24 dd 1H J 75 165 | 20 19 ddt 1H J 58 83 128 | 18 17 ddt 1H J 57 82 128 | 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.
COC(=O)CCCCCCC(CCCC(COc1cccc(C(F)(F)F)c1)OC(C)=O)S(C)(=O)=O
ir: 6 12 5 5 3 7 4 6 9 5 5 3 2 7 5 3 12 6 4 2 6 5 4 2 4 3 1 2 2 3 4 12 6 4 2 1 5 5 9 7 5 4 2 5 5 2 13 12 4 8 12 11 3 2 3 0 3 8 3 3 4 4 3 6 10 19 9 15 31 16 15 2 6 10 4 4 3 5 3 3 3 6 3 2 1 2 1 37 3 3 2 2 6 5 12 11 8 18 21 29 13 5 8 11 4 29 8 10 5 13 15 8 9 17 39 24 7 10 18 15 20 27 25 9 19 27 6 7 7 22 3 4 2 3 4 3 4 4 2 7 9 16 13 19 100 15 6 1 1 2 1 0 8 0 1 3 9 3 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 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 2 4 6 5 5 8 8 5 6 16 8 6 4 3 18 17 53 22 22 43 22 7 7 4 1 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 73 m 2H | 71 71 t 1H J 21 | 69 69 m 1H | 49 49 tt 1H J 46 64 | 44 43 dd 1H J 46 125 | 41 41 dd 1H J 46 123 | 37 36 s 2H | 32 31 pq 1H J 15 92 | 30 30 d 3H J 15 | 23 22 t 2H J 85 | 21 20 s 2H | 19 18 m 3H | 17 12 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Br)nc1-c1ccccc1
ir: 1 1 1 1 1 4 6 3 7 4 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 2 2 4 6 4 8 5 8 22 13 30 14 3 10 79 47 6 4 1 1 1 1 1 13 18 57 58 2 2 1 0 0 2 1 0 2 1 1 1 2 16 26 6 2 2 0 1 1 2 3 4 4 2 1 0 5 3 1 0 2 5 12 16 15 2 1 1 1 1 1 1 0 1 1 0 1 1 1 2 11 6 1 1 1 1 0 1 1 1 1 4 6 3 3 4 5 9 1 2 1 3 8 5 9 5 9 100 49 25 5 5 4 3 1 6 19 62 59 6 4 2 36 42 7 6 2 0 1 1 6 10 1 2 2 0 0 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 7 12 10 27 42 46 42 24 5 12 5 3 1 1 2 1 1 1 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 77 m 2H | 75 74 m 2H | 74 74 m 1H | 73 73 dq 1H J 11 73 | 72 71 d 1H J 73 | 26 25 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2ccc(O)c(Cc3ccccc3)n2)CCC12OCCO2
ir: 11 14 30 9 8 8 17 18 9 4 3 2 3 6 3 4 5 2 6 4 6 4 2 3 2 3 4 2 6 10 13 56 50 22 5 13 8 34 19 16 12 30 22 7 4 1 4 3 2 1 4 3 9 17 69 16 13 1 2 3 2 2 6 3 4 5 18 7 5 4 2 2 1 1 2 10 39 3 10 4 19 24 35 10 9 14 4 6 7 23 5 13 10 9 13 38 30 12 8 3 4 8 9 12 26 4 4 3 5 10 4 5 16 12 4 3 8 5 4 3 2 9 9 12 4 4 2 0 2 2 1 1 1 2 6 16 2 4 3 21 37 6 29 32 45 7 16 8 6 100 10 14 79 19 4 2 2 3 4 56 11 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 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 1 0 1 1 0 1 1 1 0 1 2 2 1 1 1 1 3 3 5 6 7 4 2 1 2 5 7 29 5 24 41 65 18 6 5 8 12 37 83 24 8 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 81 s 1H | 72 71 m 5H | 71 70 d 1H J 91 | 70 69 d 1H J 91 | 41 41 d 1H J 16 | 41 41 s 2H | 41 40 m 2H | 40 39 m 2H | 38 38 m 2H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(C(=O)O)N2C(=O)C(NC(=S)CCC#N)[C@H]2SC1
ir: 3 2 1 1 2 1 2 6 7 5 3 2 3 2 1 1 1 2 5 4 22 100 32 6 5 15 12 8 12 6 6 15 10 12 7 4 3 2 1 1 2 20 4 2 6 1 1 1 1 0 1 1 1 1 1 3 3 0 2 2 2 1 7 7 2 1 1 1 1 1 1 2 2 2 1 4 12 11 12 3 2 2 1 1 1 2 5 6 11 4 2 2 2 2 3 2 0 1 4 4 1 1 1 1 0 1 1 1 2 6 17 2 3 3 11 2 1 6 3 3 0 2 2 4 1 1 2 2 2 13 11 16 32 17 3 3 2 1 1 1 1 1 1 1 1 2 5 38 5 5 9 11 2 1 1 9 1 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 9 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 7 2 1 29 1 2 1 1 0 1 1 1 0 1 1 3 2 2 1 0 1 1 1 2 1 1 3 2 9 15 30 17 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 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 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 d 1H J 64 | 55 54 dd 1H J 53 64 | 52 52 d 1H J 53 | 38 38 s 3H | 36 35 d 1H J 156 | 35 34 d 1H J 154 | 31 29 m 2H | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1
ir: 5 4 8 4 4 4 4 3 2 4 4 3 3 5 4 5 6 5 5 4 3 12 10 12 5 9 11 4 11 4 11 5 5 10 21 18 22 43 88 82 66 35 24 100 44 16 8 3 3 7 19 7 11 4 8 31 16 6 3 5 6 2 3 2 4 4 5 2 3 6 4 4 5 3 2 2 4 3 3 3 7 3 3 9 6 16 2 2 7 6 5 10 19 3 3 4 4 10 4 4 4 5 2 2 5 4 6 4 8 7 5 8 6 5 3 6 8 6 10 9 12 7 7 12 10 9 4 4 3 4 9 4 2 45 94 17 13 17 8 13 33 45 43 97 26 25 83 19 40 5 21 15 12 11 6 4 4 1 6 4 3 2 6 4 2 0 1 2 2 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 2 0 1 2 2 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 3 3 6 4 3 4 4 3 8 17 16 18 21 13 29 57 48 12 16 10 6 5 2 1 3 3 2 3 3 6 3 4 5 3 11 5 9 21 19 41 96 75 19 12 6 5 2 2 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2; 1HNMR: 79 79 d 1H J 84 | 77 76 m 2H | 61 60 q 1H J 49 | 44 44 dt 1H J 64 84 | 42 41 d 2H J 55 | 30 29 pd 1H J 7 63 | 28 27 d 3H J 49 | 18 17 ddd 1H J 63 80 143 | 17 15 dddd 1H J 65 79 130 145 | 15 14 m 2H | 9 8 m 8H | 7 7 m 2H | 6 5 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C#N)NC(=O)Cn1cc(Nc2nccc(NCc3c(F)cc(F)cc3F)n2)cn1
ir: 42 7 5 5 5 3 3 3 2 6 3 2 2 2 3 6 13 7 29 11 6 5 4 4 6 7 7 8 12 5 5 2 2 3 3 4 4 8 16 5 8 3 4 1 3 3 4 1 3 3 4 3 9 69 100 44 18 4 5 0 3 3 3 1 2 5 7 42 18 17 6 30 5 9 4 2 2 2 1 1 2 2 1 2 2 1 1 2 2 3 11 3 2 1 1 6 5 5 1 2 2 2 1 3 14 13 22 3 2 2 0 1 3 2 1 2 5 3 5 6 5 7 5 4 6 2 2 3 6 3 2 12 6 3 16 7 4 4 3 6 5 2 40 7 6 32 42 52 13 4 29 30 19 6 6 2 4 34 20 10 7 28 3 3 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 2 1 3 2 2 2 1 2 3 2 7 14 7 19 28 9 12 11 6 2 2 1 2 2 1 1 2 2 3 3 3 3 5 6 6 9 29 78 26 32 17 7 3 2 2 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H | 81 81 d 1H J 44 | 74 73 m 2H | 72 72 d 1H J 66 | 68 67 ddd 2H J 9 114 123 | 67 67 t 1H J 75 | 59 59 d 1H J 46 | 50 49 dt 2H J 47 75 | 47 46 m 2H | 46 45 dq 1H J 53 66 | 14 14 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cn1
