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CCOC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
ir: 2 1 1 1 1 2 1 2 3 2 2 1 1 1 1 2 2 4 2 3 3 3 6 3 2 2 3 1 2 2 3 3 6 3 2 1 2 2 12 15 16 4 2 1 1 2 2 1 1 1 1 1 3 10 9 1 2 1 1 1 1 1 3 1 2 3 4 12 9 5 7 2 2 1 2 1 1 1 3 1 2 3 8 5 2 2 1 1 4 2 1 1 1 1 1 1 1 4 4 1 1 1 1 2 1 1 1 1 1 2 2 7 3 2 2 1 2 2 1 3 2 3 3 2 3 4 3 2 4 4 2 2 4 3 100 27 13 4 2 1 1 2 7 16 5 3 4 3 3 2 2 14 4 8 9 2 1 1 1 1 1 1 6 3 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 2 2 2 1 2 1 2 1 2 2 5 10 7 21 100 20 14 2 0 1 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 d 1H J 88 | 74 74 ddt 4H J 9 15 72 | 74 73 m 4H | 73 73 m 2H | 68 67 dd 1H J 24 88 | 66 65 d 1H J 23 | 51 51 t 2H J 8 | 51 50 t 2H J 9 | 44 44 s 2H | 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.
CC#CCn1c(N2CCNCC2)c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c21
ir: 3 8 8 6 3 1 0 2 6 4 2 3 2 1 2 4 3 1 1 3 4 2 7 2 1 0 2 3 1 1 1 2 1 0 1 1 1 1 1 2 1 2 3 17 22 8 6 17 27 2 9 26 15 64 10 1 9 1 1 13 9 2 12 5 1 1 1 13 2 0 2 1 3 7 12 11 7 2 2 1 3 1 2 1 2 3 2 5 4 2 2 2 2 1 6 4 4 5 14 2 3 2 3 1 1 2 6 13 3 11 22 9 12 6 6 7 10 5 2 3 9 3 2 6 8 2 2 2 4 13 6 1 1 2 2 1 1 1 7 6 1 1 1 14 1 1 4 3 9 21 7 2 1 10 14 4 9 3 3 15 4 100 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 2 3 1 1 1 1 2 2 6 10 10 11 9 26 6 3 2 1 1 1 1 1 0 1 1 1 1 3 4 4 3 46 45 6 1 2 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 86 m 2H | 81 80 m 2H | 77 76 td 1H J 12 71 | 75 74 ddd 1H J 13 70 84 | 74 73 m 1H | 55 55 t 2H J 9 | 49 48 q 2H J 26 | 36 35 m 4H | 29 29 m 4H | 20 19 p 1H J 33 | 18 18 t 3H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(NC(=O)c2c(O)c(F)c(C)n(C)c2=O)n1
ir: 45 52 47 27 25 28 34 22 6 8 5 6 7 6 8 11 12 15 10 7 9 10 2 4 4 4 5 7 7 6 10 2 4 4 7 1 5 7 7 8 9 11 7 6 7 7 4 4 3 9 17 5 8 2 6 6 10 16 5 3 7 12 19 12 3 2 4 7 8 21 25 17 19 24 21 12 9 4 4 6 16 22 32 46 29 34 17 9 25 11 86 45 15 50 10 7 4 3 2 2 5 5 18 39 38 21 20 14 19 11 9 36 25 18 6 7 7 8 13 15 14 12 14 18 14 14 17 14 5 5 8 7 12 16 20 79 42 100 25 16 5 8 12 10 10 3 3 2 9 7 3 2 2 1 1 1 2 1 1 1 2 7 2 0 1 2 1 0 1 2 1 1 1 2 8 7 2 1 26 6 2 1 1 0 1 2 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 2 1 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 1 2 2 1 2 2 1 1 1 2 1 2 2 2 2 1 2 3 2 1 2 3 16 15 31 10 5 5 3 7 4 5 8 5 8 22 18 40 70 57 33 31 85 59 28 11 4 4 6 45 66 4 3 3 3 2 2 3 2 5 4 6 13 14 6 49 88 15 13 14 7 4 1 4 2 1 1 1 0 1 1 1 1 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 90 d 1H J 46 | 67 66 d 1H J 8 | 37 36 s 3H | 24 23 d 4H J 46 | 22 22 d 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O
ir: 3 3 4 2 1 2 1 1 1 4 4 8 8 2 7 7 6 6 3 5 4 60 100 8 5 6 7 4 4 3 10 19 36 16 3 2 2 3 1 1 1 2 2 1 1 2 2 2 2 0 1 2 2 6 2 2 4 4 3 2 2 2 3 4 1 2 4 2 2 6 7 5 2 2 2 2 1 7 8 21 20 2 3 2 1 1 1 6 3 1 1 1 1 1 2 2 4 1 1 3 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 1 1 2 4 3 17 18 21 5 2 3 2 1 2 3 3 3 0 1 1 1 1 1 1 2 2 2 1 21 20 19 8 3 4 22 10 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 2 2 0 1 1 6 2 1 5 12 1 2 2 1 1 1 1 1 1 1 0 26 84 3 2 0 0 1 1 0 0 1 1 0 1 8 10 31 24 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 63 62 d 1H J 88 | 43 43 dt 1H J 51 88 | 39 38 dd 1H J 49 119 | 37 36 m 8H | 36 35 m 2H | 34 34 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.
CN(C)C=CC(=O)c1cc(NC(=O)OC(C)(C)C)cs1
ir: 14 8 1 10 12 5 3 7 12 7 5 7 10 6 5 12 11 11 3 11 9 3 2 6 7 2 2 6 7 2 2 7 7 2 2 7 6 3 8 12 6 1 3 8 6 10 6 21 19 28 10 47 17 13 12 12 7 5 9 23 11 9 7 9 6 4 6 16 5 3 7 10 6 10 7 13 4 2 6 7 3 2 6 7 3 4 7 7 3 6 11 11 8 5 11 13 5 6 9 9 4 8 15 11 45 21 22 11 6 12 11 6 1 7 10 7 0 7 22 13 5 7 12 6 7 13 16 6 6 8 11 5 3 6 9 3 2 6 7 4 8 7 8 4 5 35 20 14 44 100 71 32 12 7 5 4 5 15 52 14 5 9 8 4 7 9 5 1 4 9 5 0 4 8 4 0 4 8 4 1 5 7 3 1 5 7 3 1 5 7 3 2 6 6 2 2 6 6 2 2 6 6 2 2 6 5 2 3 7 5 1 3 7 5 1 3 7 5 1 3 7 4 1 4 7 4 1 4 8 4 1 4 7 4 1 4 7 3 1 5 7 3 1 5 7 3 2 5 6 3 2 5 6 3 2 6 6 2 3 6 6 2 3 6 5 2 3 6 5 2 4 8 5 2 4 7 5 2 4 8 5 3 9 14 16 14 16 17 27 16 21 14 14 3 7 8 6 9 8 11 4 2 6 7 4 3 6 7 3 9 20 38 25 37 15 7 4 3 6 5 3 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 1 4 7 4 2 4 7 4 1 4 7 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 1; 1HNMR: 77 76 d 1H J 16 | 76 76 d 1H J 16 | 75 74 dp 1H J 11 135 | 65 64 d 1H J 134 | 54 54 s 1H | 29 29 d 7H J 11 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2c(n1)CN(C(=O)OC(C)(C)C)CC2=O
ir: 3 4 4 1 18 10 5 3 1 3 10 7 1 2 1 1 0 1 1 2 2 1 3 1 2 3 2 8 1 1 1 1 1 2 6 8 13 52 7 7 5 2 1 1 1 1 1 1 2 1 1 2 7 2 2 6 10 4 3 3 1 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 0 1 1 1 1 1 1 2 2 2 5 1 1 1 1 2 2 2 1 4 5 5 1 2 1 1 1 2 4 13 7 7 6 6 4 4 9 8 4 3 2 2 4 9 7 2 8 13 7 9 3 2 1 2 5 2 2 3 11 7 3 2 9 18 5 2 1 1 7 100 7 2 12 2 2 2 1 20 5 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 3 1 2 1 1 2 3 1 1 4 2 3 7 13 4 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 97 96 s 1H | 49 48 s 2H | 48 48 s 2H | 26 26 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccc(Cl)c(Cl)c2)CCCc2sccc21
ir: 6 3 2 2 2 2 2 2 3 2 2 3 2 2 1 2 3 2 2 2 10 9 3 2 2 1 1 2 2 1 1 2 3 2 2 2 2 3 6 13 2 2 3 6 15 14 4 3 3 3 2 4 2 0 13 27 2 1 2 2 2 1 2 2 2 3 2 2 6 6 4 3 2 3 4 33 17 3 2 3 2 2 3 5 4 6 5 4 8 16 11 10 7 5 4 3 2 2 2 2 2 4 4 3 2 2 2 2 1 2 3 3 7 4 3 5 7 8 6 4 2 2 3 4 4 9 18 8 12 8 7 4 13 23 6 1 1 8 3 1 1 2 2 2 4 2 2 2 8 9 6 2 2 4 3 1 2 2 2 1 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 6 4 3 2 2 2 2 2 2 8 6 7 17 14 14 26 25 10 4 3 4 100 43 3 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 75 75 d 1H J 23 | 74 74 d 1H J 79 | 73 72 dd 1H J 22 81 | 72 72 d 1H J 55 | 68 68 d 1H J 55 | 43 43 s 1H | 29 27 m 2H | 24 23 ddd 1H J 53 79 143 | 21 19 m 2H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc2c(c1)Oc1ccc(Cl)cc1C21OC(=O)c2ccccc21
ir: 0 6 14 9 6 19 24 19 8 9 8 7 8 15 22 10 7 10 8 6 4 9 8 8 8 8 10 4 6 10 14 8 4 13 6 3 5 10 9 3 7 15 91 10 6 8 8 3 4 7 5 2 12 34 31 16 8 6 8 3 5 11 4 5 8 24 43 30 21 13 14 6 11 12 4 5 50 18 6 10 9 7 6 6 13 22 13 13 15 14 7 8 8 9 7 8 10 9 12 7 10 7 3 4 13 16 1 5 9 19 17 9 15 22 27 20 13 15 9 17 28 17 10 9 9 6 2 5 9 4 4 9 9 6 9 39 12 34 11 8 11 12 4 8 7 17 13 25 26 12 25 52 19 19 22 18 6 4 6 7 7 5 6 20 13 2 5 6 5 1 4 7 4 1 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 2 5 5 2 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 2 6 5 2 3 5 5 2 3 7 6 2 3 7 5 3 5 6 6 2 5 9 8 14 21 21 68 100 70 55 26 6 6 7 5 4 4 6 5 2 4 6 3 2 4 6 3 2 5 5 3 3 5 5 3 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6; 1HNMR: 80 80 dd 1H J 15 70 | 78 77 m 1H | 76 75 td 1H J 14 70 | 75 75 dd 1H J 13 74 | 75 74 d 1H J 21 | 73 73 dd 1H J 22 84 | 72 71 d 1H J 75 | 69 69 d 1H J 82 | 67 66 dd 1H J 21 76 | 66 65 d 1H J 22 | 36 35 q 4H J 71 | 12 12 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOC(CCC#N)OCCCCCCCC
ir: 9 5 2 4 7 12 3 5 7 6 1 3 7 7 3 6 6 4 4 6 19 15 16 6 4 2 2 3 3 1 2 3 3 1 2 4 4 5 15 16 7 8 20 36 13 1 4 4 4 5 5 19 3 4 12 18 10 8 35 28 9 3 7 7 7 5 12 9 11 9 16 13 5 6 5 12 3 56 56 49 11 5 4 4 2 2 4 3 2 2 3 3 2 5 5 6 2 5 4 5 3 3 4 6 4 6 14 30 15 52 29 39 59 41 27 16 21 28 43 74 32 26 18 7 7 11 10 5 5 9 7 7 1 8 6 4 2 4 4 2 1 3 3 2 2 4 3 1 2 3 3 1 2 3 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 6 3 3 2 1 2 4 1 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 3 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 2 1 4 3 1 1 3 3 1 2 4 4 3 6 9 21 34 33 42 16 17 14 9 11 7 10 86 100 37 11 2 4 4 3 3 2 2 3 3 2 1 3 3 2 2 2 3 2 1 2 3 2 1 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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; 1HNMR: 46 46 t 1H J 33 | 36 36 dt 2H J 62 114 | 35 34 dt 2H J 63 113 | 26 25 t 2H J 79 | 21 20 td 2H J 33 79 | 16 15 tq 4H J 63 81 | 14 12 m 20H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1nc(-c2ccccn2)n[nH]1)OCc1ccccc1
ir: 4 10 10 14 4 11 12 8 7 8 4 6 1 2 4 3 4 3 2 3 2 2 2 1 1 1 2 2 4 9 10 7 2 2 1 2 2 2 6 8 31 5 3 1 2 2 2 2 2 1 2 1 3 2 2 1 2 3 2 8 41 100 21 8 8 4 10 7 8 5 4 8 10 7 5 5 4 2 5 3 9 14 18 3 3 4 6 13 5 25 11 9 4 4 9 16 8 16 12 3 2 2 1 2 4 6 4 2 1 6 0 2 4 2 1 2 6 9 12 7 12 14 11 9 7 4 4 3 8 7 6 26 4 4 4 12 7 2 3 7 15 13 37 31 11 14 22 8 3 2 2 4 4 2 1 1 1 5 2 2 1 1 1 6 17 1 2 1 1 1 2 1 1 0 1 1 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 4 5 3 3 4 7 7 12 18 23 77 97 54 24 5 4 4 5 4 5 5 14 39 15 7 2 2 1 1 2 3 4 6 7 9 36 20 10 7 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 dd 1H J 17 41 | 83 83 dd 1H J 14 92 | 78 78 ddd 1H J 17 72 92 | 74 73 m 7H | 68 68 t 1H J 71 | 51 51 s 2H | 46 46 d 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
