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COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1
ir: 5 8 13 4 6 6 6 7 4 3 3 1 4 2 2 4 3 2 6 8 13 6 6 5 7 4 4 7 3 3 2 1 7 4 2 1 2 2 2 4 8 6 2 0 2 2 2 3 9 13 4 9 5 5 14 14 24 9 15 25 26 20 4 14 3 3 2 3 6 22 22 9 7 3 15 8 13 6 3 2 2 2 44 2 3 3 4 4 4 5 12 6 15 5 2 8 8 16 8 30 21 3 13 7 7 3 6 2 2 2 1 2 3 5 1 6 25 10 12 6 5 7 2 16 10 7 10 25 12 8 8 8 14 4 1 2 3 2 2 16 36 9 5 12 9 10 21 22 30 24 17 3 19 7 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 2 2 3 5 3 3 4 4 3 3 5 6 4 8 5 21 53 53 10 62 100 34 13 32 9 6 4 2 1 4 2 11 60 32 10 3 2 3 2 2 3 5 5 12 22 10 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 1H | 76 76 d 1H J 51 | 74 73 m 5H | 69 69 m 2H | 38 38 s 3H | 37 37 d 2H J 9 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1c(Cl)ccc(Br)c1F
ir: 11 5 0 6 11 5 0 10 11 5 1 7 11 4 2 11 15 6 2 7 9 3 2 8 8 3 3 8 8 3 3 8 27 15 4 9 8 4 5 9 7 1 4 9 7 2 4 12 8 1 5 11 23 44 26 11 6 2 19 12 6 1 6 10 5 1 6 10 4 2 6 9 4 2 7 9 4 3 8 8 3 3 8 8 3 3 8 8 3 4 9 10 13 6 8 7 45 53 9 7 2 6 12 9 0 5 13 7 1 17 27 13 5 13 44 30 9 34 32 8 1 10 25 13 1 6 10 4 1 7 9 4 1 7 9 4 45 28 13 4 3 9 8 5 5 8 9 5 10 30 8 9 7 9 7 2 15 18 17 2 5 10 6 2 5 11 7 2 5 10 5 1 5 10 5 1 6 9 5 2 6 9 5 2 6 9 4 2 7 8 4 3 7 8 4 3 8 8 4 5 8 7 3 3 8 7 3 4 8 7 3 4 8 7 2 4 9 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 3 6 8 5 3 6 8 4 3 7 8 4 3 7 7 4 3 7 7 4 4 7 7 3 4 8 8 6 6 8 7 3 6 12 11 8 7 9 7 7 9 15 10 11 11 25 80 30 23 77 100 7 15 17 7 9 10 11 5 2 12 14 4 2 7 9 4 2 7 8 4 3 7 8 3 3 7 7 3 4 8 7 3 4 8 7 3 4 8 6 2 4 8 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 8 5 2 6 8 5 3 6 8 4 3 6 8 4 3 7 7 4 4 7 7 4 4 7 7 3 4 7 7 3 4 8 6 3 5 8 6 3 5 8 6 3 5 8 6 2 5 8 5 2; 1HNMR: 75 75 dd 1H J 48 70 | 73 72 d 1H J 70 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1C2CCC1CC(=C1c3ccccc3Oc3cc(C(=O)N(CC)CC)ccc31)C2
ir: 6 8 8 8 3 3 5 10 3 5 2 18 15 3 2 2 9 4 9 3 2 4 5 10 2 2 1 2 2 2 2 3 2 1 2 4 6 8 9 19 60 18 66 11 13 3 7 7 4 1 3 14 2 2 4 5 6 8 10 7 8 7 8 3 3 0 3 8 10 6 4 6 6 2 10 4 6 3 2 2 1 1 3 4 2 1 3 4 0 8 2 3 2 2 3 7 3 4 3 6 6 3 6 2 3 4 9 18 5 10 20 14 20 14 11 4 5 5 9 3 6 10 7 14 8 13 15 13 20 13 3 6 31 10 14 9 2 8 26 4 9 9 8 6 4 25 36 8 7 11 78 100 11 3 3 2 3 1 2 1 4 4 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 2 3 2 6 12 4 3 4 6 3 7 15 42 14 23 90 42 10 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 20 92 | 76 75 m 3H | 74 73 td 1H J 16 78 | 73 72 td 1H J 13 77 | 72 71 dd 1H J 13 79 | 43 42 ttt 2H J 17 34 51 | 42 41 q 2H J 66 | 35 34 q 4H J 71 | 30 30 dd 2H J 50 144 | 27 27 dd 2H J 49 145 | 21 20 m 2H | 18 17 m 2H | 12 12 td 9H J 42 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H](O)CCl
ir: 16 16 12 11 36 19 11 20 15 29 16 13 5 7 5 3 4 3 5 6 4 3 4 6 5 11 5 9 6 3 3 2 1 3 2 2 2 3 4 4 5 2 3 3 5 5 4 3 3 3 5 3 2 3 3 1 2 2 5 4 3 3 3 12 4 7 2 3 7 7 5 4 2 2 3 3 2 2 1 1 3 2 4 2 9 9 20 100 34 56 70 57 33 13 20 12 9 5 5 6 7 21 9 11 1 5 5 2 3 13 15 4 4 2 2 4 4 4 4 4 5 9 14 9 11 20 5 6 4 4 4 4 4 4 2 1 2 2 2 1 3 3 4 23 49 14 6 3 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 3 4 8 5 2 3 3 6 5 14 57 3 2 2 2 1 2 5 3 10 19 26 10 8 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 44 43 tdt 1H J 28 48 66 | 40 40 d 1H J 49 | 38 37 dd 1H J 27 117 | 37 37 s 2H | 35 35 dd 1H J 29 117 | 27 26 dd 1H J 66 172 | 25 24 dd 1H J 66 172
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)(C)C)cc1NC(N)=S
ir: 1 2 5 3 2 1 2 2 2 8 7 1 0 2 2 1 2 2 3 2 1 7 5 1 27 46 18 8 7 5 15 27 25 13 23 12 9 15 12 6 5 4 2 3 3 1 1 2 1 2 1 1 1 1 11 7 1 1 1 2 2 4 9 5 2 3 2 3 29 6 4 1 2 2 11 2 1 2 1 4 3 2 1 1 1 1 1 2 2 6 2 2 2 2 4 2 2 1 1 1 1 1 1 2 1 3 2 6 1 1 1 1 0 2 8 3 2 2 1 3 3 8 3 3 2 3 2 2 2 2 2 2 2 6 4 2 2 6 11 6 1 1 1 1 2 1 2 2 4 4 8 2 4 18 3 4 4 36 47 3 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 2 2 2 4 12 4 6 22 8 9 6 2 3 3 1 1 1 2 1 1 1 2 1 1 17 24 3 2 2 3 5 100 4 1 2 2 2 89 10 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 94 94 s 1H | 74 74 m 3H | 72 71 dd 1H J 22 77 | 68 68 d 1H J 78 | 39 39 s 3H | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCn2c(cc3cc(Br)ccc32)C1
ir: 2 5 7 7 8 12 7 12 3 8 14 9 12 6 10 6 6 5 4 2 2 3 4 3 2 3 4 3 2 3 3 2 3 6 5 2 3 4 4 5 3 5 6 13 7 8 5 2 2 4 4 1 9 14 8 6 3 3 3 2 3 4 3 3 3 3 4 13 4 3 2 2 3 4 2 2 3 3 2 5 3 3 7 4 3 3 3 4 4 5 6 4 4 3 3 3 5 3 3 4 6 7 12 19 15 13 4 4 4 3 4 3 5 7 3 6 11 5 12 14 6 12 8 20 7 4 6 9 11 22 6 9 8 6 5 12 8 7 13 3 3 3 3 3 6 5 3 2 3 10 6 100 9 0 2 12 3 2 2 4 3 2 5 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 4 3 3 3 4 5 5 5 4 4 4 4 5 6 16 32 10 19 16 10 27 5 3 6 5 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 76 76 t 1H J 22 | 74 74 dd 1H J 20 82 | 72 72 d 1H J 84 | 66 66 m 1H | 44 44 d 2H J 8 | 42 41 m 2H | 36 36 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-n2cccc(C(=O)O)c2=O)n1
ir: 1 1 5 1 2 3 1 1 1 2 1 1 2 2 3 2 3 2 2 2 2 3 2 11 38 3 2 2 2 1 3 1 1 1 2 2 2 1 1 2 1 1 2 2 6 21 23 3 1 3 3 3 2 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 2 2 3 2 3 2 2 1 3 9 2 4 4 5 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 5 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 3 2 2 6 7 4 3 2 2 3 7 2 2 15 5 3 2 1 4 12 2 1 2 3 4 1 3 4 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 7 8 2 5 3 1 1 2 4 5 100 7 0 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: 83 82 dd 1H J 13 79 | 80 79 dd 1H J 14 85 | 76 76 dd 1H J 12 70 | 75 74 m 1H | 71 70 dt 1H J 8 79 | 62 62 t 1H J 81 | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cccc2ccccc12
ir: 1 1 3 6 2 7 3 1 1 1 3 4 2 2 3 2 2 2 3 4 1 1 2 2 3 2 1 2 2 2 2 3 2 0 6 5 20 26 2 2 5 2 3 6 25 48 41 5 8 10 11 2 1 2 2 1 2 2 1 0 1 3 2 4 8 3 1 1 2 2 1 1 2 4 4 3 5 5 1 2 4 6 1 3 3 2 0 0 1 2 3 3 2 4 8 3 2 2 3 3 2 2 2 6 11 6 1 2 4 4 3 2 3 1 0 1 3 2 1 2 3 1 1 3 7 16 40 15 7 5 2 2 3 2 2 1 17 16 5 6 3 1 0 3 3 4 17 23 22 7 8 11 11 3 3 3 7 4 7 5 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 1 2 1 1 1 2 2 1 2 3 3 2 7 11 14 100 63 68 6 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 81 81 m 1H | 80 80 dt 1H J 15 77 | 78 78 dd 1H J 14 82 | 77 77 t 1H J 82 | 77 76 td 1H J 13 85 | 76 75 dddd 2H J 13 32 42 87 | 36 35 s 3H | 31 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)C(=C(C)O)c1ccc(C)cc1
ir: 1 1 2 1 1 1 1 4 5 10 3 2 18 10 8 10 7 12 6 7 9 8 19 43 5 16 5 6 1 3 2 1 2 4 2 3 1 3 1 1 1 2 11 0 3 8 4 2 4 4 1 2 5 15 4 0 1 2 2 11 10 4 2 3 1 3 1 3 2 5 4 1 2 2 4 1 1 1 1 1 1 1 7 3 1 2 3 3 3 55 2 1 1 2 0 1 3 3 5 18 63 11 7 5 2 15 10 10 10 2 1 1 0 1 2 3 1 2 2 1 1 1 2 3 3 4 3 1 2 4 2 1 1 16 6 3 1 0 1 0 0 0 1 2 3 33 1 4 8 2 1 1 4 2 2 1 70 1 0 1 0 0 2 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 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 2 2 2 1 2 3 4 8 10 23 26 22 14 100 68 22 13 13 2 1 3 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 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: 75 75 m 2H | 73 72 m 2H | 44 43 q 2H J 71 | 23 23 d 3H J 8 | 21 21 s 3H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccc(Cl)cc1Br
ir: 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 4 6 8 3 3 2 7 4 7 15 100 16 10 5 5 4 2 0 3 4 2 0 7 4 3 2 3 26 33 8 14 24 18 16 12 8 6 5 5 3 3 1 1 1 1 1 1 2 2 4 2 2 3 4 8 4 3 6 11 3 1 1 2 2 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 2 4 3 2 1 1 1 2 5 14 76 7 15 6 2 2 2 1 1 2 2 2 4 11 5 4 3 9 32 7 4 2 2 1 1 1 2 10 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 16 8 2 2 2 1 1 2 2 1 1 2 2 2 7 27 15 4 2 2 2 3 8 11 18 7 13 6 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 t 1H J 41 | 78 78 d 1H J 84 | 77 77 d 1H J 21 | 74 74 dd 1H J 20 84 | 43 43 d 2H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1cnc2c1CCNC2)OCc1ccccc1
ir: 5 6 6 6 7 5 7 6 8 40 30 10 10 7 3 2 3 4 13 14 12 10 5 4 10 4 2 2 3 3 19 12 7 7 5 2 4 5 26 20 65 23 8 7 6 0 19 8 38 9 7 6 6 8 37 24 19 79 31 11 9 4 16 73 19 7 8 45 17 10 7 6 3 2 2 2 2 3 4 2 2 1 2 1 2 2 2 1 9 13 4 6 3 7 13 4 4 13 19 13 7 4 7 8 2 4 5 4 7 44 41 11 12 19 22 31 30 10 7 13 12 17 15 7 4 8 24 26 11 7 12 3 9 4 6 8 5 2 2 2 2 4 23 11 23 44 57 9 2 4 3 8 6 5 3 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 6 8 7 3 3 3 3 2 4 9 29 17 11 65 33 5 4 3 4 2 4 2 2 1 2 2 2 1 2 3 7 14 100 88 25 4 2 1 2 2 1 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 t 1H J 9 | 74 73 m 5H | 52 52 s 2H | 49 48 d 2H J 10 | 42 41 d 2H J 37 | 33 32 dt 2H J 40 46 | 29 29 p 1H J 38 | 29 28 t 2H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1csc(CO)c1
ir: 1 1 1 1 2 6 7 2 1 1 2 1 0 1 1 1 1 2 2 1 0 1 2 0 0 11 17 4 2 1 1 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 3 1 1 1 1 1 1 2 1 1 2 2 1 1 7 4 2 2 2 4 7 2 12 24 26 5 5 8 4 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 14 10 2 1 1 2 3 2 1 1 2 4 1 2 3 2 1 1 1 1 1 1 2 19 21 2 1 1 0 1 1 0 1 1 1 0 8 12 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 4 6 3 3 3 3 2 3 1 5 11 22 6 5 1 8 100 37 6 2 1 3 3 3 1 2 2 1 1 3 3 4 3 3 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 d 1H J 16 | 74 74 dt 1H J 9 17 | 47 47 dd 2H J 9 53 | 40 40 t 1H J 52 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(Cc2c(C(N)=O)nc3n2C2CC(C2)c2cc(F)c(Br)cc2-3)CC1
ir: 0 2 5 1 1 1 1 3 2 2 3 9 2 2 2 2 2 2 2 4 13 7 13 11 27 19 7 4 7 3 2 1 2 2 2 1 1 2 6 2 2 2 8 2 7 5 2 4 3 2 1 1 1 5 2 2 2 3 3 2 2 14 2 2 4 7 9 9 6 2 1 2 2 3 5 5 2 4 7 31 6 11 3 2 7 2 1 1 2 3 3 2 3 2 2 3 3 6 10 7 8 6 2 4 4 5 7 2 2 1 1 2 2 2 1 2 2 4 3 2 2 2 3 3 4 2 2 3 2 2 3 5 3 17 7 2 1 1 3 2 8 1 2 2 1 1 1 1 2 1 12 2 12 6 6 3 2 1 88 5 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 2 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 2 2 2 2 4 3 2 3 4 4 3 2 13 54 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 53 4 1 1 2 1 1 1 1 1 1 2 6 100 29 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: 78 78 d 1H J 47 | 71 71 s 2H | 71 70 dd 1H J 6 121 | 44 44 p 1H J 47 | 40 39 s 2H | 34 33 pd 1H J 7 49 | 27 27 m 4H | 26 26 m 4H | 25 24 dt 2H J 48 113 | 24 23 s 3H | 22 21 dt 2H J 48 114
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2cn(-c3nccc(-c4ccc(Cl)cc4)n3)cn2)cn1
ir: 1 3 4 7 10 8 3 2 1 3 3 1 1 2 3 1 4 8 6 5 4 2 2 2 3 2 2 2 2 3 5 3 8 7 9 5 7 2 2 1 1 2 2 3 2 2 2 1 2 3 20 23 16 13 18 37 3 10 5 1 3 4 8 1 2 3 2 4 16 24 7 2 2 3 1 2 6 11 9 26 18 4 2 1 5 7 11 6 4 6 2 1 6 10 12 9 16 12 26 8 5 3 4 26 3 12 1 2 3 2 1 6 15 4 8 4 5 3 4 4 3 3 3 5 6 2 1 2 2 1 1 10 6 2 2 3 2 3 4 2 3 4 9 37 5 4 7 3 5 2 4 5 43 6 2 3 2 10 27 8 5 0 2 12 2 1 3 6 2 1 3 3 1 0 6 8 4 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 2 2 1 2 2 2 2 2 3 2 3 2 2 4 7 6 1 27 100 71 40 17 2 7 5 3 1 3 3 1 0 2 3 1 1 3 15 12 2 2 2 1 1 2 3 1 1 5 46 52 11 5 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 87 d 1H J 19 | 87 87 d 1H J 16 | 84 84 d 1H J 37 | 84 83 d 1H J 16 | 82 82 dd 1H J 19 83 | 77 77 d 1H J 37 | 76 76 m 2H | 74 73 m 2H | 67 67 d 1H J 84 | 53 53 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc2c(cc1F)NCCO2