ir: 3 3 2 6 7 5 7 3 3 2 0 4 3 3 1 1 2 2 2 3 3 3 2 2 2 1 2 2 1 1 1 1 2 2 6 18 4 10 3 3 3 2 2 3 4 2 2 5 3 1 7 18 8 8 7 4 3 3 2 3 1 1 6 2 3 2 2 2 6 6 3 4 1 3 1 2 6 3 5 5 2 2 8 4 6 15 4 9 9 8 2 3 2 2 2 6 4 5 5 19 10 7 7 1 0 1 1 1 1 1 1 1 2 2 3 3 1 1 2 1 0 2 7 3 1 1 1 1 1 2 1 1 1 1 2 2 3 17 2 1 1 1 1 3 3 6 19 26 7 5 23 10 11 4 4 4 1 2 3 29 8 4 2 0 2 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 4 6 8 5 4 3 3 2 5 23 48 8 2 1 1 2 2 3 2 6 9 44 1 2 3 1 1 2 2 1 1 6 51 100 11 1 0 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 d 1H J 19 | 78 77 dd 1H J 19 91 | 74 73 m 2H | 69 69 m 2H | 67 67 d 1H J 91 | 54 53 s 2H | 33 33 dd 4H J 45 62 | 32 32 dd 4H J 45 61 | 31 31 dq 1H J 33 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(CC)c(OC(=O)CCN(CC)CC)c2ccccc2c1OC
ir: 22 13 7 3 5 4 1 10 5 2 3 6 6 8 9 11 19 10 5 11 4 7 4 3 3 1 4 13 5 2 2 5 13 38 21 5 2 2 11 5 5 19 27 89 11 64 4 2 4 8 3 2 5 3 3 2 2 3 4 4 4 18 14 6 2 1 3 5 3 4 3 7 8 10 15 9 2 2 3 2 6 20 35 20 11 9 10 44 33 7 5 6 4 5 4 5 24 8 5 4 5 8 12 8 8 4 4 4 5 4 3 5 1 5 5 22 12 31 15 14 16 9 5 10 13 10 2 25 5 15 8 22 11 10 1 10 20 100 21 2 7 6 11 20 48 17 7 2 23 13 13 9 2 3 2 2 4 2 2 0 1 3 2 0 1 3 2 0 2 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 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 2 2 2 5 5 3 3 10 6 9 4 8 4 4 8 8 8 26 63 8 11 50 24 7 6 9 8 2 5 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 80 79 dd 1H J 15 74 | 79 79 m 1H | 74 73 m 2H | 39 39 s 2H | 30 29 dq 4H J 76 178 | 28 27 td 2H J 7 64 | 27 26 m 2H | 26 25 q 4H J 69 | 13 12 t 6H J 76 | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C2(O)CC3CN(C(=O)OCc4ccccc4)CC3C2)cc1
ir: 4 8 4 7 6 40 63 10 9 3 1 4 5 4 3 6 4 5 5 8 10 4 1 2 2 1 1 3 3 19 6 28 7 2 4 2 2 2 8 8 41 15 2 2 2 1 1 1 3 2 4 4 5 12 21 24 12 6 4 7 3 12 13 6 9 4 2 4 8 12 3 4 2 3 5 5 9 16 20 20 9 2 9 29 6 12 15 11 16 15 8 5 4 8 4 3 2 13 12 3 2 5 6 21 18 8 3 7 6 3 3 8 9 43 8 7 10 18 4 5 9 11 13 8 9 9 6 7 5 12 9 9 29 19 14 14 1 3 2 1 2 3 5 16 2 4 3 1 4 4 100 32 8 7 4 4 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 3 5 7 8 2 5 3 2 5 9 21 20 39 38 61 51 22 12 8 7 5 6 43 21 2 1 0 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 2 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 6H | 72 72 s 4H | 52 51 s 2H | 38 37 m 2H | 35 34 m 3H | 27 26 ddq 2H J 13 28 37 | 23 22 m 2H | 20 20 m 2H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(-c3ccsc3)ncnc21
ir: 2 2 2 5 1 2 0 1 1 1 3 2 4 3 3 2 2 2 1 3 1 2 2 1 2 6 12 9 6 4 7 5 5 8 12 11 8 7 3 21 14 13 4 15 4 3 3 1 8 3 2 2 1 1 4 1 1 0 1 2 3 5 3 4 6 9 9 12 9 11 6 3 2 2 3 5 6 5 21 8 16 6 2 6 3 6 10 48 15 12 15 12 3 8 18 9 3 4 1 4 9 11 24 12 18 6 2 1 4 1 2 3 6 2 2 1 1 1 5 4 5 4 2 2 0 2 1 1 1 2 9 10 14 2 1 1 1 1 1 2 2 3 3 8 13 16 6 4 2 3 0 1 0 2 6 3 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 2 4 1 3 4 4 2 2 2 4 8 11 21 100 53 39 40 22 16 4 2 3 2 3 2 46 12 4 2 1 2 1 1 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 84 84 d 1H J 7 | 78 78 t 1H J 17 | 76 76 dd 1H J 16 57 | 75 75 dd 1H J 16 59 | 60 60 dt 1H J 8 14 | 48 47 d 1H J 50 | 47 46 t 1H J 54 | 41 41 s 1H | 40 39 ddtd 1H J 9 18 44 51 | 39 39 dh 1H J 13 51 | 39 38 m 1H | 36 36 m 1H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(C#N)c3)n2)c1
ir: 6 5 4 4 11 4 5 9 4 21 15 6 7 4 5 6 5 3 3 4 6 5 5 9 16 10 10 6 4 4 13 9 14 19 19 11 15 7 4 5 6 3 4 7 7 7 4 71 47 4 4 10 21 0 7 13 4 5 4 6 4 3 11 7 7 10 13 31 19 6 5 7 5 2 5 5 6 5 44 11 4 3 6 6 5 5 29 31 40 16 13 5 9 5 4 8 5 4 6 17 6 7 18 32 24 26 16 6 4 3 5 11 5 4 5 6 2 6 10 7 9 14 5 6 8 34 12 14 4 4 5 5 26 7 8 12 4 4 6 53 42 25 7 34 14 5 5 3 5 11 4 6 16 7 13 9 4 5 4 4 7 15 5 12 4 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 4 4 4 3 3 4 3 3 3 4 3 3 3 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 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 7 7 5 3 4 4 5 3 3 5 4 3 12 22 16 26 18 100 59 59 17 16 7 5 5 8 6 4 4 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 3; 1HNMR: 80 80 t 1H J 21 | 80 79 m 3H | 79 79 d 1H J 33 | 77 77 m 3H | 76 75 m 2H | 75 75 d 1H J 33 | 67 66 d 1H J 81 | 32 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)(COS(C)(=O)=O)NCc1ccc2c(ccc3c4ccccc4ccc23)c1
ir: 7 4 7 6 28 28 6 11 16 6 5 4 13 4 12 10 5 5 7 7 4 3 5 3 6 1 1 1 2 1 3 3 3 1 4 3 2 4 6 3 6 11 13 18 100 29 5 4 8 8 5 16 78 33 10 1 4 5 9 3 3 2 2 8 4 13 3 38 4 73 6 3 7 7 16 3 7 4 1 3 2 4 4 5 7 17 49 19 46 23 8 14 2 5 1 11 15 10 22 13 16 23 5 3 2 2 10 3 1 1 1 1 0 2 5 5 2 12 13 3 9 11 33 9 2 4 2 3 2 3 8 11 1 13 13 10 5 8 1 2 2 1 1 5 22 5 4 2 1 2 4 3 1 1 1 0 1 1 1 0 1 1 1 6 2 1 1 1 1 4 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 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 0 1 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 4 16 12 7 16 16 16 2 9 9 5 7 11 20 3 2 1 2 1 1 1 2 4 5 19 35 10 3 6 3 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 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 87 dd 1H J 13 84 | 87 86 dd 2H J 88 200 | 81 81 d 1H J 96 | 81 80 dd 1H J 22 90 | 80 79 m 1H | 79 79 d 1H J 90 | 78 77 td 1H J 9 23 | 77 76 ddd 1H J 13 70 84 | 76 76 m 1H | 75 75 ddt 1H J 8 19 85 | 42 41 d 1H J 123 | 41 40 m 2H | 40 39 m 2H | 37 36 m 2H | 34 33 dd 1H J 59 114 | 31 31 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CSCCN1C(=O)OC(C)(C)C
ir: 2 3 9 20 4 3 2 2 6 11 12 8 5 2 2 3 4 1 4 15 10 4 3 0 0 1 6 9 1 4 3 1 0 0 0 0 0 1 1 0 0 3 2 1 5 4 3 2 1 3 2 0 0 1 1 0 2 1 0 6 1 0 1 4 3 1 1 1 1 1 1 1 1 4 4 1 1 1 0 1 1 0 0 0 0 0 0 0 1 1 0 2 2 2 2 1 2 3 2 4 6 2 12 5 4 5 4 6 14 7 2 5 9 8 20 12 11 13 12 13 9 7 3 4 6 2 2 5 12 9 6 9 5 3 7 12 8 3 3 1 0 3 7 14 30 12 7 2 2 1 5 100 2 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 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 2 3 1 2 4 8 7 5 4 3 5 5 7 13 25 8 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 45 44 tt 1H J 53 74 | 42 41 q 2H J 66 | 38 38 ddd 1H J 40 66 115 | 37 36 ddd 1H J 40 66 115 | 31 30 dd 1H J 54 127 | 30 29 ddd 1H J 40 67 126 | 29 28 m 3H | 26 25 dd 1H J 74 158 | 15 14 s 7H | 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.