ir: 4 3 9 29 3 10 3 3 18 4 23 22 12 4 4 4 3 19 9 3 2 25 4 12 3 4 34 7 5 1 1 2 3 3 11 7 5 3 4 11 35 10 28 10 3 2 9 3 2 3 3 6 3 2 12 1 2 3 2 2 3 4 3 3 12 7 5 79 6 3 3 4 5 10 17 33 14 4 2 3 4 34 4 2 4 100 10 3 5 3 4 16 23 5 4 2 2 2 54 4 3 2 5 2 2 2 2 2 2 3 5 39 31 20 1 3 9 6 3 4 6 3 2 3 8 55 14 3 6 32 18 11 2 2 3 4 18 7 0 7 3 2 3 4 36 2 74 7 22 3 5 26 17 3 2 10 3 0 1 3 3 7 2 6 6 82 4 0 2 2 2 1 1 2 2 1 1 1 1 2 1 1 2 2 1 1 1 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 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 2 1 2 2 1 2 2 2 2 3 5 4 3 4 7 12 33 62 38 40 10 5 3 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 83 dd 1H J 13 71 | 81 81 dd 1H J 14 82 | 77 76 m 3H | 75 74 dd 1H J 17 50 | 72 71 dd 1H J 51 62 | 71 70 s 1H | 30 30 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C)(CO)C1
ir: 3 5 2 6 7 8 5 3 5 11 10 7 4 3 4 4 3 3 9 4 2 3 4 3 5 15 9 6 16 19 13 10 5 5 4 5 3 2 4 4 2 2 3 3 2 2 2 2 2 2 2 4 2 2 2 2 2 1 3 3 2 7 4 3 2 2 2 4 2 1 2 3 2 1 3 2 2 1 2 2 3 2 2 2 2 2 2 2 1 2 3 4 3 6 4 6 9 10 18 16 19 21 4 4 2 2 2 2 3 3 3 2 2 7 7 3 3 5 15 8 9 12 8 3 2 2 3 4 10 13 7 12 6 4 4 5 4 4 4 4 2 3 2 2 1 3 2 1 1 5 14 100 7 0 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 3 2 2 3 4 2 2 3 3 3 4 15 21 4 4 4 5 4 16 19 23 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 40 40 m 2H | 39 38 ddd 1H J 42 58 119 | 38 37 ddd 1H J 39 60 119 | 37 36 m 3H | 35 35 d 1H J 119 | 33 32 d 1H J 119 | 15 14 s 18H | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1
ir: 6 4 15 5 6 9 30 5 43 13 9 6 7 5 33 8 16 10 6 7 6 16 30 12 7 11 6 6 5 6 6 6 4 5 6 5 4 10 6 4 9 8 7 6 11 11 7 4 5 6 5 4 5 7 6 18 9 10 5 5 5 7 5 4 5 6 5 4 5 5 5 5 6 6 4 4 5 6 7 5 5 8 4 4 5 5 4 11 5 6 4 5 12 12 4 4 5 5 5 8 4 31 3 4 6 6 7 7 6 5 4 8 13 6 5 5 7 8 9 7 6 5 4 5 6 5 7 8 34 8 5 12 6 5 5 13 9 5 5 17 9 5 11 13 7 6 5 9 5 3 4 9 17 9 7 8 36 100 18 0 4 6 5 11 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 19 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 6 6 6 5 6 7 11 9 23 18 12 11 10 7 6 5 5 5 5 5 5 7 5 5 5 5 6 7 8 8 11 43 37 27 13 11 6 7 6 5 5 5 4 4 5 5 4 5 6 5 5 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 91 91 d 1H J 66 | 88 88 s 1H | 78 77 s 1H | 72 71 m 5H | 66 65 d 1H J 35 | 25 25 s 3H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COC[C@H]2O[C@@H]3O[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
ir: 5 4 0 8 15 5 1 3 15 15 5 4 4 2 0 4 4 3 8 7 6 7 8 5 7 5 4 5 7 8 56 25 15 13 10 9 10 3 30 69 100 34 6 4 10 9 4 5 8 2 2 2 2 4 5 4 4 2 2 3 2 3 8 45 16 14 3 13 18 23 6 7 14 9 16 9 7 29 10 5 9 11 6 4 5 5 12 4 2 30 4 2 2 2 5 6 6 46 17 8 4 3 4 5 5 7 6 5 3 4 3 3 1 6 5 3 3 3 5 4 7 4 4 3 4 6 8 4 4 3 4 3 2 5 13 54 9 4 5 1 2 20 19 32 8 9 8 12 9 2 3 37 4 8 4 2 2 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 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 3 4 7 3 4 3 5 7 6 6 13 23 34 48 71 75 30 13 6 5 3 5 6 5 7 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 2 1; 1HNMR: 74 73 m 15H | 48 47 m 3H | 47 47 m 1H | 47 46 m 2H | 46 46 dt 1H J 10 121 | 41 40 m 1H | 40 40 dtdd 1H J 26 38 52 77 | 39 39 m 1H | 38 37 dd 1H J 53 100 | 36 35 dd 1H J 53 100 | 32 32 ddd 1H J 25 38 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)C(Cl)(Cl)[PH](=O)C1(Cl)C=CC=CC1
ir: 6 3 10 9 8 3 4 2 1 1 1 5 1 1 1 0 1 1 1 1 2 10 2 0 0 1 1 10 1 2 2 6 4 2 4 55 33 30 6 0 0 1 1 2 2 1 1 1 1 0 1 0 1 1 1 1 2 1 0 0 0 2 4 3 5 3 1 3 4 1 3 1 1 3 17 10 4 22 14 4 11 10 3 2 2 1 0 1 1 0 0 0 0 1 0 0 4 1 0 0 1 1 1 1 2 1 1 2 4 21 8 4 1 3 2 3 9 7 4 4 6 1 1 1 1 2 0 2 2 1 3 1 3 15 5 2 0 1 2 7 2 3 2 4 100 3 1 1 1 0 0 1 1 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 2 5 2 1 1 2 1 1 3 10 16 19 29 11 4 3 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 m 1H | 62 61 m 3H | 52 51 hept 1H J 54 | 27 26 m 1H | 25 24 m 1H | 12 12 dd 6H J 7 55
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(c2ccc(Br)s2)S(=O)(=O)CC1
ir: 14 13 7 21 10 15 74 18 12 15 34 47 13 21 5 7 6 10 4 4 4 4 4 4 4 2 2 6 4 1 2 6 4 5 2 10 15 3 4 4 7 5 3 6 5 10 30 12 5 3 5 5 3 0 3 7 8 10 27 12 18 2 6 7 4 1 8 29 27 4 4 19 5 2 3 4 2 1 4 4 2 1 4 4 7 46 95 22 4 5 11 12 8 19 7 4 5 8 5 9 6 12 43 14 12 27 30 26 26 14 4 5 11 20 11 7 10 14 16 24 14 25 18 48 28 12 5 15 18 11 13 12 7 10 10 4 3 9 6 7 3 4 3 2 2 3 5 67 4 3 22 100 12 21 6 0 2 5 3 1 2 5 3 1 2 5 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 3 2 1 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 3 3 1 1 3 4 2 1 3 3 1 1 3 4 2 2 3 3 1 2 3 3 2 2 3 3 1 5 12 4 4 6 12 10 4 10 10 11 18 8 12 54 28 9 8 24 16 20 28 3 1 4 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 70 70 d 1H J 68 | 67 66 dd 1H J 7 68 | 41 41 m 1H | 38 36 m 2H | 36 33 m 4H | 25 24 m 1H | 23 22 dtd 1H J 78 92 135 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC1=C/C(=N/c2ccc(OC)cc2)CCC1
ir: 4 7 9 11 6 12 9 8 18 35 30 15 13 18 9 14 11 32 26 32 3 8 2 2 4 6 2 3 3 6 6 8 4 3 5 2 1 3 3 2 2 2 2 1 1 2 2 0 4 5 5 5 10 14 12 66 100 10 5 8 7 8 6 12 5 3 3 3 9 17 15 8 14 11 13 9 5 2 2 2 2 2 1 1 2 3 5 2 2 2 1 2 2 7 6 10 21 11 3 6 8 3 1 10 6 3 2 3 3 1 2 6 7 28 22 43 9 9 10 6 18 43 20 11 26 26 5 7 24 5 3 2 3 2 2 3 10 18 17 3 4 6 28 52 66 26 16 8 7 21 8 11 10 2 2 2 1 1 1 1 3 31 3 41 7 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 3 4 3 3 5 4 2 3 2 2 9 21 13 34 42 51 30 10 3 2 2 2 2 0 2 2 1 1 1 1 3 2 5 3 4 5 8 16 50 75 35 79 17 8 7 4 1 3 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 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 m 2H | 71 71 t 1H J 61 | 70 69 m 2H | 66 66 p 1H J 9 | 42 42 q 2H J 66 | 39 38 d 2H J 60 | 38 38 s 2H | 30 30 m 2H | 30 29 m 2H | 17 16 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C(F)(F)F)c(-c2cnc3c(N)ccnc3n2)nn1
ir: 4 6 2 3 5 9 14 9 6 4 10 11 31 24 15 19 13 34 12 17 12 14 13 16 2 2 4 1 2 8 31 14 4 1 1 2 3 2 2 5 2 3 0 7 10 3 4 4 9 1 3 9 1 1 1 2 2 4 6 1 2 4 2 10 20 16 15 25 7 58 6 4 9 42 10 8 2 3 2 2 4 10 4 2 1 19 2 0 3 1 1 1 2 6 70 21 7 22 6 33 29 4 9 2 2 33 1 2 2 2 0 11 1 34 11 13 15 25 12 9 88 4 2 3 5 2 2 2 2 3 5 3 12 32 6 1 1 1 1 3 17 3 4 4 5 4 4 2 3 6 3 11 14 33 25 33 7 6 6 17 15 100 8 2 3 1 1 1 1 1 1 1 1 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 3 2 6 3 5 8 36 24 5 6 1 1 1 1 0 1 1 0 0 1 1 0 1 2 6 31 1 2 1 1 3 1 2 2 5 2 12 57 21 1 2 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 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 85 85 d 1H J 53 | 75 75 q 1H J 16 | 72 71 d 1H J 53 | 64 64 s 2H | 44 43 q 2H J 67 | 14 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)NC1CCOCC1
ir: 4 12 7 10 6 13 25 26 26 51 24 27 17 46 75 52 53 57 25 20 7 7 4 2 5 7 5 4 2 4 4 2 2 2 2 1 4 5 18 5 2 3 3 2 3 5 7 8 33 40 21 5 8 3 3 1 1 2 2 2 2 2 2 8 3 3 3 3 8 6 24 14 6 8 14 9 11 18 21 13 3 3 1 2 1 3 2 3 4 18 6 8 5 6 3 6 3 5 5 9 18 21 17 8 8 7 11 26 4 5 4 7 5 24 21 41 11 9 13 27 14 5 17 10 6 4 7 3 3 3 3 3 1 2 2 2 2 3 2 2 2 11 16 15 3 3 4 3 3 3 2 2 2 2 1 1 1 1 1 1 2 2 2 3 3 15 17 39 22 65 46 69 30 25 6 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 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 3 5 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 5 5 3 4 5 4 4 3 3 9 5 7 4 4 3 0 6 17 17 3 100 44 74 7 18 4 6 27 16 49 84 90 71 52 50 16 11 7 15 38 27 37 19 8 4 3 2 2 1 1 1 1 1 1 2 2 3 3 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 67 67 s 1H | 57 57 s 2H | 52 52 d 1H J 60 | 37 37 ddd 2H J 29 57 117 | 37 36 dp 1H J 50 62 | 35 35 ddd 2H J 31 59 117 | 20 19 dddd 2H J 30 50 57 140 | 17 16 dddd 2H J 30 50 57 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(CN(C)C2CCCCC2)cc1C(C)(C)C