ir: 50 26 2 8 16 11 28 24 25 9 10 17 13 6 2 9 13 13 5 12 15 5 3 10 12 5 3 11 11 3 5 18 18 6 6 12 18 5 6 14 29 20 7 13 10 4 6 12 8 3 9 20 9 0 7 14 7 0 7 13 7 1 8 18 21 24 20 29 29 30 17 13 5 2 9 11 5 2 9 11 5 5 11 10 5 3 10 10 3 4 12 14 5 6 11 9 15 8 11 9 5 8 28 28 3 6 12 8 1 6 14 12 3 7 14 7 1 8 12 15 45 56 21 9 2 8 13 6 2 9 12 5 3 9 11 5 4 10 10 71 67 27 16 4 5 11 11 5 6 12 10 8 100 20 8 3 5 11 8 2 6 13 13 2 6 12 7 1 6 12 7 1 7 12 7 1 7 12 6 1 7 11 13 4 8 11 5 2 8 10 5 3 9 10 4 3 9 10 4 4 9 9 4 4 10 9 3 4 10 8 3 5 10 8 2 5 11 7 2 6 11 7 2 6 12 7 1 6 12 6 1 7 12 6 2 7 11 6 2 7 11 5 2 8 10 5 3 8 10 5 3 9 10 4 4 9 9 4 4 10 9 4 4 10 9 3 5 10 8 4 5 11 8 4 7 13 9 3 6 11 7 2 7 19 18 6 10 49 54 4 7 11 6 2 7 10 6 3 8 10 6 3 8 13 13 12 15 14 9 6 13 30 45 31 19 12 6 7 11 9 4 5 9 8 4 6 10 8 4 6 10 7 3 6 10 7 3 6 11 7 2 6 11 6 2 7 10 6 3 7 10 6 3 7 10 6 4 7 9 5 4 8 9 5 4 8 9 5 4 8 9 5 5 9 8 4 5 9 8 4 5 9 8 4 5 9 7 3 6 10 7 3 6 10 7 3 6 10 7 3; 1HNMR: 71 71 d 1H J 43 | 67 66 d 1H J 122 | 56 56 t 1H J 40 | 43 43 m 2H | 36 35 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)CC(C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
ir: 1 1 2 1 3 1 5 3 3 3 2 5 3 7 27 3 11 10 3 1 1 0 0 1 0 0 0 1 6 3 2 1 13 4 3 2 1 5 6 7 14 11 2 0 1 2 8 16 3 4 3 1 1 1 2 3 16 1 2 2 1 1 2 1 0 0 1 1 6 17 3 11 3 1 2 2 1 3 1 3 1 1 1 1 2 3 17 7 2 0 1 0 0 0 1 3 7 2 5 7 2 11 3 2 1 3 9 13 16 5 4 2 3 3 4 24 2 6 13 8 4 7 1 6 7 20 3 7 24 5 2 1 1 2 1 1 2 2 7 16 9 12 2 2 3 10 24 9 31 7 2 4 2 2 6 2 0 1 1 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 1 1 1 1 4 1 4 6 8 6 8 4 10 7 28 100 20 6 4 5 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 75 74 m 2H | 74 73 m 5H | 44 43 m 1H | 37 36 s 2H | 27 26 h 1H J 76 | 23 22 dt 1H J 82 141 | 21 20 dt 1H J 82 141 | 12 11 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2cc1C(N)=O
ir: 5 11 17 10 19 6 5 3 3 4 5 5 7 15 10 12 8 5 8 8 5 7 9 20 4 8 10 33 34 16 13 8 10 14 6 1 6 9 5 10 35 8 54 61 9 8 11 27 11 6 4 2 2 4 3 1 4 3 2 0 3 4 5 4 4 3 14 33 15 8 6 3 7 9 5 10 6 5 14 6 21 7 2 2 6 10 9 5 3 8 2 2 3 4 2 3 4 3 14 6 5 4 6 16 30 12 6 7 8 3 1 2 3 2 9 3 4 3 2 3 7 4 3 7 5 3 4 5 6 3 2 4 7 2 2 9 12 3 2 3 3 2 7 11 14 6 4 4 3 1 2 7 34 35 5 4 5 6 39 20 50 14 4 3 3 21 4 4 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 2 0 1 4 5 4 3 4 3 2 2 6 4 6 22 11 6 100 22 23 9 6 3 3 3 1 3 2 1 2 2 2 3 4 2 27 3 2 4 4 4 6 15 17 31 9 5 7 74 8 6 5 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2; 1HNMR: 87 87 m 2H | 73 72 m 6H | 72 71 m 2H | 62 62 d 1H J 23 | 39 39 s 2H | 37 36 ddd 2H J 54 81 117 | 35 34 ddd 2H J 55 82 117 | 27 26 dt 2H J 9 70 | 22 21 ddt 2H J 56 82 124 | 20 19 m 1H | 19 18 ddt 2H J 55 82 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)nc(SCc2cncn2C2CCCCC2)n1
ir: 5 7 7 3 5 3 3 2 2 1 7 2 2 1 1 11 3 15 5 6 3 4 9 3 1 1 2 3 2 2 1 1 2 3 23 10 4 2 1 2 2 7 5 4 3 1 4 8 3 3 1 3 2 4 7 7 2 1 2 1 1 3 1 1 1 2 7 2 3 13 9 3 1 1 2 2 2 1 1 1 1 1 3 5 6 21 9 17 11 18 6 2 2 1 2 1 11 11 9 7 5 6 12 37 28 25 8 7 11 10 15 15 6 8 3 8 5 11 9 11 5 5 6 6 16 4 4 4 2 2 4 4 5 2 1 1 3 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 1 2 1 1 1 1 1 0 2 4 43 7 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 5 2 2 2 10 12 8 5 3 5 4 6 6 7 100 10 11 4 11 63 13 4 2 2 3 5 31 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 1H | 67 66 dt 1H J 8 16 | 59 58 s 1H | 47 46 d 2H J 10 | 42 41 m 1H | 24 23 s 2H | 20 19 ddt 2H J 43 70 125 | 18 16 m 4H | 16 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
ir: 2 2 2 6 4 4 3 4 4 2 2 3 3 2 4 5 4 10 1 5 5 15 62 16 3 3 4 8 3 2 2 2 3 3 4 6 4 3 2 2 2 5 3 2 2 2 2 3 2 2 2 2 2 3 11 5 2 1 2 2 2 2 2 2 2 2 2 2 10 3 3 2 2 2 2 5 28 10 7 12 12 8 4 3 2 2 3 6 3 2 2 7 2 2 2 2 5 5 5 4 2 2 2 2 4 3 24 11 0 1 3 2 0 3 3 4 5 3 3 2 2 3 3 2 2 5 4 2 2 3 3 2 2 2 2 2 3 2 2 2 11 2 3 3 11 7 5 3 5 2 2 2 2 3 2 6 9 4 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 4 3 3 6 8 7 1 2 4 2 0 3 6 11 100 1 0 2 2 1 2 2 2 2 2 2 2 2 3 7 11 15 9 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 94 94 s 1H | 81 80 d 1H J 15 | 79 79 dd 1H J 15 73 | 72 72 d 1H J 75 | 38 38 s 2H | 31 31 m 2H | 27 27 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(NC(=O)Nc2c(C)cccc2C)c(C(=O)NC(C(=O)O)c2ccccc2)cc1OC
ir: 1 0 1 0 0 1 0 2 1 0 2 2 1 3 3 10 9 2 5 14 12 14 3 5 3 6 1 8 3 2 5 8 5 2 1 3 4 2 3 2 9 3 3 2 4 4 5 28 22 9 3 3 1 1 1 1 1 1 2 2 1 0 0 1 1 1 2 3 6 7 3 1 1 1 1 4 2 4 12 9 4 3 2 2 3 1 0 2 1 3 1 3 2 1 1 1 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 3 2 1 1 2 1 2 1 5 5 4 3 2 3 1 1 2 1 0 1 0 1 1 2 6 2 3 7 3 6 2 11 8 7 6 15 5 5 5 3 9 2 2 2 17 3 4 7 2 0 0 0 0 0 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 1 3 4 4 19 29 6 2 1 1 1 1 1 16 100 8 7 1 0 1 1 1 1 3 2 2 3 7 21 33 14 9 2 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H | 89 89 s 1H | 83 83 d 1H J 86 | 80 80 s 1H | 77 76 s 1H | 74 74 m 2H | 74 73 m 5H | 70 70 m 2H | 70 69 dd 1H J 68 85 | 54 54 dd 1H J 9 86 | 39 39 s 3H | 39 39 s 3H | 22 22 d 6H J 5
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2c(N)nc3cnccc3c2n1CC(C)C
ir: 2 5 6 4 5 7 13 5 4 4 7 6 5 5 7 15 7 8 7 7 10 6 8 8 8 6 7 11 25 15 7 10 15 6 7 9 10 12 12 4 13 12 12 6 6 5 5 3 4 6 10 5 5 6 4 4 5 6 7 5 6 14 11 3 5 6 5 4 11 50 41 6 16 15 9 15 12 10 6 8 11 11 10 13 12 11 5 22 19 8 4 11 4 5 4 8 9 6 5 4 6 5 4 10 8 6 7 11 16 29 37 75 17 5 5 10 9 8 13 71 36 30 23 17 11 17 10 8 13 24 41 11 13 5 8 9 9 5 4 4 3 6 5 35 14 5 4 4 4 2 3 4 4 4 18 23 48 6 5 4 5 3 6 4 3 1 3 5 3 26 48 0 3 4 3 3 3 3 3 7 5 3 3 3 2 3 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 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 4 3 3 3 3 4 4 6 9 9 8 13 12 14 21 11 13 14 14 14 25 80 92 44 39 100 44 32 10 10 6 6 6 3 6 5 4 2 4 5 33 44 7 3 4 4 6 37 60 5 6 6 3 3 3 4 3 4 3 4 4 3 4 5 5 5 4 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 92 91 d 1H J 17 | 87 87 dd 1H J 14 45 | 80 80 d 1H J 44 | 65 65 s 2H | 41 40 d 2H J 59 | 27 26 t 2H J 70 | 21 20 m 1H | 17 16 p 2H J 68 | 15 14 m 2H | 10 9 t 3H J 72 | 8 8 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(C3=CC(CO)C3)cc2c1=O
ir: 1 3 2 3 2 1 3 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 1 2 1 3 3 2 3 9 3 2 3 3 6 4 2 4 4 5 3 8 3 1 3 3 7 17 6 3 2 1 4 1 2 13 3 2 1 0 1 2 0 3 2 1 1 4 2 1 4 3 2 1 1 2 1 3 3 7 2 2 1 3 9 18 4 3 6 1 5 3 1 1 1 2 0 1 1 0 2 1 1 0 1 0 0 3 1 0 0 1 2 3 10 6 3 3 0 3 1 3 6 5 1 2 1 2 1 9 1 4 12 1 1 1 0 1 2 23 5 3 2 14 2 6 17 10 5 3 1 7 4 6 7 2 2 100 2 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 1 1 2 1 1 1 3 1 4 5 11 15 5 4 2 0 1 1 0 5 1 0 0 0 0 0 0 0 1 1 1 1 2 4 3 33 11 4 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 21 | 76 75 m 2H | 75 75 d 1H J 88 | 74 73 m 3H | 70 70 d 1H J 82 | 61 61 dp 1H J 9 68 | 47 46 s 2H | 39 38 m 2H | 36 35 dddd 1H J 9 40 53 107 | 30 29 ddd 1H J 9 52 141 | 28 27 ddd 1H J 9 51 141 | 27 26 dddd 1H J 26 39 51 79 | 16 16 t 1H J 55 | 11 10 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
ir: 2 2 2 2 1 1 2 2 1 1 1 2 2 1 2 1 2 2 2 2 1 2 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 7 4 3 2 1 2 3 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 6 6 3 2 2 1 2 2 2 2 1 1 1 1 1 1 1 2 2 2 3 3 5 7 4 3 2 2 1 1 2 1 2 1 1 1 2 1 1 2 2 0 0 4 100 6 3 0 0 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 2 2 2 2 5 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 62 62 dd 1H J 7 46 | 53 52 m 1H | 51 50 m 2H | 46 45 dd 1H J 54 122 | 44 44 dd 1H J 54 122 | 43 43 m 1H | 21 21 d 6H J 37 | 21 20 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(-c2ccc3c(c2)[C@H](N)[C@@H](C)[C@H](C2CC2)N3C(C)=O)cn1
ir: 1 3 2 4 2 2 2 2 3 4 4 3 3 2 2 2 1 2 3 1 1 3 3 6 4 2 3 3 2 3 2 2 2 2 2 1 3 2 2 1 2 4 3 4 2 4 2 1 2 2 2 5 4 6 6 9 9 16 10 5 5 3 7 16 8 12 14 3 5 9 8 6 13 8 12 3 5 4 4 4 5 4 4 2 2 3 9 5 2 3 3 4 3 2 3 1 2 2 3 2 2 2 3 2 3 3 2 2 2 7 3 3 3 3 3 4 4 7 3 5 4 6 7 6 3 4 10 8 9 5 11 18 29 20 5 8 3 2 1 2 2 1 1 2 2 1 1 5 23 24 6 5 4 3 4 5 3 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 1 1 1 1 1 1 1 1 2 3 1 2 1 3 2 3 2 4 2 2 4 6 5 6 2 9 14 22 6 11 10 9 2 2 2 2 1 4 5 4 5 19 10 2 3 5 7 10 100 74 2 5 6 0 0 3 2 0 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H | 78 78 d 1H J 10 | 76 76 dd 1H J 21 85 | 76 75 dd 1H J 7 21 | 75 74 d 1H J 85 | 41 40 m 2H | 40 39 qd 2H J 9 50 | 23 23 s 2H | 23 22 m 2H | 22 21 m 1H | 16 15 dtt 1H J 54 63 70 | 14 13 t 3H J 50 | 13 12 m 2H | 10 10 d 3H J 77 | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(OC)c2nc(NC(=O)OC)sc12
ir: 3 6 6 8 2 2 3 2 3 5 6 5 2 2 3 10 6 5 2 1 1 1 1 1 2 2 0 1 5 0 0 1 1 2 3 1 1 2 4 5 3 3 3 5 15 17 17 6 2 3 2 1 1 1 15 25 4 1 1 2 1 2 1 1 4 24 3 2 2 5 7 11 2 2 1 1 3 1 1 1 1 1 2 2 3 1 0 1 0 0 0 1 1 0 1 0 0 5 3 5 9 1 0 1 1 1 1 1 2 1 0 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 5 1 0 14 3 1 1 1 2 7 3 2 1 2 6 24 5 2 10 52 4 100 36 2 2 2 2 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 1 8 3 3 5 8 7 7 35 8 3 6 5 2 4 2 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 3 34 6 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; 1HNMR: 97 97 s 1H | 74 73 d 1H J 95 | 71 70 m 2H | 57 57 dd 1H J 24 157 | 56 55 dd 1H J 24 103 | 40 39 s 3H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCCCCCCCCCCC1OC[C@@H](O)[C@@H](O)[C@H]1O
ir: 4 1 2 1 1 1 1 1 3 3 1 2 1 1 0 0 1 1 3 3 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 1 1 1 0 1 0 1 1 0 3 1 3 5 3 4 12 3 2 1 1 1 1 1 1 1 2 5 6 1 1 1 0 1 2 1 2 1 1 4 1 0 1 2 7 10 3 10 29 3 2 1 1 1 1 1 1 0 0 0 1 2 2 1 1 1 1 1 0 0 0 0 1 0 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 2 6 8 3 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 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 2 1 1 2 1 1 0 0 0 0 1 0 1 2 67 23 100 10 2 2 2 3 9 3 2 2 1 1 2 7 19 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 44 43 d 1H J 60 | 43 43 d 1H J 62 | 39 38 m 4H | 38 37 dt 1H J 48 75 | 36 35 m 2H | 27 26 tt 2H J 53 66 | 19 18 tt 2H J 52 74 | 17 16 m 1H | 16 15 m 2H | 15 12 m 9H | 13 12 s 2H | 13 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(C)I
ir: 19 5 10 7 3 5 2 3 2 2 1 2 2 1 1 1 1 1 1 2 6 15 13 2 3 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 0 2 2 2 2 2 3 1 1 1 2 1 1 1 3 3 3 2 2 1 1 3 8 15 3 4 20 9 9 4 2 2 1 5 5 4 1 2 2 1 1 1 1 1 2 1 2 2 2 5 6 5 4 4 3 7 4 2 9 36 12 7 6 6 4 4 12 12 12 8 3 6 2 2 2 2 12 7 4 11 7 6 4 4 12 11 10 4 6 8 6 8 9 5 2 2 4 2 3 4 8 29 62 100 32 15 5 6 2 2 2 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 0 1 1 1 2 2 2 2 3 4 6 6 2 7 7 22 8 6 27 26 6 4 2 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 45 44 h 1H J 66 | 37 36 s 2H | 31 30 dd 1H J 69 151 | 29 28 dd 1H J 69 151 | 19 19 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N(C(C)=O)c1nsc2ccc([N+](=O)[O-])cc12