COc1cc(F)c(N2CCC(=O)CC2)cc1F
ir: 4 3 5 8 22 14 7 9 12 20 13 9 7 7 5 4 8 4 5 6 5 7 3 6 4 3 5 7 5 12 11 6 4 3 4 4 8 7 4 5 4 4 3 4 4 5 3 6 5 4 5 7 9 10 7 11 4 2 6 11 7 3 5 10 18 0 16 58 43 50 18 3 8 5 4 4 4 3 3 3 3 3 3 4 4 6 6 5 11 10 8 5 10 10 12 19 13 10 6 8 7 6 13 7 7 11 8 4 7 11 4 5 8 9 11 5 7 6 4 9 14 11 9 20 16 10 6 11 11 6 5 3 4 5 4 3 3 4 4 3 4 9 5 16 43 31 16 12 9 10 6 13 100 13 4 4 4 3 3 3 3 3 4 3 3 3 3 2 3 3 3 2 3 3 3 3 3 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 4 3 3 3 5 5 7 17 11 6 6 8 7 6 3 9 31 28 16 6 66 18 10 6 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 68 68 dd 1H J 43 121 | 65 64 dd 1H J 43 121 | 39 39 s 3H | 37 36 m 4H | 28 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2c(Oc3cc(F)cc(F)c3)cc(C(=O)O)cc2O1
ir: 3 2 2 3 3 3 2 3 4 2 3 7 4 3 2 7 4 3 2 4 6 14 100 15 1 4 4 3 2 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 2 3 5 2 3 4 4 3 8 8 9 9 9 10 3 2 3 3 3 2 3 6 6 3 4 3 3 2 3 3 3 4 8 3 2 2 3 4 3 3 3 3 4 3 3 4 2 2 3 3 2 3 5 3 2 3 3 3 4 4 4 3 3 9 3 3 2 3 4 2 25 4 4 3 3 3 3 3 2 3 3 3 3 3 2 3 3 3 3 7 4 3 4 2 3 3 3 2 3 2 3 3 35 23 5 2 6 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 4 5 7 26 19 13 7 4 5 4 5 2 0 26 24 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 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 3 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 74 d 1H J 22 | 72 71 d 1H J 22 | 67 66 m 4H | 31 30 s 2H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(-c2ncc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)cc1
ir: 2 4 4 3 1 5 2 2 4 3 3 2 4 4 2 1 1 1 1 9 6 6 2 10 5 18 3 1 1 2 4 1 2 7 4 14 1 2 6 3 2 3 1 2 2 3 2 17 4 4 23 40 24 9 3 2 5 2 3 0 3 1 1 2 3 3 3 8 5 4 3 1 2 2 1 1 1 2 4 30 5 3 2 11 3 3 16 13 4 5 2 5 3 2 4 3 4 4 3 2 7 5 2 22 3 2 0 2 4 6 12 5 6 3 2 3 2 2 4 2 2 5 13 6 8 14 17 3 25 2 3 7 2 1 9 2 3 3 4 2 3 11 3 3 100 48 64 15 29 4 7 7 3 1 1 1 2 19 3 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 1 0 1 2 2 1 2 4 4 2 2 3 2 3 10 4 18 29 6 4 2 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 89 89 t 1H J 9 | 81 81 m 2H | 80 79 m 2H | 39 39 d 2H J 7 | 35 35 m 4H | 34 34 s 2H | 32 31 m 2H | 29 29 m 1H | 29 28 m 2H | 28 27 ddd 4H J 11 44 64 | 26 26 s 2H | 18 17 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OCc2cccc(Cl)c2)cc1C(=O)Cl
ir: 1 1 3 2 1 2 3 2 2 2 5 5 1 2 1 1 1 1 1 1 3 2 3 4 9 3 5 2 2 2 4 5 1 2 5 3 2 2 2 2 2 1 1 1 2 7 24 8 2 2 1 5 25 39 11 2 2 1 1 1 1 1 1 2 5 5 9 14 12 8 7 4 3 3 1 0 1 1 2 0 1 1 0 0 1 4 24 7 1 1 1 1 1 1 1 1 2 3 4 9 2 4 6 2 1 1 1 1 2 3 1 1 1 2 1 1 2 4 2 2 2 4 3 4 3 1 3 2 4 2 1 1 2 3 22 4 2 2 6 14 9 2 1 4 10 13 2 2 2 2 24 8 3 2 16 3 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 11 14 36 100 34 5 6 3 2 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 3H | 74 73 m 3H | 69 69 dd 1H J 27 88 | 51 51 d 2H J 9 | 25 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)n(C2CCNCC2)c2c3nc(-c4cnc5ccccc5c4)ccc3ncc21
ir: 2 10 8 7 4 5 6 3 2 4 7 4 3 5 7 3 1 5 6 13 23 7 6 5 12 13 13 10 3 6 11 3 4 9 7 10 5 6 6 1 6 36 44 9 6 13 9 68 39 9 14 72 65 84 33 22 34 26 17 8 8 10 5 9 6 6 2 2 10 11 8 13 6 6 5 3 11 8 5 2 5 6 2 6 10 6 2 4 7 14 19 6 8 9 24 13 23 9 3 3 5 3 1 7 7 5 1 5 23 28 47 60 31 13 17 18 23 19 14 13 20 5 1 18 21 9 32 33 23 34 9 8 9 7 8 16 10 35 51 12 71 2 2 8 10 21 100 58 16 1 20 8 62 73 34 31 75 8 5 5 7 2 2 7 3 1 4 10 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 4 3 0 2 4 2 0 2 5 2 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 4 1 2 4 3 1 2 5 4 1 3 5 6 2 4 8 5 4 6 7 6 9 38 26 28 48 43 28 15 9 6 6 3 2 3 3 3 1 3 5 4 7 4 6 15 47 6 4 2 2 3 3 1 2 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 94 94 s 1H | 93 93 d 1H J 16 | 86 86 t 1H J 19 | 84 83 d 1H J 79 | 82 81 d 1H J 79 | 80 80 dd 1H J 13 77 | 80 79 m 1H | 78 77 td 1H J 11 75 | 76 75 td 1H J 15 84 | 47 46 p 1H J 64 | 36 36 s 2H | 34 33 p 1H J 43 | 31 30 dddd 2H J 28 42 56 134 | 29 28 dddd 2H J 29 42 55 134 | 22 21 dddd 2H J 29 57 64 130 | 19 18 dddd 2H J 29 57 64 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCOc1ccc2nc(OCC)n(Cc3ccc(Cl)cc3Cl)c2c1
ir: 9 6 6 7 3 7 9 13 4 10 7 41 11 3 2 2 4 4 3 2 2 2 14 3 3 5 2 2 5 3 1 1 1 1 2 1 4 5 4 3 6 3 2 3 3 1 1 2 1 0 2 5 6 16 57 29 25 3 3 3 1 1 1 6 4 5 22 27 15 7 5 11 9 6 10 17 2 33 7 1 2 3 1 2 1 4 2 1 2 2 5 11 53 8 13 9 4 3 13 7 3 6 7 1 2 2 9 23 4 7 18 19 13 14 16 7 24 24 51 22 18 18 10 11 11 8 8 2 5 5 8 3 7 12 18 21 6 2 2 56 100 20 22 12 88 39 9 22 46 11 13 28 24 3 10 4 2 1 1 4 5 1 1 7 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 4 3 7 8 9 6 5 2 4 6 4 6 31 32 38 84 95 55 35 6 13 2 2 9 3 2 1 2 2 0 0 2 2 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0; 1HNMR: 76 75 d 1H J 78 | 73 73 dd 1H J 7 15 | 72 71 d 2H J 15 | 71 70 d 1H J 21 | 70 70 dd 1H J 22 79 | 55 55 d 2H J 6 | 43 42 q 2H J 62 | 42 41 q 2H J 66 | 41 40 t 2H J 63 | 25 24 t 2H J 88 | 21 20 tt 2H J 63 88 | 14 14 t 3H J 63 | 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.