ir: 1 3 4 3 2 5 7 6 6 26 6 11 6 6 7 5 3 2 2 3 3 2 3 7 3 5 4 3 12 19 13 7 22 26 33 12 5 14 14 22 17 6 5 5 10 4 7 4 3 3 13 9 32 23 30 42 49 11 6 5 4 6 4 5 6 7 16 6 20 24 24 26 4 6 11 4 5 5 4 4 2 6 22 20 3 1 2 3 5 8 16 22 9 13 14 9 6 8 14 18 7 11 13 13 5 3 2 3 7 16 21 8 3 19 12 4 3 6 11 7 11 8 9 4 3 6 10 5 7 9 6 5 7 12 8 7 8 11 44 7 5 4 5 4 8 13 18 13 12 31 41 39 42 33 10 4 12 27 11 0 2 4 1 0 1 2 1 0 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 6 9 4 3 5 4 4 5 4 5 3 3 5 24 19 17 18 19 51 33 7 2 3 3 2 3 2 1 2 2 1 1 3 3 6 3 5 6 3 6 8 52 100 24 7 11 6 5 4 4 10 7 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 s 1H | 73 72 m 2H | 72 71 ddt 1H J 9 20 79 | 36 36 d 2H J 9 | 27 26 pq 1H J 15 59 | 23 23 d 3H J 14 | 21 20 s 2H | 19 18 m 2H | 16 15 m 4H | 15 13 m 4H | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccc(N(CC3(c4ncccc4F)CCC3)C(=O)OC(C)(C)C)nn2)no1
ir: 2 2 3 5 4 7 4 3 4 4 4 6 3 5 7 3 2 2 3 2 2 2 3 3 3 2 13 3 4 2 1 1 5 1 2 1 2 2 2 7 10 4 3 2 1 1 3 1 2 1 1 2 1 2 2 3 28 5 2 6 2 4 15 1 2 7 2 1 2 2 2 3 11 3 5 5 4 2 2 2 3 3 2 2 6 10 3 2 2 1 4 4 4 2 2 3 2 2 2 2 2 2 4 2 2 2 2 3 2 2 1 2 5 4 2 4 3 5 8 7 3 3 9 6 4 14 2 5 3 3 15 10 2 14 4 3 2 2 5 2 27 2 2 1 4 52 3 1 11 0 4 10 100 7 13 1 3 14 3 1 2 8 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 2 2 1 1 2 2 3 2 2 2 2 3 4 5 5 14 15 21 30 7 13 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; 1HNMR: 84 84 t 1H J 27 | 80 79 d 1H J 79 | 74 73 d 1H J 81 | 73 73 m 3H | 40 39 d 5H J 7 | 24 23 dt 2H J 85 138 | 22 21 dt 2H J 85 137 | 19 17 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C=O)c2cccc3ccccc23)cc1OCc1cccc2ccccc12
ir: 2 1 3 4 1 2 2 4 4 4 8 3 4 4 4 6 6 2 3 6 3 2 1 2 1 1 2 1 1 1 2 2 0 1 1 1 1 1 1 1 2 13 10 3 18 98 22 2 6 17 9 0 1 5 4 4 3 3 3 1 1 4 1 4 3 4 2 3 10 4 9 23 6 3 8 9 4 4 4 17 6 3 1 2 3 2 6 3 2 2 3 5 4 5 15 4 8 5 2 3 1 2 2 3 7 6 14 55 13 5 2 2 2 1 0 2 1 1 1 1 2 2 2 1 2 1 2 2 2 3 2 7 3 4 3 3 13 7 3 7 1 2 2 6 3 2 2 34 6 8 14 29 6 2 1 4 7 15 4 2 5 5 2 3 2 0 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 3 20 28 86 100 18 16 4 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H | 81 81 m 1H | 80 80 m 1H | 79 78 m 4H | 76 73 m 9H | 71 71 dd 1H J 22 81 | 71 71 d 1H J 21 | 69 69 d 1H J 82 | 54 53 s 2H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)(C)C=O)cc1
ir: 3 6 10 6 0 6 8 6 1 5 8 6 3 6 27 22 10 12 10 7 6 7 19 14 4 7 7 1 3 7 8 11 7 18 28 14 9 10 6 2 5 7 7 2 7 7 5 1 6 12 12 6 24 100 35 97 88 24 14 10 12 44 19 24 29 37 34 4 11 20 13 1 7 11 5 4 11 8 4 3 5 5 2 1 5 5 4 3 7 5 1 4 5 7 2 13 15 12 18 7 17 13 4 5 18 13 18 13 8 6 2 9 16 13 4 4 7 5 3 9 13 7 2 5 8 6 6 8 12 8 10 12 11 5 3 5 6 2 1 5 5 1 3 6 6 3 7 20 52 71 82 42 51 35 31 11 8 4 4 6 4 2 3 7 4 1 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 0 3 4 2 1 4 5 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 1 4 4 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 5 4 1 3 8 5 6 5 5 4 0 4 5 3 2 6 11 14 14 19 27 88 84 85 23 13 2 8 5 4 2 3 6 3 1 4 5 2 2 4 4 2 2 3 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 96 96 p 1H J 10 | 73 72 m 2H | 69 68 m 2H | 38 38 s 3H | 15 15 d 6H J 10
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(Oc2ccc(-n3cc(C(=O)N4CCCC4)cn3)cc2)CC1
ir: 4 5 4 5 5 10 7 3 6 9 20 36 9 11 12 3 2 1 4 4 1 5 2 1 1 2 1 1 1 1 1 2 5 2 1 3 2 2 2 3 4 63 75 14 10 5 2 3 2 3 3 7 2 18 22 23 17 24 4 7 7 8 4 3 1 5 7 3 4 6 2 4 3 4 17 9 3 2 2 1 1 1 0 1 1 3 2 15 6 4 2 2 4 1 3 3 2 2 1 1 2 3 1 3 6 8 3 3 4 4 5 15 34 9 9 7 1 7 14 15 8 10 17 22 15 7 13 24 19 6 12 9 15 9 58 55 13 3 3 2 1 2 1 1 1 1 3 21 23 10 57 100 35 39 16 9 1 2 2 5 5 4 2 6 1 1 1 1 1 0 0 0 0 1 0 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 3 4 6 4 3 4 5 2 3 2 5 2 20 37 5 40 62 18 9 12 15 16 10 2 2 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 81 81 s 1H | 76 75 m 2H | 71 71 m 2H | 45 44 p 1H J 45 | 37 36 ddd 2H J 59 86 124 | 36 35 td 4H J 18 36 | 34 33 ddd 2H J 59 86 125 | 23 22 dddd 2H J 45 59 86 131 | 21 20 dddd 2H J 46 60 86 131 | 20 19 p 4H J 19 | 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)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc2c1CC(C)(C)O2
ir: 14 7 6 7 2 3 4 6 5 20 6 11 13 10 5 4 7 12 4 3 7 3 2 1 2 2 2 1 1 2 3 6 6 4 3 3 6 16 16 1 1 2 3 1 1 2 2 2 2 3 4 2 2 9 5 52 13 4 6 1 3 7 7 16 22 100 63 26 28 14 2 2 2 2 2 2 3 3 2 0 3 8 27 9 35 16 11 9 11 5 5 15 9 7 4 3 12 13 7 5 12 8 2 5 9 34 16 11 11 10 4 2 5 9 9 12 3 9 5 20 32 34 8 8 16 12 20 11 15 8 3 2 1 2 5 2 5 7 3 2 1 3 3 1 5 29 29 29 19 20 2 4 14 1 1 3 5 1 1 3 10 9 3 3 2 0 1 2 1 0 1 2 1 0 1 2 2 1 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 6 13 8 6 4 6 3 8 5 5 1 4 9 17 34 27 29 48 72 64 20 9 11 5 4 3 5 6 4 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H | 72 71 dd 3H J 17 96 | 67 66 d 1H J 16 | 39 39 s 3H | 33 32 d 6H J 51 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccc(Cl)cc2-c2nnn[nH]2)cc1
ir: 1 2 2 4 3 2 2 2 2 2 2 2 7 5 22 2 8 2 4 16 5 5 8 6 2 4 3 4 7 4 2 5 2 1 2 1 2 2 1 2 8 11 10 1 6 9 22 9 15 8 10 6 7 15 14 6 6 17 10 3 5 5 4 6 3 6 4 6 11 6 5 14 7 11 5 2 4 7 2 2 1 1 2 2 0 2 4 4 6 10 10 2 4 10 7 7 12 2 6 4 2 1 1 2 3 3 4 3 11 10 3 8 3 2 3 2 3 5 5 3 7 10 8 6 3 3 2 3 2 5 12 6 3 5 8 4 15 16 11 7 4 8 62 61 20 5 3 3 3 9 7 21 41 32 6 16 6 7 5 100 11 1 1 6 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 1 3 3 4 3 3 2 3 3 4 5 9 12 19 40 62 27 13 5 2 3 3 2 4 1 2 1 2 2 1 1 1 2 2 1 1 2 3 2 3 18 22 30 8 5 3 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 26 | 78 77 d 1H J 84 | 75 74 dd 1H J 26 84 | 72 71 m 2H | 71 70 dt 2H J 8 73 | 69 69 d 1H J 9 | 55 54 d 2H J 9 | 28 28 q 2H J 71 | 25 25 s 3H | 24 24 s 3H | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(O)ccc1C(F)(F)F
ir: 5 4 9 7 4 5 4 8 6 11 5 3 3 5 2 6 13 5 3 3 3 3 3 2 3 3 2 2 2 4 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 3 6 17 42 9 1 4 3 2 1 1 4 1 2 2 2 5 10 17 7 4 2 3 3 2 6 4 2 8 17 59 61 37 18 15 9 4 4 1 1 2 3 3 6 11 15 14 11 15 22 22 4 2 3 1 2 3 30 52 10 0 3 3 2 4 2 3 2 5 9 7 6 3 3 3 2 9 5 6 3 3 3 6 3 1 2 2 1 0 2 2 2 5 30 34 14 14 3 2 2 7 31 6 4 6 2 1 1 1 1 1 1 7 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 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 2 2 3 3 2 1 2 2 4 2 5 2 3 4 4 6 2 4 3 2 5 16 15 5 9 100 20 5 3 3 2 8 17 83 47 6 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 0 1 3 3 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 dq 1H J 25 77 | 68 68 dt 1H J 9 20 | 68 68 dd 1H J 22 79 | 58 58 s 1H | 42 41 q 2H J 66 | 37 37 d 2H J 10 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1COC(Cc2ccc(Cl)cc2Cl)(c2cccnc2)O1
ir: 0 1 3 11 1 2 1 3 1 1 3 1 3 3 3 3 5 3 10 2 1 1 3 9 2 1 1 3 2 2 2 2 0 7 62 8 1 3 2 2 3 3 1 1 1 0 2 2 1 2 1 1 1 2 9 23 9 3 1 1 4 3 15 8 53 21 20 3 6 20 3 1 5 3 7 2 2 3 6 2 2 2 3 1 1 3 1 1 1 3 7 6 12 7 5 2 2 3 3 1 1 2 4 3 1 4 1 1 2 1 2 4 18 47 8 5 3 2 2 8 9 3 5 4 12 22 2 2 3 3 2 1 1 1 1 0 1 1 4 23 8 9 6 1 1 1 2 5 20 4 2 10 12 9 7 1 1 0 2 20 2 2 1 1 1 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 1 1 1 1 1 6 7 2 2 1 3 2 2 4 11 4 8 69 100 6 2 0 2 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 t 1H J 17 | 85 85 ddd 1H J 15 22 37 | 78 77 dt 1H J 20 75 | 74 73 dd 1H J 38 75 | 73 73 t 1H J 11 | 72 71 d 2H J 10 | 42 41 p 1H J 38 | 40 39 dd 1H J 38 116 | 37 36 ddd 2H J 38 116 128 | 36 35 d 1H J 165 | 35 34 dd 1H J 38 116 | 34 34 s 2H | 33 33 d 1H J 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(=O)[nH]n1
ir: 2 3 4 3 1 2 3 2 1 7 13 25 3 9 4 2 2 2 3 2 2 12 7 20 3 4 3 24 3 32 3 1 2 3 3 2 2 3 3 1 3 3 3 2 3 4 7 8 21 8 2 3 2 2 3 11 8 100 15 8 7 3 2 2 9 10 11 8 3 3 2 2 3 3 3 2 4 4 2 2 3 3 2 2 3 3 2 2 4 6 3 8 4 3 2 2 3 2 3 3 21 4 20 2 3 2 2 2 3 2 2 2 3 2 2 4 3 4 2 4 3 7 4 10 6 7 4 5 3 3 3 0 7 5 4 3 3 2 2 3 3 2 3 4 8 4 2 3 3 3 9 7 30 15 10 4 3 2 2 3 3 1 2 18 3 10 2 4 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 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 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 3 2 3 5 5 5 12 27 10 15 5 2 3 2 2 3 2 2 2 2 2 2 3 3 3 2 7 6 49 16 36 12 10 5 6 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 78 78 d 1H J 99 | 69 69 d 1H J 99 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc(C#N)cc2cc3n(c12)CCCNC3=O