ir: 13 4 7 8 9 6 6 4 5 4 3 5 5 17 24 40 3 5 6 41 12 1 4 12 4 3 6 7 6 2 3 2 2 5 42 15 23 4 2 20 38 6 3 5 4 1 1 3 3 1 2 3 3 8 46 12 6 0 1 2 2 1 2 2 2 1 2 5 8 7 16 71 49 56 11 8 2 1 4 3 1 1 5 5 1 1 2 3 18 2 2 2 1 4 16 4 1 1 3 2 0 2 6 2 0 1 3 2 3 8 3 2 1 2 7 5 1 3 5 6 8 10 8 23 12 48 5 1 1 10 14 10 67 66 4 36 3 2 3 1 1 5 59 3 1 6 53 100 18 41 5 8 38 40 7 1 2 3 2 4 31 4 2 2 1 3 2 0 2 3 2 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 7 3 2 1 1 2 2 1 2 2 3 4 24 27 33 19 24 66 17 6 2 5 6 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 89 89 d 1H J 20 | 84 83 m 2H | 23 23 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c2c(c(O)c3c(O)c(C=O)c(C)cc13)C(=O)CCC2
ir: 5 7 7 3 0 4 6 3 0 3 4 3 1 5 7 2 4 7 6 6 11 9 7 9 12 12 6 17 12 6 5 4 7 12 22 8 14 33 38 23 26 70 86 27 26 38 16 2 5 8 9 9 10 7 14 18 4 6 6 7 5 6 3 2 7 9 4 3 8 8 7 5 10 8 5 2 4 4 4 3 3 3 3 4 22 28 9 3 7 19 16 16 31 30 26 13 10 9 2 3 8 7 35 54 54 75 49 5 6 7 11 6 11 7 9 8 8 7 4 5 5 3 1 4 5 5 5 9 10 5 4 5 6 5 10 8 5 2 1 4 14 14 2 3 9 20 17 4 3 1 2 4 3 1 4 7 7 8 3 5 8 1 2 4 2 1 2 63 5 1 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 5 4 2 3 4 3 1 2 4 2 1 3 4 2 1 3 3 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 2 2 4 4 2 2 5 3 3 5 6 4 2 4 5 7 8 8 8 13 16 18 29 100 51 13 11 19 15 6 6 3 3 3 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 2 2 3 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 76 76 s 1H | 39 39 s 3H | 33 32 m 3H | 29 28 m 3H | 25 24 s 4H | 21 20 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1CN2CCC1CC2)Oc1c(F)c(F)c(C(=O)O)c(F)c1F
ir: 3 3 3 2 3 2 6 6 2 2 3 1 1 8 7 16 18 13 12 15 7 46 45 20 8 12 10 9 11 7 4 5 3 4 10 10 2 1 1 2 1 2 7 6 5 10 23 11 4 3 2 7 4 2 4 3 2 2 1 2 2 1 1 1 1 1 1 1 2 1 4 2 1 2 4 6 3 8 37 45 20 48 68 3 3 3 1 1 2 1 1 1 3 3 1 2 9 11 14 9 4 3 3 7 9 4 5 4 12 10 4 2 2 6 21 16 4 3 3 10 2 5 2 4 4 9 5 6 12 2 2 5 7 1 2 1 4 3 2 4 4 7 22 9 34 11 42 5 3 1 1 2 1 0 5 8 34 4 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 1 1 1 1 2 5 3 5 2 4 2 4 5 6 2 13 6 1 1 1 1 1 1 1 2 2 4 100 12 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 30 29 m 3H | 28 28 ddd 2H J 46 73 118 | 28 27 dd 1H J 69 163 | 27 26 dd 1H J 38 113 | 25 25 dd 1H J 69 163 | 21 19 m 2H | 18 17 ddt 2H J 45 73 119 | 16 15 ddt 2H J 45 73 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1OCC(=O)[C@H]1N
ir: 2 15 13 3 2 2 2 2 1 1 2 1 0 2 1 1 4 13 11 2 3 1 2 1 2 4 5 4 4 2 1 1 1 1 1 1 3 4 3 0 1 2 2 1 1 2 5 7 15 15 17 8 3 7 3 3 7 6 7 6 6 16 33 49 5 30 80 16 13 13 27 27 42 99 81 25 11 9 3 6 21 32 13 4 2 2 2 2 2 3 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 3 5 6 7 6 4 1 3 1 2 4 6 18 11 8 11 3 8 30 11 31 23 8 3 19 6 20 11 33 38 36 17 2 2 3 3 1 28 29 14 4 2 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 2 2 2 3 3 6 6 9 10 2 11 18 15 2 2 1 0 1 1 1 1 1 1 1 1 2 4 4 18 79 100 31 19 5 3 6 14 25 3 2 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 42 41 dtd 1H J 15 35 62 | 42 41 d 1H J 146 | 41 40 dt 1H J 18 146 | 37 36 m 2H | 37 37 s 1H | 13 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Cc1ccncc1)NC(=O)CCl
ir: 8 7 6 8 8 7 9 8 9 7 6 7 8 10 9 7 8 7 7 8 8 6 8 9 11 7 7 8 8 8 8 14 21 10 8 9 8 6 7 8 8 8 7 10 10 9 11 9 9 7 7 8 7 7 7 8 7 6 7 8 7 6 8 9 8 7 7 8 7 6 7 8 8 10 9 8 7 7 7 7 6 6 7 7 6 7 8 8 8 9 8 8 6 6 8 8 6 7 9 8 6 7 8 7 6 7 8 7 6 7 16 13 6 7 8 7 6 7 9 8 7 12 12 7 6 7 8 7 6 8 9 7 6 7 8 6 6 8 8 6 5 10 12 0 37 100 14 24 16 7 7 8 7 7 7 7 7 7 8 9 11 8 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 7 7 8 7 7 7 8 8 7 7 7 7 7 8 10 10 8 9 11 10 8 9 8 7 6 7 8 7 7 7 8 7 6 7 8 7 7 8 10 7 14 14 20 14 9 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 7 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6; 1HNMR: 86 85 m 2H | 71 71 dt 2H J 9 41 | 66 66 s 1H | 40 40 s 2H | 29 29 t 2H J 9 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OCCBr)cc1
ir: 2 1 0 1 1 1 1 1 1 1 2 1 3 1 1 1 2 1 0 1 1 1 0 1 1 2 2 2 4 1 0 2 2 3 3 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 2 28 7 10 16 8 3 3 3 4 7 7 6 5 4 6 4 10 5 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 5 5 3 5 3 3 0 1 1 1 1 1 4 3 1 1 1 2 1 4 6 3 0 1 1 1 0 2 2 3 3 2 3 1 1 1 2 2 1 2 2 2 2 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 3 18 100 8 6 9 8 8 6 3 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 2 1 0 1 3 2 1 1 2 3 1 7 6 27 10 36 30 30 21 8 3 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 69 68 d 4H J 12 | 44 43 t 2H J 35 | 38 38 s 2H | 38 37 t 2H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CNCCc1cc2cc(Br)cc(Cl)c2o1)OC
ir: 4 7 8 9 5 7 10 10 7 14 10 5 5 7 7 6 5 8 9 6 6 8 7 6 4 6 7 5 5 6 6 4 5 6 7 6 20 10 9 13 11 12 11 16 30 33 19 4 12 16 13 7 17 35 9 14 8 10 9 7 9 17 14 34 66 29 46 18 19 11 7 12 9 7 6 5 7 7 5 12 10 11 19 6 8 24 6 5 6 6 5 5 6 6 7 6 9 11 9 40 5 5 6 6 8 6 6 6 11 10 6 8 11 26 100 84 72 35 0 15 18 8 6 10 11 11 4 7 9 7 10 18 19 15 15 11 11 8 5 6 6 4 4 6 6 5 9 7 7 7 7 6 6 4 7 6 6 4 5 6 7 11 5 6 5 4 5 6 5 4 5 7 5 4 5 7 5 4 6 7 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 4 4 6 6 4 4 6 6 4 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 7 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 4 4 6 6 4 4 6 6 4 5 6 5 4 5 6 6 5 6 7 7 8 7 7 6 5 5 7 6 14 18 12 9 39 28 18 20 6 7 12 6 4 6 7 5 4 6 7 6 5 8 16 36 79 45 14 8 5 6 6 5 5 6 6 5 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6; 1HNMR: 77 77 t 1H J 22 | 77 77 d 1H J 22 | 66 66 dt 1H J 9 20 | 45 44 tp 1H J 15 31 | 44 43 p 1H J 62 | 34 34 d 6H J 16 | 31 30 q 2H J 58 | 29 29 dd 2H J 34 61 | 28 28 td 2H J 8 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)c1cccnc1N1CCN(Cc2cccc(-c3ccccc3C(F)(F)F)c2)CC1
ir: 3 1 2 2 3 3 1 0 1 3 2 5 2 5 3 2 1 3 1 1 0 1 1 0 0 1 1 0 3 7 3 2 4 1 1 1 3 5 13 13 7 9 14 11 3 1 3 3 6 0 0 2 1 1 0 0 1 0 1 2 4 2 2 3 3 3 1 1 2 3 1 1 1 2 6 7 6 7 5 5 9 13 11 40 6 3 2 4 3 1 6 0 1 1 1 1 2 5 5 18 15 5 1 3 40 4 3 4 2 1 4 2 2 2 1 1 3 5 2 4 1 3 0 1 8 4 2 2 2 2 1 2 3 4 0 3 6 12 3 19 8 2 3 1 8 3 2 18 33 2 2 4 1 2 8 37 1 2 5 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 2 3 9 3 6 100 23 11 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; 1HNMR: 84 84 dd 1H J 21 47 | 79 79 m 2H | 77 76 ddd 1H J 12 66 104 | 76 75 m 2H | 75 75 ddd 1H J 13 20 77 | 75 74 m 2H | 74 73 ddq 1H J 10 22 79 | 70 70 dd 1H J 48 82 | 50 49 hept 1H J 58 | 38 38 t 4H J 53 | 36 36 t 2H J 9 | 31 30 dt 2H J 54 113 | 29 28 dt 2H J 53 113 | 14 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccn1)N(Cc1ccccc1)c1ccccc1
ir: 2 9 9 4 1 5 3 3 2 3 3 2 3 3 2 1 1 1 2 2 4 5 2 1 1 2 3 2 1 4 4 9 20 18 10 3 5 6 21 28 5 6 15 8 2 2 3 1 1 2 2 0 4 4 3 4 5 4 4 1 2 2 1 2 3 2 2 5 8 8 6 2 2 2 1 1 3 3 6 4 2 6 4 4 3 1 1 1 4 11 1 1 2 2 0 1 2 2 3 2 2 2 0 1 2 1 1 1 2 1 1 2 4 2 0 1 2 1 1 6 11 6 1 2 3 4 4 3 4 2 2 7 5 14 10 14 16 5 5 2 2 2 11 17 10 3 3 3 4 6 31 25 6 2 3 4 12 22 4 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 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 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 2 2 2 2 1 2 2 3 3 9 17 30 100 62 5 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 16 41 | 78 77 td 1H J 17 74 | 74 74 m 3H | 74 73 ddd 1H J 14 41 73 | 73 72 m 7H | 71 71 m 1H | 53 53 d 2H J 7 | 53 52 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(C)C
ir: 0 1 1 1 1 1 1 5 2 0 1 5 1 6 1 1 1 2 0 2 1 0 1 1 1 0 0 0 0 0 1 1 1 3 1 0 0 0 0 0 4 5 0 1 0 0 1 2 3 1 1 4 4 5 7 23 27 3 5 0 1 1 3 0 1 1 1 1 3 4 0 1 0 0 7 2 1 1 1 1 0 0 0 0 0 0 1 1 2 2 1 0 1 2 2 4 7 1 10 5 1 2 2 1 3 2 1 0 1 1 1 2 2 2 2 2 2 1 2 3 1 6 8 5 1 1 1 1 0 2 2 2 3 2 1 1 0 0 0 1 1 1 1 1 1 5 49 11 13 5 1 1 5 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 3 3 1 8 4 14 100 20 1 1 2 2 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 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 4H | 71 71 m 4H | 47 46 dd 1H J 10 103 | 42 41 m 2H | 29 29 ddq 1H J 15 29 103 | 13 12 t 3H J 63 | 10 10 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCN(C(=O)NCCCl)C1OC[C@H](O)[C@H](O)[C@H]1O
ir: 7 4 4 4 11 12 23 8 10 6 8 3 1 4 5 5 1 2 2 2 5 4 5 1 2 1 1 1 2 1 4 2 2 2 1 2 3 1 3 4 9 6 9 7 2 3 2 2 3 2 3 2 2 3 1 1 2 1 1 2 1 2 5 1 3 4 4 2 1 3 1 1 3 2 2 2 10 2 3 1 2 5 3 1 1 3 5 7 35 46 7 4 3 3 4 1 1 1 1 1 1 2 2 3 3 3 3 2 2 2 1 1 1 2 3 2 2 2 2 2 3 2 1 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 19 10 7 2 4 23 3 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 0 1 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 2 4 3 1 1 1 1 0 1 2 1 1 8 100 29 6 1 0 1 2 1 1 2 2 2 2 3 5 6 7 4 7 7 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 73 72 t 1H J 53 | 52 52 d 1H J 74 | 50 50 d 1H J 70 | 44 44 d 1H J 63 | 43 43 d 1H J 60 | 40 39 dtd 1H J 38 71 97 | 39 38 dd 1H J 57 113 | 38 38 m 1H | 37 36 m 6H | 34 34 t 2H J 63 | 34 33 dt 1H J 70 132 | 33 33 s 3H | 31 31 dt 1H J 70 132 | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(S(=O)(=O)CCc2ccccc2)cc1
ir: 11 11 7 21 5 5 14 7 7 16 25 34 26 15 10 19 6 6 6 3 9 18 7 1 3 7 5 5 6 11 12 4 3 4 3 1 4 17 23 45 29 35 7 14 4 4 3 3 4 3 3 16 2 4 7 18 4 3 2 1 1 3 4 5 10 7 38 5 2 8 4 4 2 2 6 3 3 4 3 1 2 1 8 9 11 70 100 6 12 20 27 50 31 20 12 15 16 35 18 23 72 62 15 5 3 14 15 23 16 32 15 7 7 6 4 3 3 2 6 4 11 17 5 7 16 18 7 7 6 13 9 23 13 4 2 15 3 4 2 2 3 3 10 14 7 6 8 5 9 11 5 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 1 1 3 6 14 22 8 12 4 5 9 4 2 13 54 21 28 61 19 8 10 1 2 2 2 1 1 1 1 0 0 0 1 1 1 1 1 1 1 2 8 11 4 4 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 75 75 m 3H | 73 72 m 5H | 72 71 d 1H J 44 | 37 36 m 1H | 36 35 t 2H J 99 | 29 29 t 2H J 99 | 22 21 ddd 1H J 69 76 146 | 20 19 ddd 1H J 70 77 146 | 18 17 m 1H | 17 15 m 4H | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C#N)=NOCF
ir: 8 6 2 14 20 6 7 12 15 5 33 24 18 12 3 9 6 11 3 5 4 1 1 2 2 1 1 2 2 1 1 2 1 1 1 4 2 1 1 2 2 3 3 2 3 0 1 2 1 1 3 9 6 2 2 2 3 2 4 5 3 2 3 5 6 24 8 35 26 9 3 5 4 5 8 6 1 3 14 14 25 15 5 7 4 4 6 4 2 11 15 14 4 2 5 3 2 3 3 2 1 1 2 1 1 1 2 1 0 1 3 1 3 2 6 5 3 4 6 5 5 7 11 4 2 7 9 3 1 15 18 100 61 6 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 2 2 3 2 2 3 4 1 2 2 2 2 2 3 3 7 6 4 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 63 62 s 1H | 62 61 s 1H | 44 43 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(C)c(I)c4)cn3)CC2)cc1
ir: 1 7 12 21 5 11 13 4 3 5 11 3 2 8 6 8 22 6 3 4 6 5 8 11 21 22 8 5 4 8 5 8 7 17 5 4 7 5 6 12 36 71 10 13 17 13 7 6 12 8 8 7 45 89 100 52 9 11 21 7 24 14 26 40 33 8 20 24 36 29 24 3 4 4 6 4 10 4 4 3 4 5 41 28 11 13 3 5 8 11 4 8 11 15 11 6 9 6 5 16 17 12 7 31 22 14 11 4 6 9 7 8 16 6 15 5 6 6 12 13 11 8 1 7 7 6 4 5 11 8 3 3 7 5 2 5 4 7 17 24 79 39 9 19 5 7 4 8 8 62 60 19 37 25 37 75 13 5 4 2 3 4 85 16 10 6 2 0 1 3 2 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 2 2 2 1 1 1 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 2 2 1 1 1 2 1 1 2 2 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 5 4 2 3 3 3 5 5 4 1 4 5 6 9 15 9 42 76 71 21 9 5 7 2 2 3 3 4 2 4 4 2 2 1 2 2 2 11 12 5 11 33 84 50 4 2 2 3 3 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 89 89 s 1H | 87 87 d 1H J 19 | 80 80 d 1H J 21 | 79 79 dd 1H J 18 75 | 76 76 dd 1H J 22 77 | 71 71 dq 1H J 9 76 | 70 69 d 1H J 75 | 69 69 m 2H | 69 68 m 2H | 40 39 m 4H | 38 38 s 2H | 31 31 m 4H | 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.