O=S(=O)(Nc1ccc2c(c1-c1nnn[nH]1)CCCC2)c1ccccc1
ir: 19 6 4 5 6 5 3 5 7 14 9 25 9 5 3 12 8 7 6 5 9 4 4 5 8 8 25 11 7 10 16 9 18 20 7 9 11 17 9 17 33 43 13 17 14 52 58 3 28 27 8 13 6 4 20 11 12 19 43 15 5 8 10 19 29 0 4 7 5 7 6 7 3 3 8 10 7 5 32 8 2 1 7 11 61 15 65 3 7 7 6 5 26 6 11 5 9 13 27 6 5 7 12 24 14 12 11 4 8 12 22 12 8 7 7 12 13 26 33 35 23 27 12 13 28 9 9 7 6 6 6 5 21 3 47 9 4 5 8 4 4 28 30 33 31 10 10 13 11 26 12 14 3 6 5 3 11 34 6 4 6 22 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 5 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 5 4 3 4 5 4 4 4 5 4 4 6 6 5 4 5 8 5 2 9 19 24 5 11 86 88 24 4 5 5 7 5 5 6 4 5 4 5 4 4 5 4 4 6 5 5 5 8 25 21 100 65 42 24 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 80 79 tt 1H J 13 73 | 77 77 m 2H | 75 74 m 2H | 71 71 d 1H J 79 | 69 68 dt 1H J 9 79 | 31 30 m 2H | 28 27 m 2H | 18 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(OCC=O)c4)CC3)C2)cs1
ir: 6 6 4 18 4 5 3 21 3 6 13 19 10 20 11 9 12 11 6 5 8 6 6 9 10 12 13 15 1 7 6 7 5 4 5 4 6 9 10 8 21 20 5 5 14 7 10 53 39 6 25 15 6 3 5 5 14 16 10 4 19 10 12 7 6 13 11 16 31 27 25 18 5 26 7 13 8 7 10 18 29 23 7 2 11 14 14 25 28 32 21 46 18 11 8 3 12 23 61 25 16 7 16 22 24 6 5 20 4 3 4 5 9 7 15 9 8 9 5 11 6 11 14 10 13 19 29 12 13 14 3 6 3 6 15 12 17 3 5 5 24 12 4 5 15 100 53 10 5 18 30 12 9 4 9 28 4 1 1 2 5 14 1 2 1 5 16 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 0 1 1 1 1 1 3 3 5 6 3 10 8 6 9 7 4 5 10 5 28 30 24 27 48 41 21 12 14 6 4 2 5 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 t 1H J 42 | 79 78 s 1H | 73 72 t 1H J 81 | 71 71 ddq 1H J 10 20 82 | 69 68 ddd 1H J 12 21 80 | 68 68 tt 1H J 9 22 | 47 47 d 2H J 42 | 39 38 dd 2H J 41 52 | 38 38 s 2H | 37 37 dd 2H J 42 52 | 35 35 t 2H J 9 | 33 32 hept 1H J 61 | 29 28 ddd 2H J 39 66 123 | 27 26 ddd 2H J 39 66 123 | 21 20 ddd 2H J 38 66 132 | 18 17 ddd 2H J 39 66 132 | 14 14 d 6H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(CN)CCS(=O)C1
ir: 4 5 3 3 3 6 3 3 1 1 3 1 3 4 3 1 2 6 2 1 1 1 1 1 0 1 1 0 0 1 1 1 1 2 1 2 1 2 1 1 3 3 2 1 1 1 1 1 2 3 2 0 4 2 1 2 2 2 2 2 3 2 14 5 5 2 2 8 11 4 2 1 5 21 100 41 14 9 5 6 12 10 12 3 2 4 1 3 3 7 2 2 3 1 2 1 2 2 1 1 2 2 1 2 4 3 3 2 3 2 1 2 2 4 0 2 3 3 9 5 5 3 5 7 9 18 11 7 12 16 13 5 5 12 27 8 6 3 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 3 3 3 1 1 1 2 1 9 15 9 3 1 1 1 1 1 1 1 1 1 1 3 3 2 5 9 5 13 20 18 8 6 6 23 9 1 2 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 32 31 dt 1H J 55 110 | 29 28 m 2H | 28 27 ddd 1H J 42 60 129 | 27 26 m 2H | 22 22 s 5H | 20 19 ddd 1H J 44 62 128 | 18 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=S)Oc1cccc2[nH]c(=O)[nH]c12
ir: 3 2 5 10 13 9 8 4 3 2 2 3 2 2 1 1 2 1 1 2 2 2 2 8 4 4 8 2 2 1 1 2 2 1 2 7 3 35 6 2 7 2 1 2 1 1 2 13 5 1 2 2 1 1 5 5 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 3 1 1 1 2 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 5 4 2 1 1 1 1 1 1 1 2 2 1 3 2 1 1 1 2 1 2 7 7 2 6 6 3 5 3 3 2 2 2 7 6 3 2 1 2 1 1 3 6 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 3 2 0 100 4 3 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 3 8 12 4 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 5 6 7 7 11 34 12 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; 1HNMR: 95 95 s 1H | 73 73 dd 1H J 13 82 | 72 71 t 1H J 82 | 71 70 dd 1H J 13 82 | 33 33 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2nn3c(c2-c2ccnc4cc(OCC5CCCO5)ccc24)CCC3)nc1
ir: 2 1 1 2 3 2 2 1 1 1 2 1 1 1 2 1 1 5 3 2 1 2 3 2 3 1 2 1 1 1 1 1 1 2 1 5 2 3 3 3 7 5 4 4 5 6 4 4 2 1 2 2 1 0 6 48 35 7 12 0 39 6 7 11 16 11 14 13 19 39 20 14 4 10 3 4 3 3 3 1 3 20 2 2 2 5 25 4 1 2 3 3 3 1 3 4 4 1 2 6 4 8 8 10 12 13 9 5 9 18 11 19 26 16 7 6 6 2 3 7 9 7 8 5 5 4 2 3 2 4 1 3 3 12 2 2 2 2 2 3 9 31 2 3 2 2 10 14 2 1 4 7 7 3 2 6 2 7 1 18 5 4 3 2 1 0 1 2 8 2 3 1 1 1 4 1 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 3 2 1 1 2 2 3 2 2 7 10 6 4 5 7 11 7 28 21 48 17 41 100 39 25 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 m 2H | 81 80 d 1H J 88 | 79 79 dd 1H J 13 83 | 78 77 ddd 1H J 17 71 83 | 77 77 d 1H J 46 | 74 74 d 1H J 22 | 73 73 ddd 1H J 13 40 71 | 70 69 dd 1H J 22 88 | 44 43 dd 2H J 33 44 | 43 42 dd 1H J 32 122 | 40 40 dd 1H J 31 123 | 39 39 m 1H | 38 38 dddd 1H J 21 36 64 113 | 37 36 m 1H | 30 30 t 2H J 71 | 24 23 dddd 2H J 33 43 70 77 | 22 21 m 1H | 21 19 dtdd 1H J 32 50 62 143 | 19 18 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(C(=O)OC(C)(C)C)CC2Cc3cccnc3N21
ir: 4 10 6 18 5 7 7 6 2 8 27 12 12 6 5 4 7 3 3 1 3 2 11 4 2 3 2 1 1 2 2 1 6 10 79 13 13 6 5 7 4 1 1 1 0 0 1 6 1 1 1 1 1 2 3 5 4 3 1 0 7 37 11 3 1 0 4 3 1 1 1 4 1 2 3 4 1 2 2 18 3 2 2 1 1 2 5 16 8 15 8 1 1 1 1 0 1 3 1 5 2 5 3 2 6 5 13 7 3 2 1 2 2 2 3 3 1 4 6 10 4 12 14 20 35 10 14 16 12 14 3 12 2 5 19 25 79 18 22 5 3 2 1 1 2 1 2 7 100 2 4 48 5 12 20 76 23 3 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 2 2 3 2 4 3 2 2 2 6 4 5 36 11 9 7 14 17 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 21 47 | 73 73 ddt 1H J 9 18 84 | 70 70 dd 1H J 48 84 | 44 43 qdd 1H J 35 62 86 | 42 42 tt 1H J 40 70 | 40 40 dd 1H J 35 106 | 38 37 m 2H | 35 35 dd 1H J 40 108 | 30 29 ddd 1H J 7 70 148 | 27 27 ddd 1H J 9 70 150 | 15 14 s 7H | 13 13 d 3H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1cncn1)c1ccc(Cl)cc1Cl