ir: 5 8 10 7 5 9 10 10 8 9 10 8 7 8 9 8 6 10 9 7 7 13 14 12 6 11 15 13 10 11 8 7 11 12 10 5 8 40 56 49 27 28 19 8 11 10 10 10 10 10 8 7 10 12 8 7 8 10 8 7 8 9 8 8 9 9 12 18 14 11 14 6 10 9 7 8 9 9 7 6 8 8 6 6 8 8 6 7 8 8 6 7 9 9 8 9 9 9 8 7 9 8 7 10 12 23 9 9 13 10 8 14 13 11 6 8 8 11 10 11 17 11 9 10 9 12 16 28 36 10 7 12 11 11 10 19 33 13 8 9 8 7 7 8 8 7 7 7 9 9 8 8 10 19 17 100 96 0 6 13 9 6 8 10 7 4 7 10 7 4 7 10 7 5 7 9 7 5 7 9 7 5 9 9 7 6 8 8 7 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 6 8 8 6 7 8 7 6 7 8 7 6 7 8 7 6 7 9 7 6 7 9 7 6 7 8 7 6 7 8 7 6 8 8 7 6 8 8 7 6 8 8 6 6 8 8 6 6 8 8 6 7 8 8 6 7 8 8 6 7 8 8 7 7 9 9 9 10 9 8 7 9 10 9 13 11 11 15 22 16 25 12 8 8 9 7 8 9 9 9 7 8 8 7 7 8 8 8 8 10 11 13 44 64 18 8 10 13 11 10 9 9 9 6 7 9 8 6 7 9 8 6 7 9 7 6 7 9 7 6 7 9 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 8 8 7 6 8 8 6 6 8 8 6 6 8 8 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8; 1HNMR: 79 79 t 1H J 22 | 73 73 dt 1H J 9 20 | 73 72 d 1H J 22 | 66 66 t 1H J 38 | 42 41 t 2H J 60 | 34 33 td 2H J 38 54 | 28 28 dd 2H J 9 62 | 20 19 m 2H | 20 19 dp 1H J 67 134 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1ncnc2c(-c3ccc(O)cc3)csc12
ir: 4 3 2 2 4 6 6 10 19 9 6 7 5 3 2 4 3 3 3 5 9 8 6 5 9 6 7 8 6 5 7 9 4 8 11 4 5 21 63 77 22 5 6 7 5 2 2 3 2 3 3 5 3 2 35 50 13 6 8 4 4 3 3 4 2 0 2 3 1 4 2 3 4 2 5 9 4 2 11 22 28 54 10 10 7 6 3 5 7 4 3 4 8 22 24 13 1 2 3 2 1 1 3 2 2 7 4 3 2 3 7 5 4 5 2 3 5 7 4 5 5 2 3 2 1 3 4 2 2 3 3 2 3 3 9 6 2 4 3 4 4 10 36 100 13 6 6 12 51 44 28 32 21 27 3 12 16 8 4 0 1 3 2 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 3 3 2 1 2 3 2 1 2 2 2 2 4 3 5 4 17 32 17 9 8 4 3 3 7 28 14 4 2 2 2 1 2 2 2 3 3 3 2 3 4 9 17 22 29 8 2 2 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 84 84 s 1H | 76 76 d 1H J 71 | 75 74 d 2H J 86 | 73 73 m 2H | 69 69 m 2H | 44 43 dp 1H J 60 71 | 13 12 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2)CN1C#N
ir: 2 2 3 8 7 4 3 3 2 2 3 4 9 7 3 4 2 3 4 1 4 1 1 2 2 1 2 1 2 3 2 8 3 4 3 7 3 5 7 2 5 6 8 4 4 4 18 39 24 5 7 7 6 7 4 14 11 2 5 4 2 2 2 2 9 20 20 26 8 4 4 7 2 4 3 4 6 6 7 4 2 2 4 17 8 25 43 19 13 8 5 5 15 12 5 5 1 1 8 6 4 15 12 33 37 10 14 15 8 9 7 10 6 11 5 6 3 3 5 2 5 3 9 27 7 7 1 3 2 2 5 3 4 3 4 1 1 1 4 8 3 1 1 0 2 1 1 1 1 0 1 1 0 2 1 1 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 17 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 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 2 1 2 2 2 3 8 5 3 55 8 8 1 1 1 1 1 1 1 1 0 1 0 0 1 2 1 1 4 11 16 100 28 2 5 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 76 76 ddd 1H J 13 21 79 | 75 75 t 1H J 80 | 63 62 d 1H J 92 | 39 38 ddddd 1H J 11 29 42 54 91 | 36 35 ddd 1H J 10 20 98 | 34 33 m 2H | 21 20 m 1H | 18 17 ddd 1H J 49 65 112 | 13 12 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc2c(c1)CC(=O)N2
ir: 4 1 0 4 9 25 32 10 1 2 2 1 2 4 2 5 6 3 3 3 4 8 11 95 7 1 0 1 2 4 4 7 16 10 3 4 10 17 13 16 11 27 9 10 4 1 4 4 3 4 5 10 9 5 8 18 9 5 2 1 2 1 1 1 1 1 2 8 15 24 2 0 1 2 2 1 1 1 2 3 3 31 5 2 2 8 9 12 5 6 6 1 2 1 1 1 1 3 20 4 2 14 14 4 2 5 4 4 5 3 8 2 2 1 1 3 21 3 3 2 1 2 1 1 5 5 21 9 5 2 1 13 1 1 3 16 1 2 1 2 1 4 9 30 2 8 52 7 24 2 1 5 5 2 4 17 14 43 9 5 1 1 1 7 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 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 1 0 1 1 1 0 1 1 1 0 1 0 1 1 1 2 3 3 3 2 1 3 1 4 2 24 13 20 35 10 16 7 4 2 2 1 1 1 2 1 0 1 2 0 0 1 1 1 4 7 4 3 78 100 9 2 1 2 4 3 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 76 76 dt 1H J 9 27 | 74 74 dd 1H J 21 83 | 73 73 d 1H J 84 | 73 72 m 3H | 72 71 m 2H | 34 33 d 2H J 10 | 32 32 s 2H | 29 28 m 2H | 27 26 m 2H | 26 26 dt 2H J 9 70 | 19 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CC[C@@H](C(O)(c2ncc(Br)s2)C(C)C)CC1
ir: 1 1 1 1 0 1 1 1 0 1 0 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 1 1 1 1 17 0 0 1 0 0 0 1 1 2 2 0 1 1 1 2 1 1 10 4 2 4 1 1 2 2 2 4 1 1 1 1 0 2 1 1 3 1 1 0 0 1 1 3 5 2 2 3 1 2 4 3 3 1 1 1 1 1 0 1 1 2 1 1 0 2 1 3 1 2 2 16 1 1 1 1 1 1 3 3 7 13 24 12 7 7 8 6 6 7 3 6 7 5 8 1 2 1 3 2 1 5 2 1 0 1 0 0 0 0 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 4 2 2 1 3 5 3 4 3 3 6 4 5 16 21 12 5 0 5 7 1 2 3 2 12 100 7 4 2 1 2 2 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 s 1H | 42 41 qd 2H J 11 64 | 35 35 s 1H | 24 23 m 2H | 22 21 m 1H | 19 18 m 4H | 17 15 m 4H | 13 12 t 3H J 63 | 11 11 d 3H J 71 | 11 10 d 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C2(NC(=O)[C@@]3(C)CCCN3Cc3ccc(C(F)(F)F)cc3)CC2)cc1
ir: 1 5 3 2 4 3 2 8 4 3 1 2 3 13 3 7 2 18 22 8 4 8 9 6 5 17 5 3 2 3 2 2 1 4 3 3 11 33 14 10 11 25 11 6 3 1 3 4 2 0 6 6 15 3 5 22 23 8 7 7 4 8 3 3 6 4 10 4 6 5 15 2 6 3 3 5 2 2 3 5 8 19 4 2 2 3 9 4 2 4 6 4 6 3 1 2 4 3 8 21 26 2 6 1 4 7 3 4 4 6 1 6 65 8 4 28 16 16 9 5 6 8 10 15 6 40 59 7 9 22 15 7 10 2 3 2 1 1 1 1 3 2 9 47 12 100 38 14 14 23 7 15 2 6 5 1 1 2 2 4 5 2 2 1 0 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 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 2 1 2 2 2 2 1 1 12 4 6 18 16 24 95 27 3 4 12 8 3 4 3 2 1 1 1 1 1 3 3 2 3 4 5 2 6 9 32 15 6 3 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H | 76 76 dq 2H J 14 76 | 75 75 s 1H | 74 74 m 4H | 39 39 s 2H | 38 38 dt 1H J 9 130 | 36 36 dt 1H J 8 128 | 31 31 m 1H | 30 29 m 1H | 21 20 m 1H | 20 18 m 4H | 18 17 m 1H | 17 16 m 2H | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc(COc2c(-c3ccc4c(c3)COC4=O)ccc(OC(F)F)c2O)cc1
ir: 7 12 5 9 4 10 8 21 9 11 2 5 19 11 2 3 2 2 3 5 3 2 3 4 3 5 4 5 3 3 9 3 2 2 2 2 5 2 2 4 2 3 6 7 3 3 5 2 2 2 2 2 3 6 4 21 5 2 4 4 3 3 7 5 4 2 6 3 2 5 4 7 4 2 9 8 6 11 8 7 9 30 7 13 15 29 23 17 42 56 10 10 5 20 11 5 2 2 4 8 2 4 3 4 2 3 3 3 2 2 3 3 3 3 7 5 1 13 29 43 17 5 3 6 8 9 4 3 2 2 2 5 2 2 2 4 2 3 2 2 2 16 3 2 2 3 15 3 3 33 3 4 4 23 3 2 2 2 2 2 3 2 2 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 3 3 2 2 3 2 3 3 3 3 8 7 25 60 29 5 4 3 3 4 4 4 80 3 3 4 1 0 3 5 2 16 31 4 4 3 8 100 7 5 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 80 d 1H J 83 | 79 78 m 2H | 77 76 dt 1H J 9 20 | 76 75 dd 1H J 21 83 | 75 74 m 3H | 72 72 s 2H | 71 70 d 1H J 92 | 68 68 m 1H | 67 67 s 0H | 53 53 d 2H J 10 | 52 51 t 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)c1cc(C#N)ccc1NC(=O)c1noc2cc(N)ccc12
ir: 32 12 5 6 12 7 6 12 11 10 2 4 6 9 7 7 2 1 2 3 3 1 2 2 2 2 1 3 4 15 8 5 3 2 4 17 15 18 12 3 4 1 5 6 5 11 3 4 3 1 8 5 3 2 9 58 27 7 2 3 4 1 2 2 2 6 26 17 14 1 2 3 1 0 1 2 1 2 3 9 8 1 2 2 1 1 1 2 2 1 2 2 0 3 3 2 0 2 20 3 1 1 7 7 0 1 2 31 2 2 3 2 4 9 8 6 1 2 5 5 9 5 10 4 14 4 4 11 7 4 5 6 8 3 2 1 0 2 2 1 1 2 2 4 3 2 2 4 9 12 2 21 12 6 10 10 100 88 38 5 3 6 4 14 33 3 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 3 0 1 2 0 0 1 1 1 0 1 2 1 0 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 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 1 1 1 3 3 2 1 2 1 1 2 2 2 1 2 5 17 12 8 43 23 5 3 3 2 1 2 2 2 1 1 1 1 1 3 4 7 82 44 8 6 5 9 41 15 3 3 4 3 74 17 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 3 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 87 | 83 82 d 1H J 21 | 78 78 d 1H J 84 | 77 76 dd 1H J 22 84 | 72 72 d 1H J 22 | 68 68 dd 1H J 22 86 | 54 54 s 2H | 16 16 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNn1c(C)c(C(=O)OC)c(C)cc1=O
ir: 8 5 3 5 10 7 2 7 10 30 11 14 13 9 4 8 15 8 6 6 6 6 5 5 6 5 8 13 19 15 15 18 10 6 7 14 11 19 10 13 7 10 15 45 9 3 5 6 6 5 6 6 5 3 6 6 4 4 10 9 4 3 4 5 8 11 13 11 6 4 34 9 25 7 5 6 5 4 5 6 4 6 6 4 3 4 5 5 3 4 5 6 13 23 7 6 6 4 5 5 2 5 8 23 4 4 6 5 6 5 10 10 16 16 76 33 20 40 59 44 15 10 8 7 9 11 7 5 3 6 6 4 3 4 4 4 6 6 6 8 31 43 17 8 5 8 21 11 5 6 6 3 4 6 24 9 7 4 4 5 5 1 9 100 4 9 5 0 4 7 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 4 8 9 5 4 6 7 5 3 5 6 7 3 9 20 36 9 12 11 11 9 12 10 4 3 5 6 4 3 4 6 4 3 5 6 4 4 5 6 5 5 14 16 31 58 26 15 7 6 5 4 4 5 4 4 3 3 5 4 3 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 4 3 3 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2; 1HNMR: 64 64 q 1H J 13 | 55 55 t 1H J 49 | 38 38 s 2H | 28 28 td 2H J 48 56 | 25 24 m 6H | 16 15 qt 2H J 55 72 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1nc2n(n1)Cc1ccccc1-2
ir: 3 3 5 2 1 1 0 0 0 1 0 1 1 1 1 4 3 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 1 2 2 2 2 2 4 10 7 100 50 31 14 10 3 2 2 3 1 2 4 2 4 4 7 3 1 1 5 2 1 1 1 1 1 1 5 4 3 8 11 9 4 17 7 3 2 2 1 2 1 0 1 1 4 17 10 12 15 1 1 1 1 0 1 1 2 2 2 5 2 3 2 1 2 2 9 13 7 6 1 3 4 13 4 4 3 2 4 7 7 3 1 5 3 4 7 2 0 2 1 4 2 2 12 11 11 3 1 1 1 1 2 0 1 1 1 24 15 1 1 1 1 1 1 0 2 3 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 4 1 1 3 3 5 5 4 2 1 3 2 3 5 57 35 10 32 11 3 2 2 1 2 1 2 1 1 1 1 1 2 2 2 2 11 29 29 3 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 14 77 | 77 77 ddt 1H J 9 24 67 | 74 73 m 2H | 58 57 t 1H J 34 | 53 53 d 2H J 10 | 36 35 qd 2H J 33 70 | 13 12 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC1CC2CC1C1C3C=CC(C3)C21