c1ccc(-c2ncc(CN3CCN(c4ncc5ccccc5n4)CC3)[nH]2)cc1
ir: 3 3 4 6 4 4 7 5 2 2 1 2 7 4 3 22 8 12 5 3 1 0 1 1 2 3 1 2 4 5 19 3 5 4 15 2 3 0 5 20 100 23 43 25 40 6 4 1 2 3 3 0 5 6 76 4 24 6 6 4 5 4 4 63 14 7 3 11 5 5 2 0 1 1 15 10 5 4 9 3 26 7 7 18 8 4 4 1 3 2 1 1 2 6 1 2 7 20 26 14 6 5 3 6 8 4 2 39 5 3 1 2 5 9 2 2 1 3 2 1 1 2 6 4 3 4 8 35 10 16 8 10 16 15 34 13 14 12 7 4 45 8 11 24 45 32 84 16 29 17 4 11 13 35 4 4 12 0 1 2 1 1 13 1 1 5 34 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 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 2 1 3 2 1 0 1 2 2 4 16 12 27 57 11 10 6 3 4 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 5 4 2 3 5 15 20 4 14 5 1 2 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 90 90 d 1H J 22 | 84 83 m 2H | 81 80 dd 1H J 11 79 | 80 79 dt 1H J 15 93 | 78 77 td 1H J 12 80 | 76 76 t 1H J 9 | 76 75 m 4H | 39 38 d 2H J 10 | 38 38 m 4H | 32 31 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C)NC[C@@H]1COC[C@H](OC)N1C(=O)OC(C)(C)C
ir: 1 3 4 1 1 1 2 1 1 2 2 2 1 2 1 1 1 2 2 4 1 2 1 1 0 1 1 8 8 0 0 1 1 0 0 1 2 1 1 1 1 0 1 0 2 3 4 6 2 2 1 1 1 1 3 3 1 1 2 1 1 1 2 3 1 0 1 1 1 3 2 2 4 1 1 1 2 1 3 1 4 1 1 1 0 0 1 1 0 0 0 0 0 1 1 1 0 1 1 1 2 3 2 2 2 4 4 2 1 1 1 1 3 1 4 2 1 4 5 4 5 9 1 2 1 2 1 3 3 9 3 4 2 3 3 3 2 2 1 0 0 1 1 1 1 1 7 1 1 1 1 100 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 1 1 1 3 3 1 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 2 10 11 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 51 dtq 1H J 15 28 55 | 40 40 dd 1H J 27 109 | 39 38 m 2H | 38 37 m 1H | 37 36 m 4H | 35 34 dq 1H J 58 79 | 33 33 d 3H J 14 | 32 32 dt 1H J 63 79 | 32 31 dt 1H J 65 127 | 29 28 dt 1H J 65 125 | 15 14 s 8H | 12 12 d 3H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=C(C(=O)N=[N+]=[N-])c2ccc(F)cc2)n(C)n1
ir: 9 10 17 12 9 14 14 9 10 12 10 10 12 8 10 6 9 9 15 10 7 12 15 19 21 8 9 12 6 6 6 5 5 8 18 18 11 11 7 9 6 5 6 7 6 4 5 10 7 4 6 10 8 0 34 59 28 15 9 6 7 8 6 6 6 7 7 7 9 31 15 8 7 7 12 35 61 27 9 7 8 6 6 5 6 6 7 10 8 6 6 6 8 10 6 5 6 5 5 6 7 11 6 5 7 7 7 7 13 37 8 9 7 6 6 6 7 7 7 6 6 8 6 12 23 16 6 8 8 5 5 29 6 8 6 6 6 5 8 18 12 40 20 5 4 8 8 34 12 12 22 39 56 27 16 34 15 7 8 6 7 8 6 6 7 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 12 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 5 5 6 6 6 6 6 6 6 8 9 10 13 11 64 100 39 42 28 17 8 8 6 6 5 5 6 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 5; 1HNMR: 80 79 s 1H | 74 73 m 2H | 71 71 ddt 2H J 17 86 99 | 62 62 d 1H J 7 | 40 40 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.
COc1cc(OC)cc(C(C)(C)CO)c1
ir: 9 8 6 6 8 6 6 9 11 8 7 7 7 6 7 8 9 7 6 7 8 7 6 8 7 7 8 7 8 6 6 8 10 6 6 6 6 5 5 6 6 5 5 6 6 9 8 7 6 5 6 7 7 6 7 8 6 5 6 9 7 6 8 8 17 16 28 46 46 15 14 11 7 6 7 8 6 5 8 6 8 8 16 25 23 27 27 57 31 70 17 6 8 6 7 7 6 6 7 6 5 5 6 6 5 6 6 5 5 8 9 6 5 6 7 6 9 9 10 8 6 8 6 6 6 7 8 9 7 6 6 6 7 7 7 6 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 7 6 5 5 6 7 6 15 31 32 14 9 7 6 6 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 6 5 5 6 6 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 6 5 6 6 5 6 6 6 5 5 7 6 5 5 7 6 5 6 8 6 6 9 14 16 6 11 59 44 10 7 10 6 0 31 100 19 15 6 4 6 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 5 5 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; 1HNMR: 66 66 d 2H J 22 | 64 63 t 1H J 22 | 38 38 s 5H | 37 37 d 2H J 66 | 22 21 t 1H J 66 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(n1)CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
ir: 5 7 8 7 5 3 4 5 3 5 12 9 13 9 7 5 4 4 13 5 11 5 4 6 5 3 3 4 4 4 3 5 6 9 14 41 15 9 12 10 7 14 14 13 10 8 7 9 6 5 4 4 8 42 32 5 5 4 8 6 4 8 5 6 6 13 18 16 22 17 4 2 3 3 3 3 3 4 2 2 3 3 4 4 3 4 10 4 3 5 4 11 10 4 3 3 6 10 8 6 5 4 3 4 2 3 7 19 5 4 6 5 16 7 4 5 4 5 10 10 13 7 9 12 9 18 14 9 20 18 17 10 7 6 7 9 9 9 27 23 13 6 5 4 6 36 34 19 97 6 10 33 64 4 3 7 12 3 9 20 3 5 100 0 3 3 2 2 2 3 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 3 2 3 2 3 4 4 5 3 3 4 4 4 5 5 4 6 5 7 8 27 12 31 35 39 7 8 6 4 3 3 3 3 2 3 3 3 3 3 3 3 3 4 4 3 5 19 24 7 7 5 3 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; 1HNMR: 76 76 m 1H | 74 73 dt 1H J 9 20 | 72 71 dd 1H J 22 121 | 67 66 d 1H J 86 | 58 58 d 1H J 8 | 40 39 m 3H | 39 39 s 3H | 30 30 dt 2H J 10 56 | 30 29 m 2H | 30 29 m 1H | 20 20 t 2H J 56 | 15 14 s 8H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NCC(O)COc1ccc(COCCCOc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1
ir: 3 2 2 4 3 6 1 3 5 8 6 10 7 9 11 9 9 18 3 6 3 4 4 4 5 3 3 7 15 13 7 7 5 3 2 2 2 3 6 7 8 3 9 5 7 10 11 5 11 3 8 4 12 5 18 13 11 10 7 4 4 5 6 10 4 4 7 9 15 13 8 5 20 4 3 2 4 8 5 2 2 3 5 2 4 5 13 18 26 9 10 5 4 3 3 5 10 4 7 2 2 2 2 2 3 6 5 5 9 6 13 7 3 4 4 9 9 8 7 4 4 3 1 8 10 4 6 3 11 4 13 38 7 7 24 13 7 3 2 2 5 4 12 3 4 2 2 2 25 4 5 4 4 6 4 3 4 16 21 0 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 3 2 2 2 3 2 3 2 5 11 7 22 14 18 7 3 1 4 8 76 100 7 0 3 4 1 0 2 3 2 2 13 15 5 5 13 11 24 8 6 5 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 s 1H | 78 77 d 1H J 22 | 76 75 dd 1H J 22 82 | 72 72 dt 2H J 8 85 | 71 70 d 1H J 82 | 69 68 m 2H | 45 45 t 2H J 9 | 45 44 d 1H J 54 | 42 41 t 2H J 66 | 41 39 m 2H | 38 37 dd 1H J 50 126 | 36 35 t 2H J 64 | 31 30 m 1H | 30 30 m 2H | 30 29 ddd 1H J 51 70 130 | 28 27 ddd 1H J 50 70 130 | 26 25 m 2H | 21 20 p 2H J 65 | 16 15 q 1H J 71 | 12 11 dd 6H J 52 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1
ir: 1 1 1 1 2 2 2 1 1 3 5 3 3 2 2 8 1 3 3 2 8 50 32 3 2 1 5 3 4 4 1 1 1 2 1 1 2 1 1 1 2 3 11 8 3 1 1 1 1 0 2 1 1 1 2 3 3 1 1 1 1 2 1 1 1 1 1 1 1 2 3 3 2 1 3 4 16 28 5 2 3 9 4 3 9 2 6 12 6 3 3 5 3 1 2 2 2 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 2 3 2 4 3 1 2 1 2 1 2 2 2 1 2 2 1 3 1 3 5 6 2 1 3 4 0 25 2 1 1 1 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 5 10 5 6 18 12 3 2 3 1 1 2 2 15 100 8 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 7H | 71 70 ddt 1H J 11 22 55 | 39 38 qt 2H J 9 104 | 32 31 tt 1H J 49 60 | 30 29 dd 1H J 8 148 | 29 28 ddd 2H J 39 67 125 | 27 26 m 3H | 22 21 m 4H | 21 20 m 1H | 19 19 m 2H | 19 18 ddd 2H J 40 68 128 | 17 17 m 1H | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCCCCOc1ccc(-c2ccccc2)cc1
ir: 1 1 1 1 2 2 2 1 1 1 2 3 3 3 4 2 2 1 1 1 1 1 1 1 3 2 2 2 3 3 3 4 7 3 2 1 3 3 4 8 52 50 43 10 2 0 1 3 2 3 2 4 6 21 17 17 24 4 3 3 1 2 3 2 2 0 6 3 9 37 50 6 3 2 2 2 2 3 3 1 3 1 2 2 1 1 2 2 1 1 1 1 2 1 3 2 1 2 1 1 1 2 2 2 0 12 5 2 3 5 14 4 5 3 3 4 8 17 24 10 2 3 3 2 1 3 4 4 2 2 2 2 2 7 21 8 12 5 3 2 3 57 100 6 10 21 5 10 15 6 8 12 10 9 3 3 2 2 3 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 6 3 4 4 3 5 5 6 9 12 41 42 88 53 23 15 6 6 10 4 4 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; 1HNMR: 76 76 m 4H | 75 74 m 2H | 74 73 m 1H | 70 70 m 2H | 40 39 t 2H J 63 | 35 34 t 2H J 46 | 18 17 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1cccc2[nH]nc(N)c12
ir: 4 2 2 4 6 3 5 11 7 5 11 11 10 11 8 6 6 8 8 4 50 11 13 16 34 24 33 54 22 14 37 38 81 12 12 43 14 2 14 12 6 5 5 8 10 6 100 23 50 3 6 4 4 2 5 6 3 5 10 6 2 2 5 5 2 3 3 4 5 2 4 4 3 3 4 5 9 7 3 3 4 7 6 5 3 1 4 3 1 1 5 5 6 6 4 3 1 5 44 10 3 8 9 7 6 3 3 3 15 80 12 7 5 5 8 7 34 60 5 7 3 3 3 2 2 6 5 3 1 3 4 8 11 7 3 4 3 4 20 7 10 59 10 4 5 5 48 6 4 72 72 14 16 12 6 1 2 9 30 0 54 22 6 2 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 20 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 2 2 1 2 3 2 1 1 3 2 1 2 5 3 2 4 5 4 2 3 5 3 2 5 7 6 15 24 39 35 2 3 5 3 1 3 5 2 0 3 5 3 1 4 5 4 36 66 9 3 1 6 6 18 68 70 58 6 77 8 2 3 3 2 2 2 2 2 2 2 3 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 74 dd 1H J 12 91 | 73 72 dd 1H J 76 91 | 71 70 dq 1H J 10 76 | 56 56 s 2H | 42 42 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNc1nc(Cl)nc2ccc(NC)cc12
ir: 37 15 11 14 20 80 12 11 8 10 10 10 7 7 9 6 6 7 16 9 6 6 7 5 7 5 8 9 10 19 29 8 7 6 5 5 6 6 6 5 6 5 6 6 5 5 6 6 12 9 7 6 5 5 7 22 47 33 8 6 7 7 9 7 6 7 5 7 11 14 14 5 8 9 5 6 5 6 5 5 5 5 5 6 5 5 5 5 5 7 6 5 6 5 5 5 5 5 6 6 5 6 6 7 12 47 9 5 5 6 6 8 23 5 7 10 10 17 18 11 19 11 9 6 9 6 7 8 6 5 6 5 6 6 8 7 9 20 9 5 31 46 4 9 8 13 82 12 10 0 5 62 100 34 17 6 7 10 13 5 5 7 6 4 5 6 5 4 10 7 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 7 6 5 5 6 5 6 5 5 5 10 6 6 8 9 5 17 19 15 7 11 8 8 6 11 6 6 6 5 6 5 5 8 6 6 6 8 12 14 7 26 29 90 71 54 16 5 6 6 7 7 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 5 5 5 5; 1HNMR: 79 78 d 1H J 83 | 76 76 d 1H J 22 | 70 70 dd 1H J 22 82 | 65 65 q 1H J 48 | 65 64 t 1H J 53 | 60 59 ddt 1H J 58 103 169 | 52 52 m 1H | 52 51 dq 1H J 11 170 | 42 42 tt 2H J 14 57 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@H]1Nc2ccccc2NC1=O