ir: 2 3 1 5 7 3 2 3 8 4 2 7 3 1 0 1 1 2 2 16 40 11 5 3 3 2 2 5 16 5 6 3 19 45 5 9 6 5 10 14 12 4 6 51 38 6 2 4 9 11 9 1 2 8 72 38 7 1 19 7 2 1 6 14 15 3 72 16 3 4 1 1 1 1 17 1 1 1 2 2 1 6 10 18 41 59 8 25 19 30 29 4 3 13 39 9 12 22 17 22 60 16 5 4 11 11 2 1 2 2 1 2 5 7 5 10 12 23 8 13 24 5 1 5 3 15 63 39 8 6 5 25 11 3 4 1 5 52 26 9 4 1 1 1 1 2 2 7 19 16 8 3 16 13 2 3 2 1 1 1 1 0 2 6 1 0 1 1 1 0 1 1 1 0 1 1 1 2 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 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 1 2 1 1 1 3 2 4 4 4 2 3 6 3 8 10 8 7 10 8 12 15 52 98 100 79 94 8 13 6 5 4 1 1 1 1 0 2 2 1 1 0 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 84 83 dt 1H J 9 19 | 79 78 d 1H J 16 | 78 78 d 1H J 89 | 75 74 d 1H J 22 | 74 73 dd 1H J 21 89 | 58 58 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C)c(Cl)c1Cl)C2
ir: 26 13 7 7 6 6 19 3 5 16 8 6 5 7 11 5 9 8 3 3 11 4 4 3 2 9 8 11 7 6 8 13 4 3 5 5 2 12 7 8 4 6 4 2 3 3 2 9 9 4 7 5 5 5 4 4 3 6 5 3 5 8 5 8 6 4 8 6 23 27 43 9 5 4 6 13 25 58 23 12 2 3 8 3 2 4 6 8 4 5 3 3 4 4 4 2 12 14 8 9 11 4 2 6 7 7 49 9 6 4 2 5 7 10 4 11 6 6 10 24 11 22 25 8 6 6 5 11 25 21 20 15 16 9 7 3 4 3 2 4 35 6 4 10 19 36 8 3 4 2 3 2 2 2 1 1 1 3 9 4 2 13 59 11 3 0 1 2 1 1 1 3 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 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 2 2 2 2 3 2 3 5 6 10 3 2 7 18 10 13 4 6 7 8 17 24 100 24 44 81 29 16 7 3 2 4 2 0 2 2 1 1 2 2 1 0 1 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 66 66 d 1H J 9 | 64 63 d 1H J 9 | 48 48 s 2H | 27 26 dd 1H J 9 130 | 26 25 dddd 1H J 9 55 81 145 | 25 24 m 2H | 22 21 ddd 1H J 54 81 128 | 19 18 ddd 1H J 55 82 128 | 17 16 m 1H | 15 12 m 3H | 14 14 s 10H | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cc2ccc(F)cc2F)c(=O)n2c([nH]c3ccccc32)c1C#N
ir: 12 6 8 8 10 5 3 5 7 4 3 34 36 11 4 12 9 25 12 10 3 10 11 6 26 11 5 5 5 5 5 5 5 4 8 8 4 6 5 2 4 17 11 74 71 14 16 4 45 100 27 12 25 10 12 49 26 6 8 16 9 2 4 7 4 3 13 63 23 13 10 11 11 3 5 10 10 4 6 8 4 5 11 5 5 10 7 8 3 10 13 5 9 43 15 4 35 31 18 11 3 5 6 5 2 9 51 10 6 4 5 4 7 6 5 3 1 9 9 9 12 10 7 7 13 7 6 4 5 8 10 26 22 6 8 18 31 41 19 51 23 21 14 11 19 11 6 4 7 25 9 9 43 17 10 5 18 59 8 78 74 23 17 3 5 4 3 2 3 4 3 3 3 4 3 3 3 3 3 5 3 0 11 41 4 8 2 0 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 4 6 4 3 4 6 5 3 5 7 7 4 9 12 15 16 51 74 87 26 9 6 6 3 4 5 3 4 4 4 4 3 4 5 4 4 5 8 5 4 11 26 26 45 66 46 18 12 14 10 4 5 4 4 3 4 4 3 3 3 4 3 3 3 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 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 95 94 s 1H | 79 78 dd 1H J 14 76 | 74 73 dtt 1H J 8 47 80 | 73 72 td 1H J 14 77 | 72 71 td 1H J 15 81 | 71 70 dd 1H J 14 83 | 70 69 m 2H | 39 39 dp 2H J 11 40 | 22 21 t 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3cc(F)ccc32)c1
ir: 1 3 4 3 2 1 0 2 1 1 1 1 1 2 2 6 3 2 3 4 3 2 2 29 40 17 5 1 1 3 7 3 3 25 25 10 15 7 3 9 11 100 20 4 6 5 14 4 4 3 2 1 9 8 5 2 1 1 1 1 1 1 1 2 2 2 13 44 5 3 1 1 6 3 5 2 0 0 3 17 2 2 0 0 1 1 2 9 11 5 3 4 3 3 3 2 3 3 10 6 3 3 34 3 1 1 2 4 13 8 1 1 0 1 1 0 1 1 1 2 1 2 3 8 14 3 2 3 1 1 1 1 1 1 1 2 6 6 3 8 16 15 42 2 2 8 7 3 1 5 54 8 61 24 4 11 5 0 1 4 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 2 1 2 2 4 13 30 31 17 9 11 7 3 2 2 1 1 1 0 1 1 1 2 2 1 0 1 7 6 5 16 72 11 72 4 2 1 2 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 d 1H J 64 | 87 86 m 2H | 75 75 m 2H | 73 72 dd 1H J 49 64 | 72 71 m 3H | 71 70 m 4H | 67 66 dd 1H J 21 50 | 57 57 d 2H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(NCCCCO)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
ir: 4 2 2 1 3 2 6 3 3 2 4 5 16 4 4 4 3 3 0 3 7 1 1 2 2 0 0 1 3 1 4 11 5 1 2 3 2 1 1 3 3 1 2 10 2 1 6 21 6 3 4 6 3 2 3 17 17 11 6 5 5 10 3 13 9 20 12 6 8 12 26 21 21 6 4 4 2 3 4 4 3 2 3 3 1 8 8 12 10 23 27 6 3 2 6 8 3 5 100 48 14 4 6 4 4 24 57 25 19 8 7 12 87 7 1 3 4 5 3 4 4 3 3 9 19 7 4 1 3 7 6 1 2 6 4 2 1 1 1 3 6 1 2 1 2 2 1 6 2 3 1 1 3 4 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 1 2 3 2 3 4 2 9 26 48 28 6 2 3 2 1 6 19 15 2 2 2 1 1 1 1 1 1 2 3 14 42 35 9 1 0 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 81 81 t 1H J 22 | 78 78 ddd 1H J 11 20 84 | 78 77 m 3H | 77 76 dq 2H J 13 110 | 76 76 dd 1H J 76 85 | 59 59 t 1H J 66 | 36 35 m 2H | 30 30 t 1H J 59 | 30 29 m 2H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)Nc2ccc3c(c2)C(=C2C(=O)Nc4ccccc42)OC3)cc1
ir: 0 1 1 1 1 1 4 22 17 9 3 2 3 0 2 3 3 2 2 2 4 6 2 1 1 2 3 12 6 2 3 2 4 7 11 9 7 6 10 6 5 5 20 5 2 3 3 1 2 2 3 6 10 27 12 100 6 4 4 3 4 0 3 3 1 0 2 3 4 6 1 1 1 2 2 3 1 0 1 1 0 1 2 1 1 1 8 5 2 1 1 1 0 0 2 6 7 4 2 1 4 1 1 1 1 9 3 5 7 1 4 1 0 0 0 1 0 3 1 2 1 0 2 2 3 1 2 2 3 2 2 2 11 2 1 1 0 1 3 3 3 1 2 1 1 1 6 26 12 27 11 10 6 19 3 9 2 14 3 46 2 2 2 2 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 6 5 5 20 21 23 5 5 4 9 1 3 1 1 0 1 1 1 1 1 1 0 1 1 2 13 7 8 17 63 5 3 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 96 95 s 1H | 79 79 m 2H | 75 75 dd 1H J 22 81 | 74 73 m 6H | 72 72 m 1H | 69 69 m 2H | 49 48 d 2H J 7 | 40 39 t 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1CCCN1C1CCOCC1
ir: 2 1 3 3 1 2 5 3 3 2 15 5 9 9 29 7 7 10 24 15 27 51 48 100 19 38 33 12 6 5 6 16 6 8 4 4 2 3 4 6 4 3 4 2 2 6 3 2 2 2 2 3 1 3 2 1 2 5 4 1 5 17 13 6 11 5 4 8 4 6 4 5 4 11 6 20 5 46 62 39 7 7 19 22 16 5 5 5 5 50 23 4 5 13 10 3 12 8 5 2 3 3 4 10 7 11 3 4 2 4 6 8 11 12 13 4 5 4 4 4 6 9 2 5 4 6 5 5 7 3 1 2 1 3 7 23 16 2 1 3 5 2 18 34 16 2 2 2 2 1 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 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 3 4 3 7 7 4 6 4 5 6 7 13 8 8 2 1 1 1 1 0 1 1 1 6 22 20 10 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 38 37 ddd 2H J 35 62 110 | 37 36 ddt 1H J 18 38 59 | 36 35 ddd 2H J 35 62 110 | 30 29 ddd 1H J 33 51 119 | 29 28 p 1H J 62 | 28 27 dddd 1H J 18 34 51 119 | 22 21 dddd 1H J 39 49 69 120 | 20 18 m 4H | 18 17 ddddt 1H J 17 35 52 69 122 | 17 16 dtd 2H J 36 63 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1ccc(C(=O)O)cc1Cl