ir: 0 1 7 2 1 2 1 1 2 3 14 2 2 3 1 1 1 1 1 8 1 9 4 1 36 13 1 3 4 2 0 1 1 0 1 2 1 1 1 3 1 0 0 1 1 0 0 1 1 1 1 1 1 2 0 1 1 0 2 7 8 10 6 3 1 2 2 6 1 2 4 7 3 3 1 2 1 2 14 11 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 25 22 18 5 7 4 9 6 9 5 5 8 3 6 3 3 3 2 1 5 2 1 4 13 15 8 14 7 3 6 4 3 3 6 35 6 6 3 6 8 8 6 2 0 5 100 8 2 1 0 4 7 4 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 2 2 2 2 4 5 7 9 5 7 11 10 18 14 17 25 17 8 6 5 5 4 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 61 60 m 2H | 49 48 q 1H J 39 | 31 30 m 2H | 29 27 m 2H | 26 25 dq 1H J 41 51 | 22 21 h 1H J 41 | 21 20 s 2H | 20 18 m 3H | 17 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)CCC(F)(F)F)C(=O)OCc1ccccc1
ir: 3 3 5 5 3 2 2 5 14 14 10 3 4 1 2 2 2 2 1 2 3 6 4 7 10 4 6 3 4 14 21 39 42 58 21 16 9 7 8 37 100 17 18 16 8 0 3 5 3 1 1 3 1 1 2 3 4 2 7 8 3 0 2 3 4 4 3 6 5 9 13 9 13 2 2 3 2 3 4 3 1 10 4 3 1 1 2 2 16 12 10 9 3 4 4 4 2 5 7 4 8 5 12 5 5 19 5 5 2 5 8 4 4 4 6 11 6 11 14 15 19 30 54 27 5 18 16 15 3 4 5 2 2 6 18 48 9 4 2 3 6 6 15 52 26 68 44 30 10 7 4 12 6 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 4 3 6 10 4 2 2 6 8 4 5 11 15 15 43 74 33 27 5 4 3 3 2 3 2 1 1 2 1 1 2 2 3 2 5 5 4 18 14 24 55 7 6 5 3 2 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 75 75 d 1H J 88 | 74 73 m 5H | 52 51 m 2H | 45 44 dq 1H J 68 88 | 26 24 m 4H | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C(C)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
ir: 10 9 10 6 12 10 16 20 7 10 8 4 3 3 2 4 1 2 2 4 1 3 2 3 4 4 4 5 3 1 2 2 1 2 1 0 1 1 2 2 0 0 1 0 0 1 1 0 1 1 3 6 9 4 2 1 2 1 1 1 1 5 3 16 5 15 5 6 12 7 8 5 9 9 8 20 33 47 100 50 39 19 33 7 3 2 7 4 4 2 5 7 12 7 6 4 5 6 7 6 2 8 5 14 17 39 28 7 11 22 17 6 1 3 2 4 5 13 5 12 9 6 8 11 14 8 7 4 3 3 5 4 16 9 3 5 10 15 11 56 5 16 6 2 3 31 65 18 6 2 2 1 1 1 2 1 15 6 6 14 42 4 1 1 1 2 2 6 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 3 3 3 2 2 4 5 4 2 4 5 3 5 24 62 76 56 10 8 3 4 3 2 4 21 18 17 2 2 1 1 1 1 1 1 0 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 d 1H J 167 | 66 65 dp 1H J 10 167 | 60 59 dq 1H J 10 22 | 56 56 p 1H J 14 | 47 46 s 1H | 37 37 s 3H | 26 26 dd 1H J 9 163 | 24 23 dd 1H J 10 163 | 21 21 t 3H J 11 | 19 19 d 3H J 13 | 11 10 d 6H J 24
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)ccc1N1CCO[C@H](C)C1
ir: 8 3 3 4 4 6 2 3 4 3 4 1 1 2 1 3 1 3 1 1 2 2 2 4 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 0 1 5 5 2 1 1 1 3 1 1 1 1 2 3 2 1 3 2 3 4 2 1 2 1 1 2 3 3 3 1 1 1 1 1 2 1 1 2 6 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 2 1 0 0 1 1 1 2 5 6 12 25 21 4 1 1 0 1 10 8 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 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 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 5 5 1 2 5 6 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 8 10 1 1 0 0 1 0 0 1 2 1 100 52 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 m 2H | 64 64 d 1H J 22 | 45 45 s 2H | 40 39 m 2H | 38 38 ddd 1H J 38 60 101 | 35 33 m 2H | 33 32 dd 1H J 14 117 | 30 29 dd 1H J 43 118 | 22 22 s 3H | 13 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2F)C1=O
ir: 2 12 3 25 19 2 15 7 4 4 2 4 3 1 1 4 1 7 4 1 2 7 3 3 2 3 4 8 3 2 1 2 6 12 6 5 6 10 6 3 24 4 4 7 3 1 1 3 3 4 4 12 3 2 2 7 11 8 9 1 2 7 2 1 1 2 3 9 11 34 3 10 3 6 2 2 6 2 1 1 1 2 2 5 4 4 2 2 57 3 2 8 2 4 9 2 27 4 10 23 18 7 5 14 26 9 14 4 11 21 46 22 3 13 12 3 4 7 5 23 9 24 5 8 4 4 2 2 2 1 2 1 2 5 3 4 3 2 3 9 2 1 2 5 18 3 3 3 2 8 2 1 2 17 4 7 3 5 1 2 1 0 1 15 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 5 4 3 3 4 2 2 3 4 2 2 2 4 12 15 12 13 37 66 7 5 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 100 57 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 47 | 81 81 d 1H J 36 | 77 77 dd 1H J 41 98 | 76 76 s 1H | 76 75 m 2H | 74 74 dt 1H J 9 73 | 72 72 dd 1H J 21 72 | 56 56 d 2H J 7 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCc2ccc(N3CCN(C)CC3)cc21
ir: 3 9 7 7 1 4 6 7 4 4 6 2 1 2 4 4 1 4 4 2 4 12 10 15 7 13 63 99 14 2 1 5 5 2 2 3 3 3 3 3 2 2 3 6 4 3 3 7 11 8 4 19 22 22 18 5 7 6 7 4 2 8 3 11 14 8 12 13 40 23 22 22 8 6 4 12 9 5 4 14 100 7 27 11 22 46 23 52 3 5 12 7 9 26 12 5 10 28 14 19 26 14 6 5 2 5 7 4 2 3 3 3 6 6 5 4 5 5 13 9 6 12 3 3 2 4 4 2 3 3 7 8 11 38 7 4 5 3 4 3 15 30 12 4 3 2 3 3 9 26 5 65 26 8 16 11 9 2 2 3 2 1 5 13 60 20 4 0 2 4 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 3 3 3 2 3 2 4 3 6 3 3 5 4 7 8 24 33 28 39 47 33 25 10 5 6 3 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dt 1H J 8 88 | 68 67 m 2H | 41 41 t 2H J 44 | 33 32 t 4H J 46 | 32 32 dt 2H J 48 112 | 31 29 m 2H | 29 28 m 5H | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CNc1ccccc1)Nc1ccc(Cl)c(Cl)c1
ir: 1 5 2 5 7 22 8 4 2 4 3 6 5 5 4 10 2 11 6 15 4 2 3 1 1 4 6 1 1 4 3 1 2 3 2 3 5 3 8 8 4 5 100 31 5 8 3 2 2 3 7 9 12 23 42 5 22 11 2 1 1 2 1 0 1 2 2 18 17 5 6 1 1 2 1 1 1 2 2 9 3 2 0 0 1 2 0 1 2 1 0 1 13 2 1 1 2 1 1 4 2 2 1 2 10 26 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 3 11 5 2 5 2 3 1 1 1 3 5 11 2 2 7 2 9 4 2 12 7 16 51 16 6 4 20 3 4 4 16 38 4 2 1 1 2 2 11 8 3 2 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 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 4 3 11 14 52 20 7 8 1 3 2 1 1 1 3 1 0 1 1 1 1 2 3 3 2 3 10 21 67 39 29 6 4 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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; 1HNMR: 97 97 s 1H | 79 78 d 1H J 21 | 75 74 dd 1H J 22 81 | 74 73 d 1H J 80 | 72 71 m 2H | 68 68 tt 1H J 12 70 | 67 66 m 2H | 60 59 t 1H J 58 | 40 40 d 2H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncc2c(Oc3ccc(OC)cc3)cccc2c1O
ir: 3 5 1 3 10 11 3 9 3 8 6 3 2 2 2 2 2 4 2 2 3 6 6 3 3 9 3 10 9 18 45 63 44 19 43 23 11 8 5 2 2 3 2 4 27 14 2 1 1 3 2 11 22 10 27 33 8 4 5 22 10 5 6 8 2 2 2 0 4 4 2 1 1 2 1 0 1 2 2 1 1 3 1 2 4 3 12 9 4 3 10 23 1 1 1 5 14 16 24 8 5 4 7 31 8 3 23 2 2 8 64 34 7 11 5 19 3 2 2 2 2 1 1 10 1 2 1 2 2 1 4 12 4 2 2 1 2 2 2 8 7 3 1 2 1 1 3 4 35 8 3 0 5 47 1 3 3 1 1 21 2 0 1 1 1 0 14 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 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 1 1 1 1 3 2 3 6 4 16 100 17 11 75 33 50 9 12 7 2 1 1 1 1 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 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 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 92 91 s 1H | 80 80 m 1H | 74 73 m 1H | 71 71 dd 1H J 14 78 | 69 69 m 5H | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNc1nccn1C
ir: 7 17 12 16 4 10 14 13 5 10 14 9 2 10 9 7 3 7 9 4 2 8 9 4 2 8 9 4 5 11 23 20 10 13 16 13 13 31 33 16 21 13 21 10 7 10 7 2 5 11 8 4 7 15 7 4 11 12 9 11 15 18 10 7 20 23 30 9 13 9 9 4 8 12 7 5 9 10 13 10 9 10 7 5 13 15 26 35 27 42 53 15 21 12 11 9 26 20 28 31 18 11 3 15 35 25 25 26 18 15 15 14 15 20 5 16 23 15 17 26 24 44 35 16 26 31 16 14 18 30 19 16 26 11 4 8 18 14 25 31 20 15 11 9 8 3 3 8 7 3 3 8 6 2 3 8 6 1 3 8 5 1 4 8 5 0 4 9 5 0 5 9 4 0 5 9 4 1 5 8 4 1 5 8 3 1 6 8 3 1 6 7 3 2 6 7 3 2 7 7 2 2 7 6 2 3 7 6 2 3 7 6 1 3 8 5 1 4 8 5 1 4 8 5 1 5 8 5 1 5 8 4 1 5 8 4 1 6 8 4 2 6 8 4 2 6 7 3 2 6 7 3 2 7 7 3 3 7 7 3 4 7 6 2 3 8 7 4 5 11 14 10 12 15 14 11 17 11 7 12 18 10 47 29 46 52 81 95 59 87 100 43 13 9 7 4 9 9 6 2 6 8 4 3 29 38 16 33 24 26 8 4 7 7 3 3 7 6 3 3 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7; 1HNMR: 71 71 m 1H | 68 68 d 1H J 40 | 53 53 t 1H J 38 | 37 37 d 3H J 7 | 35 35 td 2H J 40 62 | 28 28 t 2H J 61 | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1nnc(CNC23CC4CC(CC(C4)C2)C3)o1
ir: 5 7 4 4 5 3 7 5 3 4 4 3 3 5 4 3 2 5 4 4 11 4 3 3 3 3 4 5 3 2 3 9 4 3 2 3 3 7 7 8 10 14 21 10 5 3 3 2 5 3 3 5 4 10 8 4 4 11 3 2 2 3 2 3 3 3 2 2 2 6 5 3 3 3 3 12 14 6 2 1 3 3 2 2 3 3 4 2 3 4 6 2 4 3 0 4 13 100 27 12 8 3 3 3 2 2 4 4 4 6 5 6 3 8 7 5 0 20 11 29 15 14 11 7 7 7 13 18 25 6 7 4 10 10 3 4 5 14 4 3 5 6 4 4 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 4 5 3 3 4 6 6 4 6 9 5 3 2 2 3 2 2 3 3 3 2 3 4 4 4 4 4 5 10 9 8 16 26 13 4 4 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; 1HNMR: 42 42 d 2H J 46 | 33 32 t 1H J 47 | 21 20 hept 3H J 53 | 18 18 d 6H J 51 | 18 17 dt 3H J 54 130 | 16 15 dt 3H J 54 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2c(nc(Br)n2Cc2cccnc2)c(=O)[nH]1