ir: 12 9 9 12 4 3 4 3 5 4 6 6 3 5 3 6 7 3 5 3 7 21 9 4 4 7 1 3 3 3 3 5 5 20 9 16 7 3 4 5 6 6 34 38 4 5 4 0 3 4 2 2 3 3 2 1 2 4 3 1 2 3 2 2 3 3 2 1 2 3 2 1 3 4 7 4 3 3 2 1 2 2 2 6 3 3 1 2 2 2 1 2 2 3 54 6 5 3 3 6 4 10 9 7 4 3 1 4 8 12 4 6 5 2 1 2 4 2 3 4 8 6 4 3 3 2 2 5 4 6 11 26 9 3 3 16 35 3 3 4 4 35 25 36 85 20 3 4 4 5 6 26 22 21 8 100 6 6 4 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 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 2 3 2 1 2 3 3 1 3 3 2 2 3 3 4 3 7 12 7 28 18 6 3 1 3 3 2 1 7 9 5 1 3 3 1 0 3 8 9 11 20 17 40 73 64 88 16 10 11 5 4 2 2 3 3 2 2 2 2 2 3 2 2 2 2 1 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 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; 1HNMR: 84 84 s 1H | 76 75 dd 1H J 14 82 | 71 71 m 1H | 70 69 ddd 1H J 14 75 89 | 69 69 dd 1H J 14 84 | 56 55 d 1H J 75 | 47 46 q 1H J 74 | 37 36 s 3H | 30 29 dd 1H J 73 176 | 27 26 dd 1H J 72 175
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)n2)c1
ir: 5 4 4 4 4 6 10 7 7 15 30 6 8 7 4 3 2 2 2 2 3 3 2 3 2 1 2 2 3 2 4 6 7 4 19 9 8 15 37 15 41 49 30 75 7 32 6 5 7 5 7 4 11 16 42 23 13 1 5 6 5 7 5 3 3 2 7 4 9 5 3 3 6 14 9 10 3 8 16 6 5 3 2 7 10 3 3 2 7 17 13 11 7 29 6 6 5 7 43 9 8 18 3 4 2 3 6 4 2 2 2 2 12 1 2 2 2 3 3 3 3 9 20 10 5 14 55 39 31 42 15 6 3 2 2 5 5 11 7 6 16 13 8 38 53 28 27 32 18 24 50 24 23 21 9 2 13 13 2 3 9 71 5 1 2 3 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 5 2 1 2 3 3 2 6 6 10 7 29 48 100 78 29 43 9 9 4 3 3 2 5 5 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 83 d 1H J 86 | 81 80 d 1H J 86 | 78 78 t 1H J 8 | 76 75 d 1H J 7 | 73 72 m 3H | 71 70 td 1H J 18 72 | 68 67 ddt 1H J 9 18 49 | 64 63 ddt 1H J 9 18 71 | 61 60 dd 1H J 48 71 | 52 51 m 4H | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1n1ccnn1
ir: 1 1 1 1 0 1 1 1 0 1 1 4 0 1 1 1 0 4 5 1 6 23 7 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 1 2 1 1 1 2 2 6 6 1 1 1 1 1 0 1 1 1 7 6 3 3 3 2 2 3 0 1 3 1 0 1 1 1 4 7 13 1 0 1 4 2 1 3 2 3 2 1 1 1 1 2 2 1 1 1 1 1 3 2 4 6 2 2 1 1 1 3 1 0 0 1 1 1 0 1 0 0 1 1 1 1 2 3 3 4 4 1 2 1 1 2 2 4 4 7 3 1 4 1 0 0 1 4 1 1 1 1 2 3 4 1 2 6 2 1 0 1 2 2 1 3 2 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 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 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 3 4 2 7 2 3 5 4 2 1 1 1 5 4 1 1 2 6 8 1 2 1 1 1 3 100 5 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 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: 87 86 d 1H J 18 | 80 79 d 1H J 121 | 78 77 m 1H | 77 76 d 1H J 26 | 49 48 t 1H J 20 | 42 41 tdd 2H J 19 64 126 | 39 38 m 4H | 27 26 d 2H J 58 | 14 13 ddd 2H J 65 73 86 | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(CCc2ccccc2)oc2ccccc12
ir: 0 0 0 1 1 0 0 2 1 1 1 1 2 3 3 1 1 1 0 1 1 0 1 4 5 2 1 6 4 7 5 7 9 6 2 1 2 3 9 27 95 37 11 5 6 2 1 2 0 0 2 1 0 0 0 1 1 0 1 1 1 0 2 4 7 3 34 4 11 8 2 1 0 2 3 2 2 5 4 5 1 1 1 10 1 0 1 1 2 13 4 2 1 2 2 1 1 6 11 2 0 1 5 1 1 1 0 3 19 2 2 4 3 2 2 1 0 1 1 9 1 4 3 4 1 2 3 8 6 3 3 8 3 2 5 15 28 5 100 2 0 2 10 5 6 6 10 3 7 19 1 5 2 2 3 1 1 1 2 5 75 15 2 1 1 1 1 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 0 0 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 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 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 1 1 0 1 1 1 2 2 2 2 1 3 3 1 3 4 7 13 19 21 99 45 38 13 9 3 2 2 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 17 79 | 76 75 ddd 1H J 18 71 88 | 75 74 m 2H | 73 72 m 5H | 62 61 t 1H J 13 | 30 29 ddq 2H J 9 73 81 | 29 28 tt 2H J 12 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c(C=O)cc1O
ir: 14 19 36 30 32 19 22 10 3 9 14 7 3 14 16 6 3 10 13 6 3 13 13 5 4 12 12 4 4 11 10 4 5 12 11 4 5 12 15 8 6 14 14 7 9 13 10 4 7 13 8 2 7 13 8 2 8 13 35 0 9 16 8 1 9 16 15 6 26 31 9 3 11 18 9 18 31 22 10 4 12 15 7 11 37 100 76 14 12 10 6 6 10 11 16 18 12 10 5 11 16 12 2 8 14 14 7 7 13 8 2 7 13 8 2 8 13 7 2 8 13 7 2 8 12 6 3 9 12 6 3 9 11 6 4 10 11 5 4 14 13 7 5 10 10 5 6 12 26 16 8 11 9 3 7 13 9 3 6 11 8 3 7 13 8 3 7 13 8 2 7 13 7 2 8 13 7 2 8 12 6 3 8 12 6 3 9 11 6 4 9 11 5 4 9 10 5 4 10 10 5 5 10 10 5 5 11 9 4 5 11 9 4 6 11 9 3 6 11 8 3 7 12 8 3 7 12 7 2 7 12 7 2 8 12 7 3 8 11 6 3 8 11 6 4 9 11 6 5 10 12 7 5 10 10 5 5 10 9 5 5 10 9 4 6 10 9 4 6 12 10 4 6 11 8 3 7 12 8 3 7 12 8 4 10 12 12 12 13 12 7 3 14 16 14 45 51 10 11 6 8 10 6 5 9 10 6 5 9 10 6 5 9 9 5 5 9 9 5 6 10 9 5 6 10 8 4 6 10 8 4 6 11 8 4 7 11 8 4 7 12 8 4 7 11 7 4 8 11 7 4 8 10 6 4 8 10 6 4 8 10 6 5 9 10 6 5 9 9 5 5 9 9 5 6 9 9 5 6 10 8 5 6 10 8 4 6 10 8 4 7 10 8 4 7 11 7 4 7 11; 1HNMR: 74 74 s 1H | 71 71 s 1H | 66 66 s 1H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Cc1ccc(OC2CCCCC2)cc1
ir: 1 2 5 2 1 3 4 4 3 5 11 7 5 4 5 7 7 4 3 1 1 2 3 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 4 4 2 3 3 3 3 3 2 1 2 3 2 1 4 5 10 17 10 9 3 1 2 3 1 0 2 2 2 1 3 11 4 2 2 4 5 1 3 3 1 1 2 2 1 1 2 2 4 11 7 5 3 1 3 2 2 2 3 4 5 4 3 2 1 1 3 2 1 2 4 15 2 7 5 2 1 4 6 5 2 5 3 7 2 6 10 3 3 9 13 6 2 2 3 2 0 2 2 1 1 3 5 21 13 3 2 5 2 18 28 4 2 5 4 2 2 2 2 1 1 2 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 2 2 3 3 1 3 4 4 17 37 15 39 100 18 4 4 2 2 3 2 1 2 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 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 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 1 2; 1HNMR: 72 71 dp 2H J 9 78 | 69 68 m 2H | 45 44 p 1H J 47 | 38 38 t 2H J 9 | 22 21 s 2H | 20 19 dddd 2H J 49 63 83 131 | 18 15 m 7H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)cc1N
ir: 1 5 3 8 23 7 5 15 12 9 4 6 6 3 1 2 4 5 3 6 2 1 1 1 1 6 2 0 1 0 1 1 2 1 1 1 2 2 3 1 1 0 1 1 1 2 1 2 3 1 2 2 3 11 18 6 3 2 2 1 1 1 3 2 2 3 2 2 7 10 6 2 0 1 1 1 1 6 8 5 1 1 0 1 0 2 1 3 3 4 3 3 4 4 9 24 4 3 4 3 1 2 1 1 3 5 1 0 0 0 1 0 0 0 1 1 1 1 1 1 2 1 2 2 2 7 3 2 1 1 1 3 2 1 1 0 0 0 0 0 0 0 0 1 2 1 3 10 11 13 41 10 8 3 3 8 16 20 6 1 1 1 2 1 24 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 1 1 1 1 1 1 1 2 1 2 2 2 3 1 22 22 8 9 3 3 3 1 1 1 1 0 0 0 0 0 1 1 0 6 25 2 1 1 0 0 0 1 1 1 5 21 100 6 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 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; 1HNMR: 72 71 dt 4H J 9 80 | 71 71 dt 4H J 7 79 | 68 67 d 1H J 88 | 67 66 dd 1H J 22 88 | 61 60 d 1H J 21 | 45 45 t 4H J 9 | 42 42 s 2H | 39 38 s 3H | 23 23 d 1H J 13 | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(OCc2ccccc2)cc(-c2nc3cc(Br)cnc3[nH]2)c1
ir: 1 2 2 2 2 2 2 2 1 3 3 2 1 3 3 4 5 20 5 3 24 4 1 3 7 8 10 8 33 11 6 4 8 2 2 2 3 6 10 18 32 24 4 3 2 5 3 2 2 1 1 1 2 2 5 2 2 2 2 1 2 3 4 4 4 30 10 70 8 5 4 6 3 2 5 3 2 3 4 4 3 9 3 2 2 6 3 3 3 6 4 3 6 5 2 2 2 3 4 13 1 2 3 2 1 2 2 2 2 2 2 1 1 1 2 2 2 2 4 5 12 10 3 3 2 4 3 2 4 5 4 3 7 4 3 4 2 2 2 2 6 10 3 17 11 92 4 1 3 10 8 66 25 0 7 6 5 2 2 4 8 15 4 2 3 1 2 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 4 6 11 12 22 100 36 15 6 3 3 2 3 2 2 1 2 2 1 2 2 1 1 1 2 5 3 5 11 9 12 30 13 18 8 4 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 16 | 86 86 d 1H J 16 | 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 72 71 t 1H J 22 | 71 71 t 1H J 22 | 66 65 t 1H J 22 | 50 49 d 2H J 9 | 47 46 hept 1H J 57 | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccccc1
ir: 7 4 6 7 5 3 5 11 21 6 6 8 33 9 8 4 5 6 5 11 50 100 31 13 10 4 5 3 6 3 4 13 8 10 28 34 15 34 7 13 4 5 4 5 14 4 2 1 4 3 2 2 1 2 2 2 2 2 1 1 1 2 2 1 1 2 1 3 5 6 2 1 3 5 3 0 8 13 48 19 3 2 3 4 3 4 7 4 1 8 2 2 3 4 3 4 4 7 14 5 3 2 2 1 1 2 2 4 3 6 2 6 3 4 5 5 8 7 4 6 4 6 5 2 3 3 4 7 6 10 22 10 10 2 3 64 4 3 2 2 2 4 13 64 26 74 50 16 7 23 18 6 7 2 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 4 3 1 2 2 4 3 3 4 4 3 7 8 11 8 6 20 22 7 3 2 2 2 1 4 13 65 25 5 2 2 2 2 1 1 2 2 4 4 14 9 29 18 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H | 73 72 m 4H | 59 59 d 1H J 82 | 43 42 m 1H | 30 30 ddt 1H J 9 68 141 | 28 27 m 2H | 25 24 dd 1H J 77 168 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)c1c[nH]c2ccc(Br)cc12
ir: 4 6 3 3 5 6 8 10 2 4 7 2 2 3 5 5 0 3 3 2 2 5 13 18 43 9 3 4 2 3 3 3 2 4 3 5 2 3 2 1 3 4 3 2 3 4 8 2 10 4 5 4 3 61 4 3 2 3 2 3 10 5 3 4 5 6 11 7 10 4 3 1 2 2 1 2 2 2 1 1 3 2 1 2 3 2 1 2 4 2 2 2 3 3 3 3 5 3 4 8 20 7 4 4 5 3 4 14 7 3 3 4 4 3 2 3 6 22 10 9 18 49 100 37 17 8 4 6 5 4 2 2 4 3 5 3 4 2 3 3 9 7 14 33 40 34 13 5 4 4 2 8 11 6 36 26 6 0 1 3 2 0 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 15 6 2 4 4 2 3 6 6 7 7 19 23 12 18 6 10 22 7 3 3 2 2 2 2 2 2 2 1 1 2 2 2 1 1 2 1 1 3 35 6 2 2 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 80 m 2H | 74 74 d 1H J 72 | 73 72 dd 1H J 25 74 | 37 36 s 3H | 35 34 t 2H J 87 | 28 28 t 2H J 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CBr)c1C(=O)OCC(C)C
ir: 5 6 10 6 19 10 12 5 3 4 6 4 3 7 10 7 16 27 12 6 4 3 5 2 1 3 2 2 2 3 3 2 3 4 4 10 3 5 4 10 11 3 5 3 4 5 7 6 21 0 2 3 2 1 2 3 2 2 3 4 6 4 9 9 5 5 9 3 3 6 3 5 4 22 4 4 4 3 2 2 2 3 5 4 3 4 6 4 4 4 3 6 5 5 5 6 13 7 4 3 5 3 2 6 11 23 14 8 13 25 28 23 12 8 4 4 8 6 6 11 6 3 6 5 6 5 4 4 3 7 5 3 4 4 11 40 9 6 6 4 25 9 4 4 18 15 6 13 44 21 6 6 3 1 1 6 5 100 5 1 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 9 4 2 4 5 8 5 6 6 5 7 8 7 7 29 15 15 66 36 13 8 3 3 3 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 2H | 72 71 m 1H | 49 48 d 2H J 6 | 41 40 d 2H J 51 | 25 24 d 3H J 7 | 21 20 dtt 1H J 52 74 148 | 10 9 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnccc1S(=O)(=O)CC1CCCCC1