ir: 5 3 3 4 3 4 5 4 5 7 8 4 15 18 21 22 9 11 33 21 52 100 69 10 14 27 69 60 17 17 5 7 7 21 15 47 37 34 12 10 5 2 4 8 11 7 9 8 5 3 4 5 5 8 58 46 5 5 3 2 3 4 4 3 4 2 3 5 5 4 3 4 3 1 5 34 56 29 42 20 15 19 12 7 7 9 12 17 15 6 7 4 2 2 2 3 5 3 3 8 24 22 2 2 2 3 3 3 2 2 2 2 3 2 0 31 22 3 8 13 11 3 3 3 7 7 9 2 1 2 3 7 19 20 7 8 6 3 4 2 6 14 34 61 67 63 18 3 4 5 7 44 3 21 4 17 7 3 2 1 2 2 3 6 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 4 3 2 3 2 2 2 2 3 3 4 17 25 19 6 4 3 3 2 2 2 51 94 52 6 8 30 23 3 3 2 3 4 4 6 61 31 46 39 22 8 2 3 3 2 1 1 2 2 2 2 2 2 1 3 3 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 80 d 1H J 22 | 78 78 dd 1H J 22 81 | 73 72 d 1H J 81 | 65 64 t 1H J 41 | 46 46 d 2H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCCS
ir: 0 1 5 2 2 2 1 1 0 1 1 1 1 1 1 1 3 2 2 1 1 1 1 0 1 1 1 0 1 3 2 1 5 23 4 1 1 5 11 87 100 20 5 4 2 1 8 5 5 6 7 3 3 4 11 10 1 0 1 2 1 0 4 2 2 2 1 1 3 2 5 2 0 0 1 2 1 0 1 1 1 0 1 5 0 0 1 1 2 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 4 3 3 2 2 4 9 13 3 2 5 6 11 23 5 4 2 3 1 3 2 4 1 1 3 55 14 13 7 2 20 8 1 1 1 1 0 0 1 1 1 1 1 2 1 1 7 54 6 4 1 1 9 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 3 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 1 2 3 1 1 8 7 1 6 32 22 5 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 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 1 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 0 1 0 0; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 41 41 t 2H J 55 | 27 27 q 2H J 59 | 20 19 p 2H J 56 | 14 14 t 1H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCC(=O)OC(C)(C)C)cc(C)c1C=O
ir: 5 8 6 3 1 2 1 2 5 5 9 4 5 3 3 3 3 3 2 3 3 2 1 2 6 5 10 6 3 3 5 10 4 2 3 2 2 2 10 2 2 2 2 3 4 5 2 2 1 3 3 3 2 3 3 2 3 8 4 8 12 7 8 19 27 16 5 6 7 11 14 17 20 3 3 3 1 0 2 2 1 0 1 2 0 0 2 2 1 3 11 4 3 7 3 3 7 13 9 4 2 1 3 2 2 3 24 31 12 8 3 7 1 2 3 3 2 5 11 16 4 19 13 4 5 6 9 10 7 11 13 17 8 9 5 3 2 1 2 1 1 2 5 12 37 43 9 6 4 3 2 1 2 2 4 1 3 36 8 2 3 6 100 5 3 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 5 8 5 3 4 4 1 1 1 3 2 3 6 16 30 9 22 46 20 6 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 68 67 s 2H | 47 47 s 2H | 24 24 s 7H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCCc1ccc(-c2ccc(F)cc2)nc1
ir: 7 18 17 12 0 6 6 38 3 4 3 3 3 3 3 3 1 4 3 1 1 2 2 1 1 2 2 2 1 3 5 3 2 2 9 7 14 19 5 1 2 3 3 3 3 3 5 12 4 8 5 18 29 100 8 16 10 7 25 9 3 2 2 2 2 2 7 3 10 31 21 9 6 11 12 3 2 3 2 2 2 2 2 2 2 3 8 16 55 14 3 2 3 5 6 2 3 3 2 5 23 29 5 4 2 2 2 2 3 3 7 3 4 2 2 2 3 4 7 3 4 11 21 8 9 8 2 2 3 2 2 3 3 8 6 3 37 5 1 3 2 2 2 3 3 3 10 4 3 7 8 4 6 3 2 2 2 2 2 11 2 2 2 18 2 2 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 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 2 2 2 2 2 9 3 2 2 3 3 3 2 2 2 2 2 2 5 15 10 8 14 25 11 23 8 3 3 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 dt 1H J 9 19 | 77 77 m 2H | 76 75 d 1H J 82 | 74 73 ddt 1H J 9 18 82 | 72 71 m 2H | 41 40 t 2H J 69 | 30 30 s 2H | 28 27 tt 2H J 8 92 | 21 20 tt 2H J 69 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
ir: 12 10 16 12 18 7 11 5 3 6 7 4 4 5 6 6 5 4 3 5 5 4 10 5 11 12 23 7 9 21 41 84 32 34 13 9 7 9 22 28 46 30 100 21 4 6 3 1 1 2 2 1 1 3 1 2 3 2 2 1 2 5 6 2 3 3 4 12 32 7 10 5 2 2 3 9 4 5 7 1 1 1 2 1 2 3 1 3 7 7 2 3 2 1 2 4 14 11 10 13 4 3 1 4 7 4 16 8 5 7 5 10 5 12 6 9 18 10 9 11 7 4 5 4 6 16 13 12 14 9 7 6 5 3 9 7 1 26 3 6 4 67 67 88 24 5 3 8 8 55 7 10 18 33 4 5 2 0 1 2 2 7 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 3 1 3 2 2 5 3 2 4 3 3 7 6 5 26 18 26 88 38 34 26 4 3 5 3 3 3 3 2 1 1 2 2 1 2 2 2 1 2 5 7 41 55 42 12 3 2 1 1 1 2 1 1 1 1 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 90 d 1H J 68 | 76 76 m 1H | 74 73 m 7H | 72 71 m 2H | 71 70 dt 1H J 8 66 | 58 58 d 1H J 86 | 52 51 m 2H | 46 45 dt 1H J 71 86 | 34 33 ddd 1H J 7 71 148 | 31 31 ddd 1H J 7 70 148 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(SCCCCC(=O)O)cc1
ir: 1 4 1 2 1 1 2 3 3 2 4 6 11 6 8 8 6 12 14 12 84 39 36 19 8 6 2 0 0 2 2 0 1 1 2 0 1 2 2 1 3 3 2 1 2 3 1 2 1 2 1 0 1 4 15 3 2 3 2 3 2 2 2 4 2 3 1 0 2 2 1 0 1 5 12 4 5 10 21 15 6 7 6 5 11 7 2 3 3 2 1 1 2 1 0 1 2 3 2 1 2 3 5 12 2 3 1 1 1 1 2 3 3 1 0 1 2 1 2 4 9 2 2 2 2 1 2 4 2 1 0 1 1 1 1 1 2 2 2 2 2 8 14 16 12 6 9 3 2 1 1 3 5 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 1 1 1 1 2 1 3 1 1 1 2 1 1 2 2 2 5 3 8 8 5 1 2 1 3 2 2 6 19 100 29 19 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 73 m 2H | 69 68 m 2H | 38 38 s 3H | 30 29 m 2H | 24 24 m 2H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(CCN2CC[C@@H](O)C2)cc2c(F)cccc12
ir: 6 7 14 18 7 5 8 7 6 7 8 6 6 7 9 8 7 6 12 7 6 6 6 6 6 7 10 6 6 9 9 5 5 6 6 7 6 6 5 7 19 5 6 9 8 6 8 32 46 10 7 14 10 33 20 30 9 13 9 11 6 7 7 7 7 10 11 8 8 10 6 5 9 10 6 8 6 7 14 11 11 13 8 8 14 29 27 12 8 19 10 8 8 18 11 7 8 8 12 8 19 8 7 7 8 7 7 7 8 5 6 5 6 6 5 6 6 8 8 21 10 8 6 15 8 7 6 7 6 6 10 12 7 9 5 6 6 6 11 6 7 6 5 6 12 6 5 5 6 5 5 7 6 5 23 18 7 4 5 15 80 17 23 0 5 8 6 3 5 7 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 7 7 6 8 7 7 7 7 7 8 6 6 8 12 19 7 14 13 25 23 8 10 9 15 17 100 15 8 9 7 7 6 7 8 7 7 7 13 10 7 9 54 31 42 9 8 7 7 6 6 7 6 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 96 95 s 1H | 78 77 dd 1H J 14 79 | 75 74 td 1H J 52 82 | 74 73 ddd 1H J 15 84 100 | 70 69 dt 1H J 12 45 | 43 42 dddd 1H J 19 29 37 85 | 30 29 m 2H | 28 28 m 1H | 27 26 m 3H | 26 24 m 3H | 21 20 dddd 1H J 30 56 79 129 | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccccc1C(=O)Nc1nccs1