ir: 2 3 8 7 3 4 5 5 7 4 8 9 6 3 3 3 16 24 2 6 5 3 12 6 12 10 13 14 18 6 5 10 19 14 13 8 5 7 6 6 5 9 6 3 5 11 7 10 12 13 14 19 14 6 12 18 17 3 6 4 5 7 5 11 7 6 4 19 10 5 6 4 3 2 3 3 1 5 5 3 5 2 3 4 2 2 3 4 1 3 2 5 2 2 2 2 1 3 5 2 2 5 3 2 1 1 3 2 1 3 3 5 13 7 2 2 2 3 4 2 4 6 6 15 10 7 2 10 12 4 3 12 6 8 19 28 28 18 15 13 15 4 1 6 3 2 2 5 4 2 52 38 8 13 7 4 5 11 50 15 9 5 3 0 1 3 1 0 2 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 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 2 1 2 2 1 1 2 3 4 4 6 18 8 9 4 3 3 1 3 3 2 2 4 5 2 1 3 4 5 13 30 52 15 14 14 15 19 7 18 15 100 68 10 8 2 2 3 3 3 2 3 5 3 3 4 2 2 2 2 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 85 84 m 2H | 79 79 dtt 1H J 9 21 68 | 73 72 dd 1H J 43 68 | 62 61 s 2H | 55 55 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1c(C)c(C#N)c2nc(C(=O)N(C)C)oc2c1F
ir: 2 2 2 1 5 4 1 1 3 2 2 6 11 32 100 4 4 4 12 4 1 4 4 1 2 3 3 1 1 2 4 3 1 2 1 0 2 2 1 0 1 2 2 2 10 7 1 2 3 2 1 1 2 4 2 0 1 1 1 1 1 1 1 1 1 1 1 2 4 4 5 3 6 6 3 4 8 13 10 10 4 4 1 2 2 2 1 1 2 2 3 3 4 3 2 1 2 1 0 4 9 11 12 7 0 1 2 1 1 3 34 33 4 2 1 2 3 2 2 3 4 3 2 7 13 9 3 2 4 7 11 6 3 2 2 2 2 4 3 2 9 3 2 1 1 1 1 1 1 1 1 1 1 3 3 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 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 9 6 3 5 7 10 10 4 2 2 2 2 9 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 ddd 1H J 48 106 159 | 57 56 dd 1H J 21 160 | 55 55 dd 1H J 22 106 | 30 30 s 6H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C)CCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
ir: 4 2 1 1 2 6 1 4 2 2 3 1 10 3 9 5 3 2 1 8 5 2 1 6 8 5 1 2 1 4 1 2 5 1 3 1 1 1 5 1 7 5 1 1 4 4 2 3 2 2 2 3 4 27 50 78 14 0 2 5 3 14 4 1 4 6 24 6 15 12 4 18 3 7 3 3 10 2 10 5 2 2 4 3 0 1 21 7 13 5 9 5 7 8 4 28 5 10 18 19 15 8 2 5 13 7 4 3 3 2 4 4 4 5 2 3 0 13 28 7 6 10 7 5 19 6 3 7 2 7 8 11 6 2 3 5 6 4 9 7 18 62 4 5 3 2 4 25 5 13 2 2 8 5 2 1 1 0 0 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 2 2 5 3 4 8 6 7 5 8 9 21 13 24 44 100 22 15 8 3 7 2 2 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 4H | 33 32 tdt 1H J 15 31 73 | 26 25 dqdd 1H J 15 59 75 90 | 24 23 m 8H | 23 22 dt 2H J 78 126 | 21 21 d 3H J 16 | 20 19 dp 1H J 77 123 | 18 16 m 3H | 16 13 m 4H | 10 10 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(OC)c1C(=O)NCCc1ccc(-c2ccc(O)cc2)cc1
ir: 3 3 3 3 6 10 4 8 12 5 4 4 4 3 8 7 3 6 8 3 7 5 1 22 20 10 4 4 3 3 3 6 11 16 20 11 7 7 5 8 12 7 4 5 2 2 14 56 32 10 5 3 11 14 30 4 7 19 5 5 2 6 8 22 1 3 2 2 3 12 3 3 4 7 3 4 4 2 9 31 89 25 3 11 5 2 5 14 11 21 4 3 3 3 2 1 2 2 2 3 2 1 1 1 2 1 9 2 2 3 5 4 1 2 2 1 2 9 2 4 7 3 10 12 9 3 3 5 5 11 15 3 3 6 4 3 2 2 4 9 6 4 16 30 16 34 26 81 9 16 5 11 16 7 2 6 5 71 13 1 2 3 1 1 2 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 2 3 4 4 3 3 4 3 3 3 2 2 2 3 2 1 1 4 4 4 5 20 51 49 45 11 9 0 8 12 37 100 87 3 5 7 1 0 2 3 1 0 4 3 6 7 79 34 17 7 7 3 4 1 3 2 3 5 2 6 3 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; 1HNMR: 76 75 m 3H | 75 74 m 2H | 74 73 t 1H J 83 | 73 72 dt 2H J 9 81 | 69 69 m 2H | 69 69 s 1H | 69 68 d 2H J 83 | 39 39 s 5H | 36 35 q 2H J 52 | 29 29 tt 2H J 9 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC1(c2noc(=O)[nH]2)CC12CCCCC2
ir: 11 6 1 3 3 2 1 2 5 3 1 2 5 1 3 2 2 2 8 22 3 4 4 6 5 19 28 53 30 30 17 12 12 4 13 3 8 8 4 4 8 2 3 2 5 1 3 5 2 0 1 2 9 2 4 5 2 2 1 2 1 1 2 3 1 0 1 2 1 1 1 1 1 2 1 2 4 2 1 1 0 0 1 1 1 2 2 4 1 1 1 1 1 1 2 2 0 1 3 2 1 2 2 1 0 3 3 1 0 2 2 2 3 6 5 2 4 9 4 5 4 2 14 4 5 5 8 5 5 20 7 6 2 4 2 1 1 2 2 2 4 3 9 3 9 18 24 4 25 36 6 1 1 2 2 1 4 19 75 37 11 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 0 2 3 1 1 2 1 1 1 6 13 20 4 2 2 1 2 2 3 1 2 2 2 2 1 1 2 1 0 1 2 2 2 2 4 4 6 11 89 100 15 3 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 83 83 s 1H | 58 58 t 1H J 41 | 40 39 dd 1H J 40 137 | 38 37 dd 1H J 40 137 | 20 19 d 1H J 115 | 17 16 m 3H | 16 15 ddt 1H J 26 63 91 | 15 14 m 6H | 14 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](C)Nc1nc2c(-c3ccsc3)c[nH]c(=O)c2c2cc(F)ccc12
ir: 32 47 7 10 15 6 4 4 4 4 2 5 4 3 1 7 19 11 13 7 31 22 11 6 8 5 7 4 5 6 8 12 11 8 7 19 7 5 7 13 33 4 7 11 6 4 4 4 7 14 6 2 8 13 28 13 6 3 3 3 2 3 10 9 18 7 9 19 17 4 41 12 4 3 12 28 8 8 6 8 1 2 5 4 5 3 3 3 1 1 6 7 2 3 7 16 10 8 10 4 3 4 6 7 26 27 7 6 14 18 43 16 9 7 6 4 4 11 16 3 7 8 6 6 4 4 5 2 11 13 8 27 63 11 5 3 4 5 5 3 12 9 14 77 10 45 29 10 9 6 3 2 2 4 4 1 14 16 3 2 2 2 4 8 1 3 2 1 2 3 2 2 18 4 3 1 2 3 25 25 2 3 2 41 5 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 3 3 13 7 4 2 2 4 3 3 4 9 10 13 26 100 50 55 25 51 60 33 29 11 4 3 2 3 2 1 2 3 1 1 2 2 4 3 3 4 5 15 19 48 41 13 12 5 3 2 3 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 83 82 dd 1H J 25 122 | 82 81 dd 1H J 49 86 | 78 77 d 1H J 68 | 75 75 t 1H J 17 | 74 74 dd 1H J 17 52 | 73 73 dd 1H J 17 53 | 72 71 ddd 1H J 27 86 103 | 68 68 d 1H J 82 | 36 35 m 1H | 18 17 dqdd 1H J 15 51 67 81 | 13 12 dd 3H J 16 68 | 9 9 dd 3H J 15 66 | 9 8 dd 3H J 15 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCCCCCCCCOCC(O)CO
ir: 55 40 7 18 22 27 14 27 26 21 33 26 18 20 15 7 9 12 16 19 16 9 5 2 6 2 5 9 4 3 2 3 4 5 2 3 3 5 4 4 5 2 3 15 8 7 6 7 2 3 3 1 3 6 4 4 3 11 5 4 5 4 4 5 7 14 4 21 16 15 16 11 9 5 7 12 4 5 5 8 2 3 7 10 21 66 39 61 22 18 32 24 23 18 55 15 13 14 2 5 4 2 1 5 3 3 6 12 4 9 6 7 4 5 5 4 3 3 9 9 9 3 3 7 2 3 2 2 2 2 2 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 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 1 2 2 2 2 2 2 3 3 3 4 7 2 2 3 4 4 5 4 7 29 30 6 3 5 4 4 3 1 10 35 31 58 100 13 15 4 0 0 3 3 4 1 2 2 1 1 1 1 0 0 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 0 1 1 0 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 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 39 38 dp 1H J 55 64 | 38 36 m 8H | 36 34 m 8H | 34 33 t 1H J 58 | 34 34 s 3H | 31 31 d 1H J 62 | 16 15 ttd 4H J 47 62 75 | 13 12 m 2H | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=Cc2ccc[nH]2)c2ccccc2N1CN1CCCCC1
ir: 9 10 17 31 5 3 3 8 11 8 3 4 7 27 7 4 4 30 6 7 6 4 4 18 6 4 4 14 8 7 2 6 4 3 5 6 6 4 30 18 36 10 32 35 100 19 13 14 8 12 8 5 6 5 5 45 12 4 3 3 3 4 11 5 4 4 8 3 3 3 5 10 21 6 4 12 18 8 5 4 7 10 66 15 38 13 6 6 4 3 19 10 5 4 6 5 3 3 3 9 16 5 6 17 9 4 14 47 23 5 10 8 5 10 20 8 5 4 5 6 16 5 6 7 11 17 14 11 4 8 14 5 3 12 20 7 6 5 17 28 5 5 18 6 6 14 17 4 7 18 32 19 5 87 7 0 64 6 4 2 3 4 3 2 3 23 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 7 5 5 4 4 4 3 4 6 8 20 18 28 20 81 38 38 20 8 3 4 4 3 3 3 3 3 3 4 5 4 3 3 4 4 5 13 4 6 41 34 38 19 7 4 4 3 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2; 1HNMR: 95 95 d 1H J 66 | 79 79 dd 1H J 12 71 | 77 76 dd 1H J 14 64 | 75 74 s 1H | 74 74 ddd 1H J 13 64 76 | 73 72 td 1H J 13 71 | 71 70 dd 1H J 17 64 | 70 69 ddd 1H J 18 33 66 | 63 62 dd 1H J 32 63 | 44 43 s 2H | 25 25 m 4H | 16 16 m 4H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(CCCc1ccccc1)SCc1ccccc1
ir: 1 1 1 1 1 4 5 5 8 3 7 5 12 8 13 8 8 11 35 24 100 56 15 4 5 3 3 2 2 5 10 8 4 2 2 2 5 10 3 33 15 4 5 2 3 3 5 4 1 1 1 2 3 2 1 1 1 0 1 3 1 1 2 2 2 0 1 3 3 8 3 2 2 4 4 14 13 9 62 25 19 3 3 13 5 14 12 6 8 10 2 1 1 2 1 1 1 8 2 2 2 1 1 1 2 3 2 1 2 1 1 3 13 17 9 7 2 3 2 3 3 2 2 1 1 1 1 1 2 2 1 2 3 3 4 39 1 1 1 2 2 4 10 50 9 50 5 2 2 3 2 2 3 1 1 0 0 1 1 3 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 2 2 2 3 2 1 2 8 3 2 23 9 5 49 25 11 3 0 2 2 1 1 5 90 35 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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; 1HNMR: 100 100 s 1H | 74 72 m 8H | 72 71 ddt 2H J 9 17 78 | 39 38 m 1H | 38 37 m 1H | 36 36 t 1H J 58 | 27 26 m 1H | 26 26 s 1H | 26 25 m 1H | 26 26 s 0H | 22 21 dtd 1H J 58 81 130 | 19 18 dtd 1H J 57 81 129 | 18 17 dp 1H J 79 141 | 17 16 dp 1H J 79 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCl
ir: 2 1 1 2 2 2 4 2 3 1 1 1 4 3 7 8 6 6 17 11 10 11 10 8 9 7 10 17 29 14 10 23 23 13 10 18 7 6 11 5 14 19 42 9 5 7 6 9 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 20 5 2 3 3 1 1 2 2 2 2 2 2 1 1 1 2 3 8 4 6 9 6 7 4 3 6 8 24 32 28 18 5 1 3 2 3 1 8 3 2 1 2 1 1 3 5 2 3 3 3 6 7 8 9 5 8 2 13 8 1 7 4 6 13 9 4 14 5 3 2 1 2 3 16 100 10 26 22 5 3 2 2 2 5 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 2 2 2 1 2 3 2 3 3 7 28 35 25 84 33 35 15 28 26 2 7 5 2 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 72 m 11H | 47 46 ddt 1H J 12 22 75 | 45 44 dt 1H J 9 126 | 44 43 dt 1H J 9 127 | 42 41 pd 1H J 56 69 | 40 39 d 2H J 42 | 35 35 d 1H J 57 | 13 12 dd 3H J 15 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@@H]1CCOc2cc(C=O)ccc21