ir: 3 3 5 6 6 8 12 8 8 12 14 20 23 19 29 7 3 26 19 47 83 100 94 10 8 12 6 6 4 2 2 2 2 5 4 4 3 2 1 4 6 2 5 7 6 8 3 3 2 2 2 2 3 3 2 5 4 3 2 3 2 2 1 5 12 26 8 4 3 6 4 5 12 3 18 50 64 14 10 37 37 8 5 38 39 26 71 42 20 15 9 7 3 2 3 2 3 3 3 2 4 4 11 13 13 7 6 4 4 10 12 10 33 24 5 10 9 6 4 7 4 10 8 5 4 4 5 6 1 3 2 2 1 2 4 4 2 3 3 2 3 6 5 6 7 3 3 5 4 2 2 1 2 3 5 2 2 2 2 4 25 21 4 0 1 2 2 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 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 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 4 4 5 6 10 6 3 3 2 3 7 11 11 18 21 9 1 3 4 1 0 3 6 22 45 52 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 92 92 d 1H J 14 | 87 86 dd 1H J 14 59 | 77 76 d 1H J 60 | 34 33 d 2H J 90 | 22 21 tp 1H J 72 91 | 17 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ncc(C(Cc2ccccc2)(C(=O)OCC)C(=O)OCC)n1Cc1ccccc1Cl
ir: 3 3 0 3 4 3 6 3 3 3 2 5 3 1 0 2 2 1 0 1 3 1 2 1 2 5 2 2 2 1 2 5 17 5 3 6 2 3 9 50 20 51 21 11 7 4 6 4 2 2 4 5 7 1 3 2 2 1 2 3 2 1 3 2 2 6 2 4 5 4 4 3 7 4 5 7 12 20 7 5 2 0 2 2 2 1 2 15 2 4 26 9 6 2 3 3 3 7 4 14 4 3 3 4 2 2 5 5 13 11 6 26 25 20 19 16 7 22 18 16 4 6 6 6 13 10 3 3 7 5 5 5 2 4 6 21 3 23 4 3 4 7 21 10 4 5 19 9 10 2 1 1 3 2 2 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 3 1 1 1 2 2 4 4 6 4 6 7 18 9 5 7 20 10 9 12 16 100 32 48 48 44 11 52 9 6 2 2 3 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 1H | 73 72 m 6H | 71 70 m 2H | 62 62 s 1H | 54 54 d 2H J 7 | 43 42 m 4H | 35 35 d 2H J 9 | 26 26 t 2H J 70 | 17 16 p 2H J 67 | 15 14 m 2H | 12 11 t 6H J 60 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1cncc(-n2cnc3ccc(C(N)=O)cc32)n1)c1cccc(F)c1
ir: 2 9 17 8 8 3 3 4 2 4 3 4 3 11 24 40 29 29 11 20 15 23 18 15 24 17 18 5 7 12 8 14 7 35 39 10 14 3 11 86 48 16 8 3 3 7 4 19 7 3 2 2 2 5 13 19 6 3 3 2 3 1 2 1 8 10 14 20 19 20 4 3 5 6 6 4 6 3 2 4 15 23 11 5 3 2 3 3 4 12 5 20 22 2 3 3 2 6 4 8 33 10 7 3 3 9 11 8 7 6 2 4 4 25 6 4 15 9 6 2 11 3 6 6 4 15 3 6 19 10 8 16 13 3 1 2 3 6 5 9 9 5 25 27 4 5 48 19 18 4 2 4 12 11 10 24 28 23 100 22 5 3 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 1 2 1 1 2 2 3 3 6 6 6 14 66 15 13 5 3 2 2 2 2 2 1 3 4 4 3 4 4 42 81 6 5 2 4 6 12 21 91 48 7 7 79 64 5 8 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 90 90 d 1H J 18 | 88 88 s 1H | 82 81 d 1H J 21 | 81 80 d 1H J 18 | 79 79 d 1H J 76 | 78 78 dd 1H J 21 76 | 73 72 m 1H | 73 73 s 2H | 72 72 m 2H | 70 69 m 1H | 66 66 d 1H J 84 | 49 48 m 1H | 16 16 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2nc3ccc(O)cc3s2)cc1
ir: 2 2 1 2 5 3 2 2 3 2 2 2 2 2 3 2 6 8 3 7 6 4 49 6 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 4 8 18 1 3 2 2 2 2 2 2 2 2 4 3 2 4 2 2 2 2 2 16 5 4 44 29 3 9 3 1 2 2 2 3 2 4 3 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 3 2 2 2 2 2 2 2 6 3 2 2 2 1 2 2 2 2 6 2 3 1 2 2 2 1 2 17 2 2 2 2 2 3 3 5 26 6 3 2 2 2 3 11 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 3 2 1 2 5 4 24 7 2 3 1 2 5 2 16 100 100 4 6 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 80 m 2H | 78 78 m 2H | 76 76 d 1H J 82 | 75 74 s 1H | 72 72 d 1H J 20 | 69 68 dd 1H J 22 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(CCBr)cc2-c2ccc(C)cc2)cc1
ir: 0 1 2 1 0 1 2 2 1 2 2 3 6 9 2 2 1 2 2 2 1 3 1 1 1 1 1 1 1 4 3 1 1 1 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 3 29 100 6 7 8 5 1 6 6 3 4 2 6 2 0 3 13 5 2 15 21 2 0 1 2 1 1 1 1 1 1 1 1 1 3 5 3 2 1 3 2 1 3 4 12 6 5 2 1 1 1 3 3 1 1 1 1 0 1 2 1 0 1 3 2 3 5 2 2 2 4 5 3 6 4 2 2 2 3 10 4 2 33 2 1 1 1 4 12 3 2 2 1 5 6 26 30 11 6 20 2 1 3 4 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 0 1 1 1 1 1 1 1 2 2 2 1 1 2 3 7 11 11 8 17 69 24 19 6 5 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 2H | 73 72 m 4H | 71 71 m 2H | 68 68 d 1H J 9 | 38 38 s 3H | 37 37 t 2H J 40 | 31 30 td 2H J 9 40 | 24 23 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CBr)CC1
ir: 5 5 15 5 11 20 5 12 10 13 28 27 11 7 15 3 2 2 10 2 4 3 9 4 7 4 5 3 3 3 3 2 2 1 2 2 7 2 2 6 3 9 3 6 5 2 5 4 5 4 6 30 24 7 20 32 43 8 13 4 2 4 11 2 2 2 1 2 6 7 1 1 1 2 1 0 1 1 2 0 1 1 0 1 2 12 26 10 5 5 8 3 1 1 2 3 5 24 6 4 2 5 6 5 4 6 3 3 4 3 3 4 6 10 14 12 4 21 71 32 16 14 25 43 46 29 45 21 22 14 9 9 11 18 15 6 8 5 21 7 5 5 2 5 4 12 39 50 82 9 22 84 24 4 2 1 1 1 1 0 1 2 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 1 1 1 1 0 1 2 2 5 2 2 5 7 11 8 3 3 5 6 11 15 54 32 23 100 20 7 4 3 4 7 3 2 1 1 2 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddt 2H J 9 35 82 | 71 70 m 2H | 46 45 d 2H J 9 | 39 38 m 1H | 39 39 s 2H | 37 36 ddd 2H J 55 82 123 | 34 33 ddd 2H J 55 82 123 | 22 21 ddt 2H J 56 82 121 | 19 18 ddt 2H J 56 82 121 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c2c(=O)c3ccccc3c(=O)c2c(N)c2c(=O)n(CCO)c(=O)c12
ir: 2 1 2 5 2 5 3 17 10 9 13 2 4 20 11 6 7 3 2 3 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 8 15 3 3 0 3 8 16 5 2 1 7 2 1 1 2 2 2 1 2 4 2 2 1 2 2 2 2 2 6 2 2 2 2 2 2 2 2 1 1 1 1 1 1 4 1 1 3 2 1 9 4 3 3 10 3 9 2 2 2 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 2 3 2 1 29 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 8 1 1 1 1 21 1 1 1 50 2 1 1 1 1 22 5 2 5 17 100 14 12 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 6 2 2 2 2 31 11 4 4 3 1 1 1 1 1 1 4 70 3 1 1 1 1 2 2 2 2 2 2 3 38 10 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 78 m 4H | 76 75 s 3H | 42 41 t 2H J 35 | 41 41 t 1H J 56 | 38 37 dt 2H J 36 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(NC(Cc1c[nH]c2ccccc12)C(F)(F)F)c1c(F)cc(F)cc1F
ir: 14 11 3 2 2 7 4 5 4 5 3 4 2 4 2 6 4 4 2 1 3 3 3 1 1 6 35 3 1 2 2 1 1 2 3 3 3 6 19 4 7 14 19 61 5 2 3 3 7 10 3 2 3 4 9 2 8 10 5 7 3 2 1 1 16 44 100 13 14 31 3 8 3 1 3 5 2 2 4 4 2 0 4 1 8 65 12 2 4 3 3 2 2 2 2 2 18 5 2 11 14 19 18 5 6 18 19 17 19 8 9 16 1 13 11 12 3 3 3 3 1 1 1 2 1 4 5 2 3 2 2 2 3 2 2 2 2 14 2 1 1 10 2 3 2 2 2 2 2 2 1 7 7 5 27 2 2 1 2 33 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 3 3 5 36 8 5 16 3 2 1 2 3 2 1 2 2 1 1 2 3 1 1 4 5 11 96 12 4 6 32 11 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 d 1H J 68 | 78 77 dt 1H J 9 70 | 74 73 dd 1H J 14 78 | 72 71 m 4H | 70 70 ddd 2H J 9 114 122 | 44 43 dtq 1H J 81 93 125 | 32 32 m 1H | 30 29 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(C(=O)O)C(=O)N1Cc1ccccc1
ir: 6 5 4 6 8 7 2 8 7 12 11 14 34 13 6 16 10 11 17 20 61 47 7 13 14 4 12 10 5 2 7 16 21 3 4 5 6 9 9 15 32 16 8 12 7 2 7 6 3 1 4 6 3 0 3 5 3 1 3 6 4 1 3 5 3 1 5 9 29 9 4 5 5 4 6 7 7 14 69 72 9 4 6 8 9 4 11 7 6 20 5 6 4 6 10 7 2 6 25 5 2 4 14 4 3 7 14 3 2 4 9 22 8 6 9 8 3 8 24 14 10 12 12 7 9 6 7 4 1 6 6 3 3 8 11 40 4 5 5 3 2 8 20 10 14 47 8 13 22 100 11 4 14 5 4 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 3 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 4 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 0 3 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 4 5 3 1 3 5 5 5 4 6 9 6 6 7 13 5 13 33 25 7 5 5 5 2 11 10 47 67 5 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 72 m 5H | 49 48 m 1H | 45 44 dd 1H J 9 125 | 39 38 p 1H J 60 | 38 37 t 1H J 60 | 23 22 dt 1H J 60 121 | 21 20 m 1H | 13 12 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1O/C(=C\[C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
ir: 0 1 1 1 0 1 2 1 1 1 1 1 0 7 3 1 1 0 1 1 2 2 1 0 0 0 0 1 0 0 1 1 2 18 4 1 0 0 0 1 1 1 8 4 0 1 1 1 2 1 1 0 1 6 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 1 2 1 3 1 1 1 0 0 0 1 0 1 1 2 2 0 3 6 3 2 2 2 1 0 4 15 100 10 2 1 2 3 1 0 2 2 5 1 1 1 0 1 1 1 3 5 1 1 0 0 2 3 26 2 3 8 1 1 0 1 0 0 0 0 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 2 3 7 8 6 60 15 3 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 ddd 2H J 16 81 124 | 77 76 td 1H J 15 78 | 75 75 td 1H J 15 79 | 73 72 m 2H | 72 71 m 2H | 65 64 dp 1H J 9 84 | 27 26 dtt 1H J 44 71 86 | 26 25 m 1H | 19 17 m 4H | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(Oc2ccc(C(=O)OC)cc2)cc1
ir: 12 13 9 10 10 4 4 3 4 3 3 3 4 21 19 5 3 2 2 2 2 2 2 2 3 4 3 2 2 2 2 2 4 10 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 7 10 25 42 5 6 4 2 2 3 3 2 2 2 2 2 15 9 4 4 5 3 4 2 4 6 5 2 2 2 2 2 2 3 5 9 2 2 2 2 2 4 2 4 3 2 3 3 2 2 2 2 2 2 2 2 2 4 11 18 10 9 50 9 7 7 6 7 11 5 5 6 17 13 9 7 5 2 2 2 2 2 2 2 1 1 3 4 2 6 73 8 5 4 5 6 29 34 85 66 7 6 3 2 3 2 2 2 2 4 22 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 3 4 5 3 19 11 26 100 32 0 8 5 5 1 3 4 3 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 81 80 m 2H | 79 79 m 2H | 71 70 m 4H | 44 44 q 2H J 64 | 39 39 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.
CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1
ir: 6 2 3 2 2 3 1 1 6 2 14 9 6 11 6 3 6 3 5 11 33 100 5 7 2 6 4 5 5 8 19 10 15 9 14 36 7 11 6 6 3 2 2 4 3 4 3 1 1 1 2 2 3 4 3 3 4 3 1 1 1 3 1 2 2 3 1 1 1 1 1 1 1 2 6 12 9 21 40 17 4 3 6 4 1 6 5 1 1 0 0 1 1 1 2 5 3 3 1 1 1 1 1 1 1 1 1 2 7 4 3 11 13 6 15 24 23 8 10 7 3 6 3 2 3 6 10 6 3 3 4 6 3 5 2 2 2 2 3 1 1 1 10 19 9 29 12 4 9 43 5 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 4 2 6 9 3 1 1 1 1 1 0 1 1 1 2 4 27 9 6 3 2 2 1 3 3 3 98 18 6 4 12 8 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 d 1H J 84 | 40 39 m 1H | 32 31 ddd 1H J 27 50 126 | 31 30 ddd 1H J 16 51 130 | 30 29 dt 1H J 52 126 | 28 27 ddd 1H J 44 53 130 | 27 25 m 2H | 21 20 ddd 1H J 45 58 147 | 19 18 ddd 1H J 72 85 147 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)Nc2cccc(/C(=C\C(=O)O)c3ccccc3)c2)cc1
ir: 7 7 7 5 5 13 2 8 9 22 17 53 7 13 19 6 6 4 5 4 7 10 14 23 23 45 7 10 12 17 10 17 9 9 14 14 16 14 8 17 8 9 36 6 4 5 3 7 5 6 14 21 13 0 18 8 7 2 8 5 6 4 5 7 10 16 7 13 14 16 4 43 7 20 30 12 47 54 12 7 4 3 16 34 82 3 10 12 11 7 5 4 2 2 5 5 3 14 10 10 13 15 12 5 2 14 5 2 0 1 3 2 0 3 4 7 4 7 9 13 7 14 6 6 11 10 11 16 12 15 9 5 2 4 4 5 13 4 3 1 5 16 17 18 11 48 14 8 1 7 5 6 20 6 3 9 9 6 3 1 2 10 6 3 2 3 2 0 1 3 2 0 1 3 1 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 3 5 10 17 64 83 64 5 9 7 3 6 3 1 8 19 22 6 2 1 2 3 1 1 3 3 2 1 3 5 5 35 100 20 4 2 3 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 80 80 s 1H | 76 76 m 2H | 75 75 m 2H | 74 74 m 5H | 74 73 m 2H | 73 73 t 1H J 21 | 71 70 m 2H | 65 64 s 1H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNCc1ccc(CCCC)n(Cc2ccc(-c3ccccc3C#N)cc2)c1=O
ir: 4 1 0 1 3 2 1 2 2 1 3 2 1 3 1 3 3 2 1 3 1 1 1 2 4 17 2 1 4 1 3 8 1 1 3 2 3 6 4 7 15 38 13 24 15 2 5 2 17 14 25 10 15 13 6 4 9 9 6 3 6 2 3 6 4 8 1 2 2 5 4 1 5 5 3 3 2 1 1 1 1 0 1 1 1 1 1 3 4 3 4 2 1 1 3 3 3 2 4 1 4 2 1 4 8 17 21 7 2 3 6 11 13 19 7 11 7 6 8 8 4 5 4 4 7 10 7 3 3 7 4 5 2 3 3 3 29 11 12 16 3 2 2 2 4 10 13 7 8 4 3 2 3 2 1 3 8 5 2 6 7 2 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 3 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 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 1 1 1 0 0 1 1 1 1 2 2 2 2 3 4 1 2 3 3 2 3 5 12 10 9 100 17 14 9 2 1 1 2 1 1 1 1 1 1 2 1 1 3 3 12 41 8 3 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 ddd 2H J 14 69 89 | 76 76 m 2H | 76 75 td 1H J 15 76 | 75 75 m 3H | 71 70 dp 1H J 12 70 | 62 61 dp 1H J 11 69 | 51 50 t 2H J 9 | 42 41 m 1H | 37 36 dt 2H J 11 57 | 29 28 tt 2H J 12 77 | 28 27 td 2H J 51 59 | 16 15 m 4H | 14 13 m 4H | 9 9 td 6H J 44 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(Nc3ccc4c(c3)NC(=O)CC4)c3n[nH]cc3c2c1
ir: 2 1 1 2 6 5 3 3 2 2 1 3 6 2 4 3 3 4 5 7 12 14 11 8 14 30 16 6 5 10 12 5 5 7 16 13 5 8 15 4 4 1 2 4 3 9 3 3 9 4 2 6 9 11 17 16 24 3 4 3 4 0 1 3 2 3 7 10 5 14 2 2 2 1 2 3 1 1 2 2 1 1 2 1 1 1 2 2 1 1 3 3 4 4 5 3 16 3 1 2 16 1 3 2 0 3 8 4 2 2 5 9 9 3 5 7 2 2 3 3 5 3 4 2 2 14 6 3 5 4 2 1 2 5 2 1 2 2 6 2 1 2 2 1 1 5 2 1 6 10 6 15 90 9 6 19 8 17 5 1 2 4 3 3 3 100 4 4 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 2 1 1 2 1 0 1 4 8 6 4 32 7 3 23 4 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 3 8 4 7 13 95 78 15 5 3 2 2 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 94 93 s 1H | 85 85 s 1H | 83 82 d 1H J 36 | 80 80 d 1H J 83 | 74 74 d 1H J 28 | 71 70 m 4H | 68 68 d 1H J 20 | 39 38 s 3H | 28 28 m 2H | 25 24 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=P(Cl)(Oc1cccc2ccccc12)Oc1cccc2ccccc12
ir: 6 5 5 8 5 5 6 8 6 10 5 5 6 5 5 6 9 26 9 5 5 6 9 19 9 7 7 8 6 9 20 5 5 5 5 5 5 5 8 6 5 9 5 6 11 37 88 13 13 11 23 11 5 7 5 5 5 21 7 5 6 19 8 6 5 5 5 6 10 16 6 8 5 2 10 100 25 12 6 6 10 22 33 7 10 6 5 5 5 5 5 5 5 6 7 9 7 6 12 5 6 5 5 6 10 19 5 7 6 5 9 8 6 5 5 6 11 5 5 5 5 5 5 5 5 5 5 5 7 6 7 12 31 9 7 5 14 12 6 7 6 5 5 5 5 8 8 15 24 12 10 0 69 3 6 7 7 9 6 15 10 5 5 6 5 4 9 6 5 4 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 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 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 6 5 4 5 6 5 4 5 6 5 4 5 7 6 4 6 9 7 4 6 27 24 33 69 13 8 14 7 4 7 7 5 4 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 5 5 5 5 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: 83 82 m 2H | 78 77 dt 2H J 14 80 | 77 77 dt 2H J 11 76 | 76 76 ddd 2H J 13 70 80 | 75 74 m 4H | 73 73 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21
ir: 3 3 10 4 6 5 8 2 4 6 0 2 2 1 1 1 1 1 1 4 6 1 2 1 1 2 5 1 1 1 1 6 5 2 1 1 1 1 1 2 1 4 3 3 4 2 14 4 4 7 4 3 7 6 5 29 6 3 6 8 2 5 7 9 4 37 6 4 4 2 3 3 1 1 3 1 1 0 1 1 1 1 4 5 5 20 16 3 4 3 3 2 8 5 3 3 4 5 1 1 2 1 1 2 1 11 5 7 4 1 1 1 1 1 0 1 1 1 3 2 8 2 2 4 9 2 1 1 1 1 0 1 1 0 0 1 1 2 3 13 3 2 5 4 3 2 1 1 1 1 2 14 33 13 1 11 2 3 14 1 1 1 1 0 3 5 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 1 0 0 0 0 0 0 0 1 1 1 1 1 2 4 15 46 12 9 6 3 2 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 3 6 100 10 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 89 88 s 1H | 86 86 d 1H J 22 | 81 80 dd 1H J 22 88 | 79 79 d 1H J 91 | 78 77 d 1H J 89 | 73 72 d 1H J 121 | 71 71 d 1H J 42 | 68 67 d 1H J 92 | 63 63 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cc(C#N)c3c(NC4CC4)nc(Cl)nc32)cc1
ir: 4 4 5 4 7 11 11 9 8 5 47 15 41 39 2 15 5 6 5 5 14 11 4 4 7 5 3 3 27 9 2 4 28 3 3 3 3 4 2 8 13 42 10 7 3 2 2 3 2 1 2 3 3 3 4 7 2 2 2 3 3 12 3 6 38 8 3 7 7 4 4 3 1 2 4 3 2 1 2 2 6 8 3 6 21 3 2 3 7 2 2 2 2 11 10 5 20 6 3 4 9 3 2 2 2 8 2 1 1 1 1 2 6 8 3 2 1 1 2 2 3 2 2 2 3 12 8 2 1 2 38 3 5 5 10 26 9 13 9 2 2 3 3 11 0 3 6 27 9 20 6 7 33 68 1 4 6 100 3 4 7 6 62 6 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 2 3 4 4 2 8 30 32 4 8 13 6 3 3 2 3 2 2 2 2 2 1 2 2 2 2 3 3 8 54 9 83 38 15 5 3 4 4 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 76 76 s 1H | 75 74 d 1H J 68 | 72 72 m 2H | 32 31 dp 1H J 49 68 | 24 24 d 3H J 9 | 7 6 m 2H | 5 5 dddd 2H J 9 50 80 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
ir: 3 5 11 6 3 6 6 8 4 6 26 14 21 7 5 4 3 3 2 3 3 2 2 6 5 4 4 4 3 5 4 3 3 3 3 2 3 8 5 6 4 5 4 4 5 7 4 3 3 4 3 2 3 3 6 10 6 4 3 3 3 4 3 5 3 3 3 4 5 4 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 4 3 2 2 2 3 2 3 3 3 3 4 5 5 3 3 4 3 3 3 6 4 7 8 13 10 8 6 7 10 20 22 10 5 14 9 6 9 6 5 5 8 16 2 6 10 9 5 8 6 3 2 3 3 1 1 4 15 9 3 11 100 78 27 11 1 6 3 0 1 4 4 34 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 4 4 2 3 5 4 3 6 4 5 25 31 3 15 33 9 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 77 dt 1H J 50 82 | 71 70 ddd 1H J 28 81 103 | 70 69 td 1H J 27 121 | 38 37 ddd 2H J 59 86 124 | 36 35 ddd 2H J 58 85 124 | 32 31 p 1H J 58 | 23 22 ddt 2H J 59 86 128 | 20 19 ddt 2H J 58 84 126 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CNc1cccc(Oc2ccccc2)c1
ir: 16 9 8 15 6 9 2 7 7 15 16 10 25 8 11 16 12 12 15 7 6 6 5 3 7 4 7 2 5 8 6 5 7 4 3 3 2 9 6 2 15 100 13 6 5 6 24 85 27 5 1 4 2 0 2 3 2 0 2 3 2 1 5 7 6 4 10 21 20 8 4 2 5 11 3 2 3 6 16 6 7 10 3 2 1 1 1 1 2 2 2 2 2 10 18 3 2 4 4 3 3 3 3 5 20 11 7 3 1 1 2 4 7 2 3 3 2 5 10 6 8 17 6 16 27 7 4 4 4 5 4 2 3 2 8 11 2 4 5 11 13 29 49 11 29 23 7 4 3 4 5 12 11 19 4 3 16 6 2 4 3 12 24 4 4 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 3 1 2 3 3 3 5 6 15 11 19 49 57 14 9 11 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 7 7 7 14 26 20 26 6 2 3 3 2 1 2 2 1 2 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H | 72 72 t 1H J 78 | 71 71 tt 1H J 14 75 | 70 70 m 2H | 65 64 m 3H | 64 63 t 1H J 22 | 40 39 d 2H J 59 | 36 36 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]1CCOC1)N1CCN(c2ccn3ncc(Br)c3n2)CC1
ir: 3 5 2 3 8 4 1 3 24 3 3 4 3 8 22 3 2 3 2 5 4 2 9 4 4 3 2 2 1 1 2 8 4 1 7 1 1 1 2 1 1 4 1 1 1 1 1 1 2 3 2 2 8 25 12 8 2 1 2 5 1 0 2 1 1 0 1 2 1 0 6 1 1 1 1 9 1 1 3 1 0 0 2 2 0 0 3 2 11 2 1 3 3 1 2 3 4 13 7 7 2 11 12 6 6 3 2 3 8 3 3 7 1 11 4 1 1 2 10 16 33 8 5 3 4 3 2 4 2 3 2 6 2 4 3 1 3 13 2 2 6 3 4 7 100 18 4 1 4 14 29 25 13 3 1 1 1 1 1 2 17 3 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 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 2 2 2 2 4 2 3 2 1 5 2 20 5 2 4 7 14 8 13 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 d 1H J 66 | 80 80 s 1H | 70 69 d 1H J 66 | 50 49 dtt 1H J 17 37 55 | 41 41 dd 1H J 17 115 | 39 38 m 2H | 38 37 ddd 1H J 32 50 109 | 36 36 m 8H | 24 23 ddt 1H J 34 48 140 | 21 20 dtd 1H J 31 53 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CCC(=O)c1c(OC)cccc1OC
ir: 5 2 2 3 6 3 1 3 6 3 3 5 3 3 3 2 3 5 6 6 5 3 6 5 11 11 14 13 14 10 10 16 23 13 21 13 10 19 26 15 11 12 6 8 10 14 20 88 42 10 17 11 6 0 7 22 7 5 7 3 5 3 10 10 2 7 3 6 3 3 5 4 2 3 6 3 3 7 3 3 3 3 2 2 1 1 1 1 0 1 2 1 1 4 7 3 4 2 3 4 4 7 3 1 2 1 2 1 0 3 3 5 2 5 8 8 10 9 9 8 11 15 6 11 33 7 8 7 3 4 8 6 4 10 12 17 21 7 7 13 9 20 36 71 89 100 87 51 22 9 2 4 2 1 1 4 7 57 30 3 4 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 4 4 5 7 5 4 3 6 2 5 5 17 11 8 11 50 33 6 3 2 2 1 1 3 2 1 1 2 1 1 2 2 3 4 7 8 25 31 35 18 24 9 12 5 3 2 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 73 73 t 1H J 83 | 68 67 d 2H J 84 | 60 59 q 1H J 50 | 39 39 s 5H | 33 33 t 2H J 86 | 30 30 d 3H J 51 | 26 26 t 2H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
ir: 11 3 4 4 10 16 2 2 3 2 0 3 4 1 1 1 2 5 1 1 2 1 1 2 6 3 1 2 2 2 3 3 4 6 0 1 2 4 3 6 27 7 5 15 11 8 14 15 3 4 19 41 5 4 6 4 7 10 13 10 9 7 6 8 3 5 5 9 24 29 21 25 40 8 4 5 5 3 3 6 8 19 6 2 5 7 27 30 5 4 6 3 6 14 5 4 7 7 9 3 6 4 9 12 18 100 51 18 6 14 11 12 11 9 12 6 7 5 8 9 3 2 4 3 2 5 5 9 8 5 4 5 4 6 4 4 2 5 8 1 1 2 2 4 12 10 7 1 3 10 13 3 2 3 7 39 21 1 2 2 1 1 1 0 1 1 2 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 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 2 2 2 3 5 4 11 4 2 3 5 4 2 2 19 22 6 6 44 38 5 9 3 3 2 1 1 1 1 2 2 1 1 1 1 1 2 4 9 93 90 11 4 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 0 0 1 1 0 0 1 0 0 1 1 0 0; 1HNMR: 87 86 dd 1H J 18 40 | 80 79 dt 1H J 19 77 | 75 74 dd 1H J 40 79 | 74 73 m 1H | 69 69 dt 1H J 8 20 | 48 48 t 1H J 62 | 45 45 p 1H J 45 | 32 31 q 2H J 89 | 30 29 q 2H J 61 | 29 28 ddd 2H J 56 82 121 | 27 26 m 3H | 27 26 m 1H | 26 26 tt 2H J 9 84 | 22 21 dddd 2H J 44 57 84 128 | 19 18 dddd 2H J 44 57 84 128 | 16 15 m 7H | 14 13 m 5H | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1csc(N2CCNCC2)n1
ir: 1 2 3 2 6 12 9 13 5 3 3 3 4 3 3 2 1 2 2 3 2 5 25 15 12 4 3 2 11 23 5 3 5 6 12 51 78 6 3 1 2 4 3 2 2 3 2 1 2 4 5 6 37 66 18 5 52 12 21 41 9 6 5 3 7 10 7 21 5 4 3 12 7 24 3 5 4 5 1 0 2 2 5 4 4 22 9 27 4 4 4 26 26 25 5 4 7 13 4 9 10 3 3 3 5 8 30 61 38 41 9 26 13 22 36 36 12 13 14 26 24 11 19 11 36 26 18 17 17 4 1 1 2 2 2 2 4 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 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 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 2 1 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 2 4 3 2 2 4 2 1 1 2 2 1 5 4 23 15 19 17 10 5 4 5 3 41 28 74 61 43 100 51 93 0 6 6 1 1 2 4 2 2 2 7 2 4 4 10 33 22 35 3 1 0 2 2 1 1 2 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 71 d 1H J 49 | 67 66 d 1H J 49 | 36 35 m 4H | 30 29 qd 4H J 9 37 | 21 21 p 1H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(COC1CCCCO1)COC1CCCCO1