ir: 1 2 2 1 1 1 2 1 1 3 4 1 1 2 2 4 6 1 2 1 1 3 3 3 4 2 5 7 2 1 2 2 2 6 3 3 5 9 1 1 1 1 20 8 1 2 2 2 2 1 2 1 1 2 1 2 1 1 0 0 1 1 1 0 1 1 4 0 3 3 1 4 8 8 14 14 2 2 5 1 1 1 1 2 2 2 2 1 3 1 0 0 1 1 1 3 3 2 1 1 1 2 9 2 3 1 3 10 5 1 1 1 2 1 2 2 2 2 1 2 1 3 1 1 2 3 5 10 17 16 1 3 2 1 7 9 10 4 2 3 10 19 20 4 7 2 2 1 1 9 2 1 2 1 0 1 2 1 0 1 1 0 0 1 5 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 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 1 0 0 1 1 0 0 1 1 0 1 3 2 1 1 1 1 1 2 1 2 3 5 8 7 7 12 10 16 100 62 30 8 2 2 3 1 1 1 1 0 0 1 2 1 2 1 1 1 1 1 6 2 11 14 11 4 2 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; 1HNMR: 79 78 dd 1H J 16 81 | 76 76 m 1H | 75 75 d 1H J 44 | 74 74 td 1H J 13 79 | 73 73 m 2H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2cccc(-n3ncnc3CNC3CC3)c2)=Nc2cc(Cl)c(C(F)(F)F)cc2N1
ir: 10 7 5 3 3 4 2 17 6 10 10 10 8 5 2 7 6 5 4 10 9 12 6 9 15 19 6 5 13 3 2 12 24 80 27 32 37 8 12 12 11 10 13 8 18 14 21 59 33 7 4 11 8 3 13 12 7 2 5 5 3 4 6 5 3 9 6 37 32 22 10 8 7 8 3 6 5 4 5 10 4 3 3 3 4 5 6 7 2 4 4 2 2 4 4 9 33 17 14 40 8 3 6 9 6 14 3 2 7 9 4 13 9 20 24 34 98 14 19 4 3 17 14 6 16 16 4 11 5 12 11 9 13 44 8 7 4 7 6 9 5 6 8 38 11 10 6 3 11 8 9 8 57 4 74 31 28 5 3 0 3 6 4 2 9 3 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 2 1 2 3 5 10 4 3 5 4 4 3 5 21 9 25 100 34 12 14 7 4 4 2 2 2 5 2 4 5 3 5 6 10 39 69 35 26 19 23 22 16 16 21 6 2 6 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 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 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 98 97 s 1H | 80 80 s 1H | 80 79 q 1H J 20 | 78 77 m 1H | 76 76 m 2H | 75 74 m 2H | 43 42 dt 1H J 34 67 | 42 41 d 2H J 33 | 38 38 s 2H | 26 25 dp 1H J 43 64 | 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(CCCO)Nc1cn2cc(I)ccc2n1
ir: 1 1 1 1 3 2 0 1 3 3 1 1 2 1 6 1 1 2 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 2 3 5 3 10 7 6 5 3 6 2 4 3 4 2 1 2 6 5 13 12 3 3 4 8 12 8 8 1 3 1 1 1 1 1 1 1 2 1 3 6 3 4 3 10 6 20 9 15 6 7 10 5 3 2 2 2 3 1 1 5 2 0 1 2 4 6 3 2 2 1 1 3 2 3 3 6 1 2 2 2 1 5 9 3 1 0 1 1 1 1 1 1 1 1 1 1 3 0 2 1 1 2 10 9 12 25 1 1 1 1 2 1 0 1 3 21 100 4 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 2 2 3 3 3 2 1 1 2 2 1 3 6 3 9 5 2 10 7 21 8 3 4 6 16 24 8 3 1 1 2 2 1 2 3 2 4 6 8 16 12 8 5 3 3 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 97 97 s 1H | 95 95 d 1H J 12 | 77 76 dd 1H J 13 84 | 75 74 d 1H J 83 | 74 74 s 1H | 41 41 m 1H | 36 35 q 2H J 59 | 26 25 t 2H J 86 | 19 18 tt 2H J 59 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCCCC1C1CC1C1CC1
ir: 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 2 1 2 3 1 2 2 1 1 1 1 3 4 1 1 1 3 8 28 34 2 0 1 1 1 2 1 1 1 4 1 1 1 6 16 3 12 3 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 2 2 6 4 3 10 16 8 3 3 2 5 17 22 4 7 4 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 3 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 4 4 3 2 4 1 2 1 2 1 2 4 4 2 4 5 20 10 13 11 5 2 2 3 4 100 48 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 29 29 tq 1H J 42 53 | 17 13 m 13H | 13 12 td 1H J 52 71 | 10 9 td 1H J 52 71 | 9 8 m 2H | 9 8 tt 1H J 51 74 | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccccc1OCCCN1CCOCC1
ir: 7 3 2 2 2 5 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 4 15 12 6 6 8 3 2 2 3 2 2 3 2 1 2 4 11 23 100 7 5 12 5 5 9 8 4 4 2 20 11 3 7 16 5 3 2 3 22 17 6 4 3 5 3 7 8 8 10 20 3 3 4 6 3 20 19 4 6 3 4 29 38 3 2 2 2 8 7 3 5 5 5 3 12 5 4 26 4 8 5 3 2 2 8 15 2 7 8 9 5 3 5 4 5 7 4 2 2 4 5 3 3 3 3 3 3 3 2 3 3 3 12 26 24 4 3 3 2 2 2 2 3 9 10 6 2 2 3 5 4 2 5 13 2 4 20 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 2 4 4 4 2 2 3 2 1 3 12 10 0 32 67 14 6 2 1 2 4 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 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; 1HNMR: 78 78 dd 1H J 15 78 | 74 74 td 1H J 14 78 | 71 70 td 1H J 12 77 | 70 69 dd 1H J 12 81 | 41 40 t 2H J 66 | 37 37 m 4H | 28 27 m 2H | 26 25 m 4H | 19 19 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc(-c2cnn(C)c2SSc2c(-c3nnn(C)n3)cnn2C)n1
ir: 2 2 2 2 2 2 6 8 23 14 5 11 5 3 1 4 5 4 2 4 8 13 8 3 4 4 4 6 19 38 62 16 8 5 2 2 2 1 2 2 2 5 6 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 6 1 2 2 1 2 3 4 4 4 4 3 3 3 2 2 4 3 2 2 1 1 1 2 2 5 5 5 5 10 6 2 1 1 2 2 2 28 2 2 2 2 1 2 3 1 1 2 1 2 2 2 3 5 5 4 3 3 4 3 7 5 6 11 2 3 8 12 7 5 9 78 5 3 35 100 10 2 1 3 3 4 70 9 3 2 2 3 3 8 37 45 3 2 2 2 3 5 20 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 2 2 4 4 2 4 3 4 3 6 6 10 6 6 4 4 2 2 3 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 1 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 82 s 2H | 44 44 s 6H | 39 39 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(CNc2cccn3nc(Nc4cccc(N5CCN(C)CC5)c4)nc23)c1