ir: 7 7 15 13 11 15 7 29 16 10 8 7 14 9 7 6 6 19 10 11 7 10 7 8 16 7 7 7 8 10 12 7 7 5 6 9 6 5 5 11 21 54 14 6 5 7 5 6 6 10 8 73 27 29 73 1 9 11 6 7 45 11 11 4 8 19 10 24 40 63 16 6 15 10 11 6 5 6 5 5 4 5 4 5 6 10 6 4 5 6 11 24 6 8 65 66 12 7 6 6 8 9 5 10 94 18 14 20 12 6 5 9 14 6 6 7 9 12 6 6 8 7 8 21 15 7 18 67 19 31 11 7 9 4 4 5 6 4 3 7 8 8 25 23 6 4 16 52 7 7 6 7 25 8 5 16 16 8 5 5 5 4 5 6 5 4 4 5 4 4 4 5 5 4 5 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 5 5 4 4 5 5 0 46 3 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 8 5 6 12 9 6 9 8 6 8 12 12 8 10 23 14 28 100 53 16 7 6 6 6 6 4 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 99 98 s 1H | 76 75 m 1H | 75 75 dd 1H J 18 79 | 75 74 d 1H J 17 | 44 43 ddd 1H J 31 59 110 | 43 42 m 2H | 24 23 dtd 1H J 31 57 126 | 21 20 dddd 1H J 31 59 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNc1ccc(N)cc1-c1nc2cc(-c3cc4ccccc4o3)ccc2o1
ir: 6 22 3 13 15 8 5 4 5 2 0 5 5 4 1 1 2 1 1 2 3 2 2 6 14 15 5 7 9 10 3 2 5 6 3 7 8 2 5 20 4 4 1 2 2 5 7 4 1 2 1 1 2 10 26 11 1 2 5 1 3 2 1 1 1 4 4 6 9 3 2 1 1 4 2 0 1 2 17 2 2 4 1 1 1 1 1 2 2 1 2 3 2 1 1 1 1 3 1 2 1 0 1 1 2 4 1 1 5 1 2 3 6 1 1 1 5 3 2 3 6 8 3 6 1 4 1 2 4 4 9 3 1 1 0 0 1 2 4 7 5 13 4 8 15 2 1 1 1 13 9 5 19 24 11 21 36 100 27 5 1 3 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 2 3 4 8 10 17 30 12 5 4 2 1 1 1 0 1 1 0 1 1 1 1 2 3 10 20 10 3 8 13 26 26 15 5 9 6 19 32 5 1 2 1 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 23 | 78 77 dd 1H J 22 79 | 77 76 d 1H J 79 | 76 75 m 1H | 75 74 m 1H | 74 74 m 2H | 73 72 m 2H | 70 70 m 2H | 67 67 dd 1H J 22 79 | 48 48 s 2H | 34 33 q 2H J 51 | 19 18 qt 2H J 53 71 | 11 10 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(C(=O)Cc3c[nH]cn3)[C@@H](CC(C)C)C2)cc1OC1CCCC1
ir: 3 7 5 4 4 4 3 9 4 5 5 4 1 2 1 1 2 2 1 2 1 2 3 1 3 2 2 1 2 1 1 6 12 6 21 11 7 6 5 4 2 3 4 5 5 4 6 2 3 1 2 3 3 3 13 18 4 5 14 3 12 4 29 4 5 4 3 13 8 8 13 13 6 9 6 4 6 4 11 8 3 2 3 1 2 2 4 8 24 15 18 8 7 14 10 8 5 17 12 18 9 9 11 9 12 14 31 31 43 23 26 20 21 11 28 12 15 41 37 25 14 18 29 10 12 12 9 23 10 10 13 8 7 6 8 3 4 2 4 2 2 1 5 7 3 6 3 1 2 2 6 12 2 1 4 10 2 0 0 1 1 0 0 1 2 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 0 0 0 1 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 1 2 1 1 1 2 1 1 1 2 2 4 4 5 7 5 5 4 14 13 28 18 11 12 16 25 34 58 70 34 20 100 31 16 16 28 7 8 3 3 3 6 16 4 3 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; 1HNMR: 78 78 dd 1H J 17 60 | 72 71 ddt 1H J 9 18 51 | 68 67 d 1H J 89 | 66 66 dd 1H J 22 88 | 64 63 d 1H J 22 | 48 47 p 1H J 37 | 39 39 dd 1H J 50 60 | 39 38 s 2H | 38 35 m 7H | 35 34 m 4H | 20 18 m 5H | 18 16 m 4H | 15 14 ddd 1H J 78 90 121 | 10 9 d 3H J 68 | 9 8 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCc1c[nH]c2ccc(CCC(=O)O)cc12
ir: 2 1 1 4 2 2 1 4 3 3 3 6 3 4 8 3 6 4 13 10 13 13 17 19 10 5 4 2 2 1 1 1 1 1 2 7 2 2 1 2 2 2 1 1 1 1 1 2 2 1 1 1 1 3 5 4 2 1 1 1 1 0 1 3 2 1 2 3 3 1 2 2 1 1 3 5 7 7 13 20 7 6 4 3 5 4 6 5 3 1 2 4 5 2 2 2 1 1 3 2 2 3 2 1 1 3 2 2 9 3 2 1 2 3 3 1 1 1 2 2 2 3 3 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 1 1 4 4 3 4 5 2 2 1 1 1 1 1 2 2 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 3 2 0 7 14 2 2 4 6 3 1 2 16 39 100 76 9 2 2 3 1 1 1 1 1 1 1 1 1 2 24 7 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 89 d 1H J 70 | 73 72 m 2H | 72 72 dt 1H J 10 64 | 70 70 ddt 1H J 9 20 73 | 31 30 t 2H J 59 | 30 29 m 4H | 27 26 t 2H J 87 | 25 24 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Sc2c(C)[nH]c3cc(Cl)ccc23)ccc1F
ir: 13 14 21 4 14 4 8 4 14 6 3 2 2 3 3 3 7 2 2 2 2 2 3 3 4 4 4 11 49 8 3 2 2 2 7 24 7 2 2 2 2 2 1 2 2 1 2 2 2 2 2 5 6 41 100 1 4 4 2 2 2 4 3 3 3 7 17 12 20 8 2 2 2 3 2 2 3 3 2 2 3 2 6 2 4 25 2 2 3 4 2 2 3 2 1 2 2 4 15 4 4 3 2 3 4 3 4 37 15 55 0 2 3 2 3 2 2 13 5 15 15 3 2 7 13 8 2 3 10 2 1 2 3 2 3 5 3 2 2 12 7 1 2 2 6 5 27 27 5 4 4 98 12 6 61 4 3 1 2 3 2 2 6 4 2 1 2 2 2 1 2 2 1 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 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 2 2 2 2 2 3 2 5 3 4 10 7 43 18 20 19 8 3 3 5 3 1 2 3 2 3 2 2 1 2 2 2 2 4 2 2 3 4 12 13 36 10 7 3 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 s 1H | 79 78 m 2H | 75 74 ddd 1H J 22 37 81 | 73 72 m 4H | 39 38 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#Cc1ccncc1
ir: 5 6 6 6 0 2 7 4 7 8 10 13 10 13 18 11 2 5 8 6 22 13 10 8 8 3 11 16 18 15 9 22 24 19 7 1 5 13 6 25 9 7 11 3 3 1 4 6 19 23 17 14 6 9 10 12 6 4 7 4 5 13 12 42 4 3 1 0 2 4 4 6 33 40 16 6 5 8 4 1 4 4 7 6 3 3 8 2 3 6 32 15 1 3 6 3 3 1 3 3 2 11 9 12 5 3 10 11 6 3 29 50 85 15 4 4 3 3 5 9 10 19 6 9 8 3 1 4 3 8 7 6 2 0 1 2 4 10 12 5 12 15 14 11 3 8 12 17 20 6 9 2 4 7 9 4 21 22 12 32 13 11 1 2 1 0 1 3 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 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 0 2 3 2 2 4 3 2 2 2 3 5 7 15 11 23 100 84 6 12 7 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 s 1H | 86 86 m 2H | 84 84 s 2H | 81 80 d 1H J 91 | 74 73 m 2H | 71 70 d 1H J 90 | 49 49 s 2H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
ir: 2 3 5 3 2 3 7 3 4 10 2 3 3 4 5 3 2 7 3 2 5 5 3 4 2 2 2 1 2 10 5 2 6 5 14 8 5 3 2 2 4 25 20 5 57 18 34 66 32 11 5 24 34 25 26 21 50 11 6 8 3 1 5 9 3 3 2 4 6 26 11 10 12 24 11 14 8 5 5 25 9 3 10 3 5 1 2 4 2 7 4 2 3 2 2 5 5 4 3 2 1 3 2 3 8 7 2 4 3 2 3 22 2 3 2 2 2 2 3 6 22 5 3 3 7 4 3 3 2 2 3 2 11 4 3 9 6 16 34 13 3 6 3 1 11 5 9 14 34 36 12 4 27 7 16 46 39 12 6 6 5 18 8 3 2 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 3 2 1 2 3 2 0 2 5 5 0 12 24 54 70 100 33 19 11 1 1 5 4 2 1 3 3 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 m 2H | 82 82 d 1H J 79 | 80 80 dd 1H J 10 76 | 80 79 ddd 1H J 7 13 74 | 78 77 td 1H J 12 77 | 77 77 dt 1H J 10 73 | 76 75 m 2H | 74 73 m 6H | 70 69 m 2H | 53 52 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C)(CI)COc1cnc2oc3ccc(Br)cc3c(=O)c2c1
ir: 0 0 1 1 1 1 2 6 1 1 0 1 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 1 1 4 0 3 7 1 1 2 1 0 0 4 30 15 2 1 0 0 0 0 1 2 7 1 0 1 0 0 1 4 1 1 2 1 1 2 2 3 0 1 0 0 0 0 0 1 1 0 1 3 1 2 2 0 0 3 1 0 0 0 1 0 0 0 0 1 2 0 0 1 2 0 0 1 1 1 1 1 0 0 1 1 2 0 1 1 8 2 1 0 0 1 1 1 1 5 1 1 1 5 1 16 1 0 1 30 0 1 1 0 0 0 1 1 2 19 2 1 0 0 8 1 0 2 4 100 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 1 1 6 3 3 20 7 2 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; 1HNMR: 81 80 d 1H J 26 | 78 77 dd 2H J 18 115 | 77 76 dd 1H J 25 89 | 73 73 d 1H J 89 | 44 44 d 1H J 115 | 42 41 d 1H J 115 | 37 37 d 1H J 112 | 35 34 d 1H J 112 | 33 32 s 3H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nnc(COC)n1Cc1ccc(-c2ccccc2C#N)cc1
ir: 10 9 1 5 12 5 4 9 6 4 2 10 25 27 30 13 22 9 7 5 7 3 2 6 15 15 14 5 7 4 7 16 25 8 7 8 17 10 22 12 33 44 16 23 56 7 8 10 7 6 5 7 5 7 22 98 44 12 21 17 5 6 7 6 4 3 30 18 6 19 12 19 9 7 8 6 4 8 12 5 3 3 7 10 2 2 6 16 5 27 6 8 3 3 5 4 3 7 9 8 6 4 5 4 1 3 6 5 2 4 6 10 4 10 7 8 13 18 8 9 13 15 23 14 19 8 13 7 6 5 7 4 5 11 11 31 72 28 19 61 12 9 11 5 13 36 87 40 28 22 7 5 18 13 4 0 4 6 4 1 2 5 4 0 2 5 3 0 3 6 3 0 3 5 2 0 3 5 2 1 3 5 6 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 2 5 4 2 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 4 3 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 1 2 4 3 1 2 4 3 2 4 6 4 5 6 10 10 5 6 6 9 6 6 13 36 19 38 100 56 36 18 20 13 7 6 5 7 5 4 5 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 78 77 ddd 2H J 14 69 88 | 76 75 m 3H | 75 75 ddd 1H J 14 63 74 | 71 70 dq 2H J 9 69 | 51 50 d 2H J 9 | 46 45 s 2H | 34 34 s 2H | 27 27 t 2H J 66 | 18 17 dtd 2H J 66 75 141 | 10 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(c2cccc(C(N)=O)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