ir: 2 7 38 13 19 20 19 33 11 7 9 40 10 7 7 4 1 5 5 5 24 20 7 7 33 11 6 4 12 15 7 2 2 4 5 2 2 5 4 2 3 4 5 11 3 10 8 8 25 36 7 3 7 13 27 0 8 9 4 18 5 17 3 0 13 13 32 44 10 6 6 7 40 15 91 100 16 11 10 34 27 8 3 2 5 4 2 3 4 4 8 5 14 6 10 2 6 4 2 4 6 5 4 3 6 11 3 5 7 12 3 35 23 9 67 25 25 22 28 26 28 17 27 25 24 7 4 17 25 10 8 10 7 3 2 5 6 3 4 7 20 12 10 61 13 8 4 6 5 2 3 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 0 3 6 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 1 4 4 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 3 4 5 4 4 3 6 5 3 6 8 46 21 10 12 10 4 6 13 10 99 90 11 8 4 4 4 3 2 3 5 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 5; 1HNMR: 48 47 t 2H J 33 | 43 43 d 2H J 148 | 42 41 d 2H J 148 | 39 38 m 2H | 36 35 dddd 2H J 25 41 59 96 | 18 17 m 4H | 16 16 m 3H | 16 15 m 3H | 16 15 m 1H | 15 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CNCC1NC(=O)c1ccc(Cl)s1
ir: 2 2 4 4 3 8 4 4 3 3 12 11 3 2 2 2 10 10 7 2 1 2 5 5 8 6 14 8 5 5 3 2 2 2 5 3 1 3 9 16 12 23 80 71 21 13 12 5 9 5 3 1 3 2 3 5 6 4 9 8 12 37 12 5 19 15 19 17 15 9 5 4 3 5 4 7 2 2 2 2 3 4 3 2 2 1 1 4 2 2 2 4 12 4 2 1 2 2 2 2 3 3 3 7 13 61 100 32 21 18 19 19 37 45 57 8 4 4 8 11 3 9 7 12 7 19 8 11 5 2 3 2 2 1 1 2 2 1 1 2 3 6 17 75 9 9 48 14 8 9 74 0 1 2 4 2 2 4 6 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 3 2 3 2 3 3 6 4 5 3 7 3 2 1 14 30 6 2 1 2 2 2 1 1 2 2 3 4 4 5 8 6 29 26 3 4 6 37 77 48 8 6 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 1H J 68 | 71 70 d 1H J 68 | 69 68 d 1H J 66 | 42 41 ddt 1H J 19 40 64 | 38 38 dh 1H J 15 47 | 34 33 m 4H | 31 30 dddd 2H J 19 43 138 180 | 28 27 ddd 1H J 16 41 133 | 21 21 p 1H J 41
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1c(C2CCN(C(=O)OC(C)(C)C)CC2)ccc2c1CC[C@H](C)N2C(C)=O
ir: 1 4 8 11 13 24 1 9 9 9 49 27 27 8 6 5 3 7 4 3 6 4 4 31 4 5 6 6 11 23 8 12 4 4 8 2 2 4 8 4 2 3 6 2 3 2 4 2 1 2 5 4 2 1 22 9 31 9 5 7 2 7 5 3 6 3 6 2 3 5 10 17 4 4 6 4 4 4 1 2 4 3 7 4 3 3 2 1 2 9 4 4 4 3 2 2 5 4 6 3 4 5 9 9 15 7 8 4 10 6 15 19 17 18 38 8 10 16 6 41 28 23 18 21 11 11 12 12 17 67 45 27 5 8 11 61 23 25 10 4 5 2 2 4 4 2 5 32 55 48 10 100 10 15 8 0 1 3 2 1 5 14 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 2 4 6 8 5 5 6 7 6 6 6 5 9 7 13 29 65 27 11 42 26 1 4 4 2 3 2 3 2 1 2 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 70 dd 1H J 7 88 | 67 67 d 1H J 88 | 44 43 pd 1H J 42 75 | 40 39 t 2H J 53 | 38 37 ddd 2H J 59 85 123 | 36 35 ddd 2H J 58 85 123 | 30 29 m 2H | 29 28 ddd 1H J 56 81 157 | 23 23 s 2H | 22 20 m 3H | 19 18 m 5H | 15 14 s 7H | 14 13 d 3H J 75 | 12 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc([C@H]2CCN[C@@H](Cc3ccc(F)c(F)c3)C2)o[nH]1
ir: 1 2 2 5 3 7 4 4 3 3 4 4 2 3 4 5 5 6 7 5 5 3 3 4 4 3 3 3 3 10 7 6 6 3 4 5 4 4 11 11 13 4 4 3 3 1 3 3 4 10 11 9 11 3 22 32 12 18 18 11 7 27 26 25 19 12 6 15 17 2 3 1 2 2 1 4 4 5 11 5 7 24 4 2 1 43 2 2 7 1 2 1 3 2 4 4 9 6 4 3 5 3 3 4 2 7 12 12 10 10 6 10 13 10 9 13 12 18 15 9 7 15 11 11 10 13 14 12 3 6 4 14 4 4 6 4 4 2 3 2 4 36 3 2 3 4 8 15 21 36 6 2 3 3 2 1 1 4 3 1 38 64 8 7 3 0 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 7 4 3 3 3 4 8 3 10 27 8 9 47 19 16 15 9 5 3 4 3 2 5 4 4 3 4 4 3 8 6 26 100 18 10 15 59 18 7 3 5 3 3 5 2 2 2 2 2 1 1 2 1 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; 1HNMR: 71 70 ddd 1H J 46 91 101 | 70 69 m 2H | 57 56 d 1H J 18 | 33 31 pdd 1H J 25 44 70 | 30 29 m 2H | 29 27 m 2H | 27 25 m 2H | 20 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(C)c1cncc(F)c1C(=O)O
ir: 2 2 13 2 1 2 2 2 2 3 5 6 6 8 7 13 18 17 22 25 82 62 32 1 0 6 5 3 1 3 3 1 1 3 2 1 1 3 3 2 3 10 3 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 5 5 2 3 2 4 11 26 100 16 6 6 6 3 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 3 4 3 4 3 10 9 6 6 18 12 9 12 11 3 2 2 3 3 3 2 2 3 2 2 2 2 3 2 2 2 2 6 8 3 2 1 1 2 2 1 1 2 2 15 8 2 7 17 1 2 2 1 2 3 2 1 2 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 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 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 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 3 2 2 2 2 2 1 1 2 2 2 3 4 4 4 4 3 2 1 2 2 1 1 2 3 1 1 92 69 4 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 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 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 dd 1H J 8 17 | 82 81 dd 1H J 17 140 | 34 32 m 1H | 14 13 d 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)C(C)c1cc(O)c2c3c(c(=O)oc2c1)SCC3C
ir: 4 2 1 3 4 2 1 3 4 3 14 22 12 4 2 4 5 2 2 4 6 3 1 3 6 2 2 6 4 7 2 3 4 1 4 4 3 1 3 5 4 4 4 5 3 2 4 5 3 1 2 4 3 1 2 6 5 0 3 4 3 3 5 7 9 20 10 11 30 3 5 8 6 10 4 4 4 3 4 5 3 8 16 100 13 8 4 4 1 2 4 3 3 3 17 17 5 4 5 3 4 9 6 3 1 12 10 8 6 7 8 6 8 10 7 6 5 5 10 7 3 6 9 21 9 3 4 3 3 6 4 3 4 4 27 2 2 2 3 2 2 3 3 2 3 9 5 6 2 2 2 1 2 4 4 2 2 3 43 0 2 4 7 6 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 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 1 1 2 3 2 2 3 3 1 2 3 3 1 1 3 3 1 2 4 3 3 4 5 3 2 4 6 4 3 5 6 8 6 5 21 40 5 7 26 16 3 3 3 2 2 4 47 7 2 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 69 68 d 1H J 23 | 67 67 dd 1H J 7 22 | 31 31 dd 1H J 41 115 | 29 28 m 2H | 27 26 ddt 1H J 63 76 88 | 19 18 m 1H | 14 11 m 15H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCS(=O)(=O)CC1
ir: 3 6 4 10 13 31 5 6 3 2 5 2 2 3 2 2 3 3 4 5 15 31 42 11 3 4 5 6 2 2 2 2 3 3 3 2 3 3 3 3 4 15 10 4 3 3 3 5 5 14 56 8 8 8 20 4 5 3 2 3 3 4 6 5 5 4 5 10 11 13 8 4 4 3 2 4 3 2 4 6 5 4 5 13 12 6 16 59 12 5 6 6 3 5 5 5 4 5 5 29 6 21 31 27 22 24 33 11 11 8 5 3 7 3 3 4 4 3 6 3 3 3 9 12 9 5 7 6 7 7 5 4 3 3 2 9 5 7 9 4 2 10 22 7 3 3 2 2 4 3 2 7 3 10 6 33 33 14 3 0 1 3 2 2 2 6 6 100 4 1 1 2 2 1 1 2 2 2 2 2 1 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 2 2 2 1 1 1 2 2 1 2 2 2 2 2 3 5 18 12 4 4 1 2 3 3 10 57 12 12 29 16 11 7 12 12 8 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 3 3 8 6 13 16 6 2 2 2 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H | 83 83 d 1H J 66 | 76 76 s 1H | 75 75 dq 1H J 8 22 | 73 72 m 3H | 72 72 dd 1H J 32 67 | 65 65 dd 1H J 22 32 | 41 41 t 2H J 66 | 39 38 s 2H | 32 32 dd 4H J 56 73 | 31 30 dd 4H J 55 72 | 28 27 t 2H J 65 | 19 18 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COc2ccc(CO)cc2OC1
ir: 15 9 5 7 12 7 2 10 11 5 3 7 10 5 5 7 11 5 2 12 11 8 5 12 12 4 3 6 7 2 3 7 7 3 5 12 13 7 8 11 7 1 3 8 5 1 4 9 6 4 7 14 9 21 17 28 12 0 6 9 7 9 11 16 10 1 12 13 40 25 38 17 10 3 9 9 7 2 9 10 3 11 13 15 24 24 100 57 37 25 18 17 24 19 10 9 4 4 7 8 5 6 9 7 2 5 9 6 2 5 7 5 1 5 9 5 1 6 10 9 5 18 16 18 16 20 21 8 7 10 10 5 3 7 7 3 2 6 6 3 3 7 8 10 4 7 6 2 7 29 12 3 7 13 11 2 3 7 5 1 6 8 6 1 4 8 5 1 4 8 4 1 4 8 4 1 5 8 4 1 5 7 4 1 5 7 3 2 5 7 3 2 5 6 3 2 6 6 3 2 6 6 2 3 6 6 2 3 6 5 2 3 7 5 2 4 7 5 2 4 7 5 1 4 7 5 1 4 8 4 1 4 7 4 1 5 7 4 2 5 7 3 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 3 3 6 6 2 3 7 6 2 3 7 6 3 5 10 7 4 5 14 10 6 7 11 8 6 10 19 19 11 60 29 62 14 8 11 8 3 70 45 69 19 6 6 4 3 6 7 4 3 5 6 4 3 6 7 5 5 11 7 5 5 7 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 4 2 5 6 4 2 5 6 3 3 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 2 4 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2; 1HNMR: 69 68 m 3H | 45 44 dt 2H J 8 55 | 40 40 d 4H J 9 | 27 27 t 1H J 56 | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)C(Cc1ccc(Cl)cc1)c1cccc(-c2ccccc2)c1
ir: 1 1 1 4 4 1 1 2 1 1 1 1 1 0 1 3 2 1 1 0 1 1 2 0 0 1 1 0 1 5 9 3 6 3 2 1 2 1 2 2 3 33 4 1 3 4 4 14 12 5 8 1 14 10 29 5 3 6 2 2 5 13 9 4 13 6 18 35 4 16 3 1 5 4 15 5 4 3 7 11 8 5 9 9 6 2 7 2 1 1 1 2 0 2 6 2 1 3 2 4 1 1 2 1 1 1 1 0 0 1 3 1 0 1 2 1 3 2 3 4 4 2 6 4 8 4 4 5 5 10 4 10 10 22 17 48 4 4 1 2 30 2 3 25 8 5 13 16 3 0 2 11 4 1 5 1 0 1 2 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 1 1 2 2 0 3 7 9 9 13 69 16 11 7 3 2 2 1 1 2 1 2 3 5 14 21 10 3 3 2 3 4 22 100 6 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 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; 1HNMR: 76 75 m 2H | 75 75 ddd 1H J 13 21 77 | 75 74 m 4H | 74 73 m 1H | 73 72 m 3H | 72 72 dt 2H J 9 79 | 33 32 dh 1H J 53 63 | 32 31 ddt 1H J 9 73 141 | 30 29 m 1H | 29 28 ddt 1H J 9 73 141 | 16 15 d 2H J 55 | 12 11 dd 3H J 15 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H]1CCN(C(=O)OC(C)(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc21
ir: 7 6 6 3 5 3 12 5 8 8 6 13 14 13 2 27 40 7 16 4 7 5 4 2 2 3 4 1 8 7 9 10 16 13 5 3 8 10 3 4 4 55 30 4 2 3 3 2 2 2 2 1 2 2 3 1 2 4 3 2 3 4 5 5 2 3 6 9 19 13 6 2 3 4 3 4 4 5 5 5 6 2 2 2 2 2 2 2 2 2 4 2 5 3 15 7 6 5 3 3 9 13 18 9 47 12 6 3 2 3 6 11 9 4 2 7 16 10 15 20 16 17 62 15 13 10 8 18 14 15 7 6 7 18 5 82 12 1 1 4 7 9 23 30 89 15 10 12 4 8 4 5 8 100 5 0 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 2 1 2 1 2 2 2 2 2 1 1 2 2 2 2 2 2 3 3 4 3 2 3 3 4 4 3 5 5 7 4 15 28 29 14 79 43 12 4 3 4 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 79 78 dt 4H J 16 86 | 75 74 m 2H | 73 73 m 4H | 62 62 dd 1H J 33 60 | 42 41 ddd 1H J 77 104 139 | 40 39 ddd 1H J 77 103 137 | 27 26 dddd 1H J 33 77 104 148 | 25 24 dddd 1H J 60 77 104 148 | 21 21 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1([C@@H]2CCCN2Cc2ccccc2)CC1
ir: 3 10 2 11 10 4 7 12 2 3 4 3 1 2 3 2 1 1 1 1 1 0 0 0 1 0 0 1 1 2 8 5 2 3 3 1 1 1 3 9 10 1 3 1 1 1 1 1 5 1 1 1 0 1 1 1 1 0 1 1 1 2 3 2 1 2 4 4 6 1 1 2 2 1 2 3 6 22 13 4 11 3 4 6 7 10 3 12 4 13 7 3 2 6 1 1 1 2 2 1 1 1 2 3 0 1 1 2 6 6 1 1 0 1 0 1 1 1 2 4 2 4 2 1 1 0 1 1 0 1 4 3 1 1 1 21 2 1 1 0 0 1 6 4 3 1 3 1 1 0 1 3 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 0 2 2 1 6 2 9 3 7 3 3 2 4 2 10 100 23 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 73 73 s 3H | 39 38 d 1H J 123 | 35 35 m 2H | 30 30 ddt 1H J 17 35 119 | 30 29 dq 1H J 19 39 | 27 26 ddd 1H J 16 34 119 | 19 18 m 2H | 18 17 m 1H | 17 16 m 1H | 16 15 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)Nc1sc2ccccc2c1C(C)=O
ir: 1 2 1 2 1 2 10 1 1 1 2 1 0 1 1 2 0 1 1 1 1 1 3 1 1 1 1 1 1 1 2 2 1 2 3 1 1 3 4 3 3 2 3 19 7 4 1 0 2 3 3 5 4 4 7 8 5 13 6 4 2 3 2 3 1 2 2 3 4 2 19 18 7 2 1 1 1 1 1 1 1 1 1 1 2 2 8 9 2 9 2 1 3 2 1 1 1 1 0 1 1 3 1 1 3 3 7 4 2 2 8 15 4 1 1 1 2 3 4 12 17 4 2 2 2 4 2 2 2 3 1 1 1 1 1 1 5 2 1 1 2 1 1 1 1 1 1 5 14 1 1 27 1 1 2 1 1 1 1 2 2 3 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 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 10 12 1 14 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 7 100 17 3 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 s 1H | 81 80 m 1H | 78 78 m 1H | 75 74 m 2H | 33 32 q 2H J 87 | 27 26 s 2H | 14 13 t 3H J 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CC=CCCC(=O)O
ir: 0 0 1 2 3 2 1 3 9 5 5 2 1 3 2 2 4 7 6 32 50 28 50 5 2 1 1 1 0 0 1 0 0 1 0 0 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 0 0 0 1 0 2 5 4 2 2 15 16 16 5 8 4 5 6 5 4 2 1 1 0 1 1 1 2 1 2 2 3 1 1 1 1 1 1 0 0 0 1 0 0 1 1 3 5 3 3 2 5 10 14 12 8 3 2 5 6 1 2 4 2 2 1 1 1 0 0 1 1 0 0 2 9 100 5 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 2 1 1 1 1 1 2 3 9 7 3 3 1 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 m 3H | 56 55 m 1H | 25 24 d 4H J 29 | 18 17 dt 3H J 13 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1cc(C#N)c(Br)c(C#N)c1OC(C)=O
ir: 2 5 6 4 1 4 6 3 4 13 12 4 3 10 46 7 4 10 7 13 4 5 6 4 6 9 8 5 4 7 11 9 3 6 14 3 3 13 5 1 2 7 5 18 17 6 6 5 3 8 11 1 5 7 4 1 4 6 4 1 4 9 5 4 6 8 26 69 31 15 7 5 7 7 10 3 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 8 2 4 6 7 20 11 10 11 12 9 15 4 1 5 6 6 2 6 7 7 3 6 10 12 8 8 17 11 10 44 94 21 8 11 11 4 0 5 6 3 4 14 36 6 4 7 7 3 25 61 100 11 18 7 6 14 3 5 5 2 3 5 4 2 6 22 7 3 3 6 3 2 3 5 3 1 3 6 3 1 3 6 3 1 4 6 3 0 62 3 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 2 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 3 3 6 6 3 6 7 9 2 4 7 6 3 7 9 8 4 6 10 19 15 22 20 8 25 40 9 9 6 6 6 5 3 4 5 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 1 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 77 76 s 1H | 23 23 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.