ir: 1 1 1 2 2 1 1 1 2 3 2 1 1 0 1 1 1 1 1 0 1 1 1 2 1 3 2 1 2 2 10 4 1 1 1 1 3 1 1 1 1 1 1 1 1 3 8 14 12 6 6 3 1 1 2 2 5 7 1 1 0 0 1 1 2 3 6 17 8 3 1 3 2 1 1 1 1 1 3 6 4 2 2 1 2 4 1 0 9 8 6 3 3 5 1 1 1 2 2 10 4 1 2 1 3 2 6 4 1 1 2 4 4 2 3 6 2 2 3 6 7 3 3 2 2 4 7 4 2 3 3 1 0 1 0 0 0 1 1 2 7 9 2 4 1 3 2 2 3 3 1 1 4 3 1 2 3 5 2 1 2 2 1 3 3 3 4 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 1 3 2 1 2 2 7 3 15 10 12 7 100 28 8 4 3 1 1 1 1 1 0 1 1 1 0 1 1 1 3 3 7 3 5 2 1 8 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 p 1H J 47 | 87 87 s 1H | 75 75 t 1H J 52 | 74 73 m 3H | 72 72 m 2H | 72 71 dtd 1H J 9 20 79 | 70 69 t 1H J 21 | 69 68 td 1H J 10 21 | 68 68 ddd 1H J 12 21 73 | 66 65 ddd 1H J 11 21 71 | 46 46 dt 2H J 9 53 | 38 38 s 2H | 33 32 t 4H J 47 | 32 32 dt 2H J 48 112 | 29 28 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)C(=O)c1cc2c(c(OC)c1)OC(C)(C)C2
ir: 12 13 13 5 2 5 3 5 9 14 11 12 12 8 13 3 4 3 3 3 3 2 1 1 2 1 2 2 2 4 3 3 3 4 4 6 8 11 22 50 58 4 5 5 2 1 2 4 3 1 1 2 3 9 8 2 6 3 5 8 3 5 14 10 11 15 16 5 30 27 17 13 21 13 6 6 9 4 2 1 1 3 3 17 25 25 5 3 4 8 13 4 2 3 3 2 2 5 7 18 4 10 24 19 8 3 1 2 4 3 2 3 14 57 23 28 1 13 30 34 41 31 12 14 16 32 11 25 15 28 13 5 3 4 4 2 1 10 32 1 4 6 7 11 1 55 45 100 9 0 1 3 2 0 2 2 4 3 2 2 1 1 2 4 4 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 3 2 7 6 6 5 2 2 6 4 1 2 7 6 6 25 52 31 24 18 34 41 26 20 11 4 3 2 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dt 1H J 9 18 | 73 73 d 1H J 20 | 39 39 s 3H | 37 37 s 3H | 30 30 d 2H J 9 | 14 14 d 13H J 18
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CCC(N=NC2CCCCC2)CC1
ir: 4 8 7 4 1 1 1 1 2 2 2 2 3 6 7 8 4 1 1 1 0 1 1 1 0 1 1 1 2 3 4 1 1 1 1 1 1 2 3 3 2 2 1 1 1 2 6 4 9 5 1 2 3 10 8 3 5 7 3 4 1 1 1 0 0 1 0 1 1 2 1 1 2 5 9 1 4 2 2 4 12 7 3 2 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 1 1 2 8 8 7 7 8 23 67 100 61 26 22 12 22 8 9 13 9 12 13 10 13 7 8 2 2 4 2 2 2 4 5 3 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 2 2 1 1 2 2 3 5 3 7 13 11 17 13 5 22 19 14 68 57 39 21 8 5 2 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 p 2H J 63 | 19 18 dddd 4H J 54 63 80 118 | 18 16 m 4H | 16 15 m 8H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C=C2c3ccccc3OC(=O)N2CC1=O
ir: 1 3 5 4 11 22 22 14 15 7 4 5 13 4 3 8 2 3 3 2 0 5 11 3 2 6 7 27 3 17 5 1 2 3 4 4 1 11 20 8 10 4 18 27 5 5 3 0 2 3 1 0 2 5 8 4 2 6 2 0 3 4 7 4 4 5 11 12 5 10 4 12 3 4 4 1 2 2 1 1 2 3 2 1 3 2 1 1 3 2 1 1 4 3 1 4 5 3 1 2 4 8 3 2 7 3 1 2 7 6 2 6 8 5 1 4 5 5 9 8 9 25 65 18 8 5 1 5 7 3 5 16 8 2 2 30 5 6 6 3 5 4 4 8 3 1 1 2 5 100 21 6 6 21 2 3 2 1 1 5 3 0 1 2 2 0 3 6 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 5 4 3 3 3 2 3 4 4 15 8 5 13 42 27 17 5 2 2 3 1 2 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 76 75 m 1H | 75 74 m 1H | 71 71 m 2H | 68 68 t 1H J 9 | 44 43 s 2H | 38 38 td 2H J 9 67 | 16 16 p 2H J 66 | 14 13 dtd 2H J 63 73 140 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccncc1Nc1noc2ccccc12
ir: 1 2 2 2 1 2 4 4 6 6 7 3 6 26 2 9 8 22 5 12 6 8 9 26 17 5 3 6 4 3 7 15 45 14 22 43 45 5 7 14 34 10 48 16 6 4 3 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 7 3 3 14 12 6 12 42 7 9 5 16 5 5 5 7 4 2 4 3 3 3 2 2 1 3 3 2 3 9 2 2 1 2 2 2 1 1 3 3 0 53 3 3 25 28 20 4 10 6 11 7 5 8 25 7 3 3 3 2 1 6 45 16 53 6 1 3 3 5 6 18 23 3 2 6 15 11 3 5 6 4 2 15 13 4 3 15 48 9 46 11 14 27 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 1 2 1 2 2 1 2 2 2 2 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 2 1 2 2 2 1 2 1 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 3 3 4 5 19 76 24 9 7 1 3 6 2 2 12 100 69 7 3 2 3 3 2 4 4 2 3 4 6 55 50 20 33 15 3 5 6 4 2 2 5 4 2 1 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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; 1HNMR: 93 92 s 1H | 87 87 d 1H J 12 | 81 81 dd 1H J 14 45 | 81 80 dd 1H J 15 100 | 78 77 d 1H J 45 | 76 76 dd 1H J 15 76 | 74 74 ddd 1H J 12 75 88 | 73 72 ddd 1H J 15 89 103
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)C=C(SC)SC)cc1
ir: 4 24 4 4 4 3 1 5 13 46 16 6 2 9 8 8 25 19 8 2 1 2 2 1 2 5 2 2 4 6 7 12 13 6 12 7 3 5 3 15 51 66 15 7 5 6 6 3 3 2 1 2 2 2 3 2 46 56 11 14 5 2 1 1 1 2 1 1 2 23 4 14 9 8 22 17 8 9 6 5 2 10 1 1 2 2 7 1 4 9 2 1 1 1 1 1 2 1 3 3 2 2 1 1 2 1 2 2 1 2 5 27 51 8 26 100 80 19 12 13 7 5 0 11 14 56 13 9 1 2 2 1 1 2 2 1 1 2 2 0 2 17 11 70 97 22 4 4 4 1 58 39 6 3 16 4 7 15 6 6 5 1 1 3 3 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 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 3 2 1 1 2 2 1 2 3 3 2 5 11 8 8 57 43 49 72 27 14 10 9 4 5 5 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 80 79 m 2H | 69 68 s 1H | 39 39 s 3H | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1cnc2c(-c3ccccc3)csc2c1=O
ir: 7 8 9 7 6 10 9 16 6 11 9 9 7 9 8 6 5 7 8 6 5 8 8 8 7 8 11 7 8 11 13 31 18 38 9 8 8 8 10 8 95 25 100 10 10 4 42 7 35 13 27 5 8 11 22 10 26 15 20 8 14 11 7 6 7 9 7 8 9 13 7 6 7 8 10 25 24 18 7 8 8 8 7 6 8 8 6 6 8 8 5 7 9 9 6 6 18 27 16 7 8 8 6 7 8 7 5 8 10 16 19 14 15 21 9 7 8 7 6 9 12 8 7 7 9 10 16 16 18 11 8 10 9 11 12 14 35 11 7 9 15 20 23 12 9 10 36 12 10 8 7 10 15 10 16 13 8 5 14 23 10 9 17 9 7 5 7 8 7 5 7 8 7 5 7 8 7 5 7 8 6 5 7 8 6 5 7 8 6 6 7 8 6 6 7 8 6 6 7 7 6 6 8 7 6 6 8 7 6 6 8 7 6 6 8 7 5 6 8 7 5 6 8 7 5 7 8 7 5 7 8 7 5 7 8 6 5 7 8 6 5 7 8 6 6 7 8 6 6 7 8 6 6 7 7 6 6 7 7 6 6 8 7 6 6 8 7 6 6 9 8 7 7 8 7 6 8 10 8 7 7 9 9 10 16 14 15 0 39 23 16 9 10 11 9 7 8 8 7 6 7 8 6 6 7 8 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 8 7 6 6 8 7 6 6 8 7 5 7 8 7 5 7 8 7 5 7 8 6 6 7 8 6 6 7 8 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 8 7 6 7 8 7 6 7 8; 1HNMR: 85 85 t 1H J 9 | 76 76 m 2H | 75 74 m 3H | 74 73 m 1H | 40 40 dd 2H J 9 46 | 21 20 dtt 1H J 47 68 137 | 10 9 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.