ir: 2 5 9 9 31 7 4 1 2 4 4 5 3 6 16 7 5 6 9 15 21 9 6 6 3 2 4 5 1 1 1 4 1 2 7 19 9 51 33 23 16 10 10 2 2 2 1 2 3 5 2 3 3 3 16 11 2 1 5 2 3 1 2 1 1 1 2 3 16 13 3 4 2 2 7 3 2 2 3 1 2 1 2 2 1 8 13 33 3 7 1 4 6 2 1 2 2 1 1 1 4 3 4 4 14 13 3 3 1 2 1 2 2 1 1 2 4 3 7 5 5 4 6 3 6 3 2 4 1 6 2 5 4 5 4 16 10 5 7 26 100 12 2 3 3 4 10 10 6 1 2 2 4 23 18 3 10 13 54 13 2 2 3 5 7 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 4 1 1 1 1 1 1 2 1 1 1 2 3 5 6 7 11 21 14 4 3 3 2 0 1 2 0 0 1 3 3 0 2 5 65 62 6 3 8 14 44 41 14 19 6 5 9 59 79 2 4 2 2 4 5 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 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 1 1 0 1 1; 1HNMR: 80 80 d 1H J 22 | 80 79 td 1H J 8 22 | 78 77 m 2H | 74 74 ddt 1H J 9 19 82 | 73 73 t 1H J 79 | 73 72 s 2H | 72 72 s 1H | 69 69 d 1H J 78 | 50 50 m 1H | 50 49 d 1H J 66 | 33 33 s 3H | 24 24 dd 1H J 48 138 | 22 21 dd 1H J 48 138 | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cccc(-c2nc(-c3cccnc3)no2)c1)C(F)(F)F
ir: 3 4 2 4 2 3 3 11 6 36 9 15 18 11 12 3 5 4 2 1 1 2 3 3 13 5 5 2 3 8 14 33 100 24 12 11 5 1 1 2 4 2 2 2 1 0 2 20 4 2 1 1 1 1 3 6 3 2 2 3 1 4 9 34 75 21 4 0 8 26 5 2 1 1 1 1 4 7 7 6 4 14 54 25 24 8 5 5 22 12 8 1 2 1 1 2 8 18 31 11 19 3 0 1 1 1 1 2 1 1 1 12 11 4 1 2 2 3 1 3 3 7 19 28 12 13 1 8 4 5 21 7 3 1 1 1 9 5 4 3 15 32 7 1 2 2 2 1 1 1 1 1 10 9 9 4 1 0 1 1 11 4 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 0 5 4 22 36 27 6 3 1 4 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 d 1H J 20 | 87 87 dd 1H J 18 48 | 84 84 t 1H J 22 | 84 83 dt 1H J 18 93 | 82 81 ddd 1H J 11 22 75 | 81 81 ddd 1H J 11 21 99 | 77 76 dd 1H J 76 99 | 76 75 dd 1H J 48 94
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cccc(OC)c1
ir: 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 4 2 1 2 3 4 1 1 1 2 1 6 1 1 1 1 1 1 0 1 1 1 0 1 3 19 8 30 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 3 5 6 20 5 1 3 3 3 4 4 4 4 2 2 1 2 2 1 2 1 1 1 1 1 1 3 2 1 4 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 2 1 1 2 1 1 1 1 1 1 1 1 1 2 5 4 1 2 2 1 1 1 1 1 1 3 7 7 2 2 1 1 9 12 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 23 100 15 2 1 1 1 2 1 2 1 2 1 1 1 1 2 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1H | 73 73 dt 1H J 16 64 | 69 69 m 2H | 38 38 s 3H | 31 31 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CCON=C(C)c1ccc(NC(=O)NCC(=O)OCC)cc1
ir: 1 1 1 2 3 2 3 3 1 2 3 1 2 3 2 3 2 4 8 5 3 6 3 3 8 6 6 2 1 1 1 2 1 2 1 2 6 9 10 100 47 21 12 4 2 1 1 1 2 6 1 3 4 2 5 4 14 19 3 1 1 1 1 2 1 1 1 2 3 2 2 2 2 4 5 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 5 15 4 2 1 1 1 1 3 1 3 1 3 3 5 15 10 5 15 19 18 7 7 9 3 20 15 5 3 2 2 1 1 1 1 3 6 6 11 4 20 30 4 2 5 16 7 11 17 12 51 22 6 3 2 1 1 0 2 0 0 4 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 3 4 2 2 2 1 2 3 4 8 10 7 13 25 17 4 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 7 5 14 43 41 16 5 4 4 1 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 77 76 m 2H | 76 75 m 2H | 75 74 t 1H J 57 | 58 56 dddd 1H J 40 53 68 145 | 56 55 dddt 1H J 16 32 48 143 | 46 45 dq 2H J 11 49 | 42 42 q 2H J 66 | 39 39 d 2H J 57 | 24 23 s 2H | 17 16 ddt 3H J 10 17 53 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)Oc1ccc(C(=O)OC)cc1
ir: 5 7 5 4 2 4 6 12 7 3 8 6 8 3 26 11 5 2 2 1 1 1 1 1 1 11 5 1 1 1 1 1 3 6 4 1 2 1 1 1 1 1 1 1 1 1 1 3 1 2 1 2 3 8 19 11 10 3 6 6 1 1 1 1 1 0 1 1 1 4 7 3 1 4 2 5 3 8 4 5 4 1 1 1 1 0 1 2 8 3 2 1 1 1 1 3 1 1 0 1 1 1 1 2 3 1 1 1 1 1 2 2 4 4 2 39 27 8 25 11 10 6 5 5 3 16 8 3 5 6 1 1 0 1 2 2 2 1 1 1 2 2 5 86 1 4 2 1 3 5 35 24 5 2 1 1 1 1 1 0 1 1 8 13 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 5 3 6 22 8 17 100 28 4 5 5 1 1 1 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 70 69 m 2H | 44 43 m 1H | 39 39 s 2H | 18 17 m 1H | 16 14 m 2H | 14 13 m 1H | 13 12 d 3H J 58 | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(Br)cc(OCc2ccccc2)c1
ir: 36 28 19 11 20 8 5 6 5 3 2 5 6 4 3 3 8 20 6 4 5 6 5 4 3 5 2 6 13 12 7 7 3 5 6 7 9 12 10 11 4 9 11 5 3 3 4 2 3 4 2 2 5 5 3 3 2 3 1 2 2 2 1 4 8 17 46 25 13 19 4 4 3 2 2 1 2 4 0 2 36 8 4 2 2 1 1 1 9 18 14 8 4 1 1 2 1 6 6 3 12 7 2 2 1 1 1 1 1 1 2 1 1 5 2 2 1 2 1 1 1 2 2 1 1 2 1 2 1 2 1 1 3 3 2 2 4 4 4 3 2 3 12 20 3 2 8 8 5 2 6 13 17 20 100 46 13 5 24 15 6 83 54 6 2 3 2 1 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 3 6 2 2 3 5 15 18 20 48 31 9 5 6 3 2 2 3 2 1 2 2 2 1 2 3 5 31 59 10 1 1 1 1 2 1 2 5 8 40 96 20 5 3 2 1 3 2 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 68 68 t 1H J 21 | 66 66 t 1H J 22 | 62 62 t 1H J 22 | 50 49 t 2H J 9 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C(O)c2ccc(Cl)cc2)c(C(F)(F)F)nn1C1CC1
ir: 10 14 5 9 7 6 5 9 8 11 7 11 29 6 6 5 4 3 5 4 4 9 28 4 4 4 4 6 3 5 4 4 6 2 7 6 8 14 11 6 7 19 11 8 6 5 5 8 10 6 4 2 5 8 18 28 11 0 3 4 3 4 3 4 5 20 4 4 4 16 4 3 3 5 6 7 6 2 5 6 2 8 17 14 13 50 25 67 40 19 34 11 46 11 27 19 4 4 42 19 100 1 14 8 4 3 4 3 2 2 3 3 5 5 10 7 8 10 9 13 4 4 5 5 3 4 5 4 2 3 2 4 4 8 5 8 3 2 3 3 6 33 2 4 5 4 46 26 27 14 20 13 9 5 5 2 4 29 3 1 2 7 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 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 3 2 2 2 2 2 3 3 2 2 2 3 2 2 3 3 2 3 4 3 6 2 3 4 4 4 6 4 17 17 19 13 33 30 27 7 16 15 11 14 17 64 82 23 3 6 6 3 3 4 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 4 2 3 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 2H | 73 72 m 2H | 64 63 dt 1H J 9 52 | 48 48 p 1H J 37 | 44 43 q 2H J 64 | 35 34 d 1H J 51 | 17 16 m 2H | 14 13 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CC2(OCCO2)c2ccc3ccccc3c2S1(=O)=O
ir: 11 3 0 7 18 19 2 4 16 2 18 8 11 3 2 5 5 6 6 8 4 5 2 4 5 25 1 3 3 2 2 7 4 1 1 4 3 3 2 6 10 46 76 4 3 3 4 16 33 7 6 3 3 12 53 17 3 1 10 10 6 2 29 5 16 17 4 4 5 3 12 16 9 35 5 6 2 10 21 7 5 44 7 3 77 52 100 9 4 2 5 4 14 19 12 11 12 12 9 13 17 5 5 7 5 10 26 9 7 4 5 3 0 2 4 3 1 6 5 4 11 9 4 2 2 4 7 2 1 4 8 2 3 6 7 7 21 7 4 1 1 3 3 1 3 4 4 2 2 17 79 24 2 3 3 2 3 58 23 2 2 4 3 0 2 4 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 1 1 3 2 2 3 3 3 1 4 7 5 2 3 5 3 2 4 9 14 15 66 72 64 34 12 9 7 6 4 3 2 2 3 3 2 1 2 3 2 1 2 2 2 1 2 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 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 86 85 m 1H | 80 80 d 1H J 80 | 80 79 m 1H | 76 76 d 1H J 82 | 76 75 m 2H | 41 40 m 2H | 39 39 s 2H | 39 38 m 2H | 34 33 q 2H J 79 | 13 12 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(O)c(C(C)=O)c1
ir: 10 7 7 4 4 4 2 4 4 6 6 15 5 7 9 9 14 24 25 27 18 37 22 46 25 33 25 9 13 12 3 5 6 1 3 3 4 7 22 37 19 9 5 3 5 2 5 6 4 5 6 9 17 58 26 36 16 5 2 4 2 1 3 27 15 4 5 17 15 7 8 10 4 2 4 6 6 3 5 11 6 6 6 17 26 8 19 12 16 13 4 5 4 3 14 33 68 27 25 15 37 40 35 9 4 6 10 10 12 5 4 4 2 3 4 5 10 11 9 13 8 6 8 10 18 14 12 6 5 10 6 4 6 3 3 2 3 3 5 3 8 19 24 44 85 73 84 70 23 12 20 22 4 3 4 6 2 2 2 0 1 3 4 2 3 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 0 0 2 2 0 1 2 1 0 1 2 2 0 1 2 2 0 1 2 1 1 1 2 1 1 2 3 2 1 2 3 2 0 2 3 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 3 3 3 3 4 4 5 2 2 2 3 8 6 22 17 22 50 38 39 13 26 37 100 56 23 10 7 1 4 3 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 78 78 dt 1H J 9 19 | 72 71 ddt 1H J 9 20 88 | 69 69 d 1H J 88 | 37 36 s 3H | 36 36 d 2H J 9 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C(C)=O)=C1SCCCS1
ir: 1 3 3 3 1 4 7 2 0 3 4 2 1 6 85 6 7 4 16 11 8 11 6 2 2 5 10 2 2 3 5 6 2 3 3 3 5 4 6 16 16 37 16 1 3 7 4 0 2 4 3 1 2 3 2 1 5 9 3 9 3 4 2 0 3 3 2 3 7 12 24 48 11 8 4 1 3 3 1 1 3 3 1 1 2 3 2 9 4 11 2 2 3 9 11 2 3 3 1 2 3 2 0 2 4 5 9 21 9 36 13 8 6 13 10 32 17 14 10 18 24 12 2 50 5 4 1 5 7 27 7 4 4 5 2 6 48 9 5 4 3 3 2 3 5 53 17 10 5 3 3 26 58 4 3 2 2 2 1 2 1 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 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 2 2 3 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 3 2 2 2 2 3 3 3 4 10 4 3 3 11 12 7 5 3 9 5 10 37 88 100 28 7 1 3 6 2 0 2 4 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 1 2 2 2 1 2 2; 1HNMR: 29 29 m 5H | 25 25 s 5H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCO)CCCCC[C@@H]1CC[C@@H](N(C)C(=O)Oc2cc(F)cc(F)c2)CC1
ir: 13 4 3 11 4 9 4 12 8 13 36 33 40 32 14 6 11 5 3 5 4 4 7 5 2 3 2 3 2 3 2 2 2 3 2 2 2 3 3 5 3 2 3 2 2 2 2 2 4 3 3 1 2 4 6 11 3 3 6 3 3 1 4 4 4 5 100 23 17 10 2 4 3 3 4 2 3 5 4 9 16 7 6 4 5 8 8 82 19 17 28 10 9 6 4 7 9 5 4 17 6 4 5 5 15 6 5 3 4 6 6 5 19 4 4 5 9 3 6 5 4 6 7 10 6 11 7 14 6 5 4 3 2 5 4 3 2 4 3 3 2 5 2 2 2 2 2 1 2 4 6 49 1 3 2 0 1 8 70 16 13 1 2 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 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 2 1 2 2 2 3 4 5 4 4 2 3 5 3 3 5 5 19 9 32 26 14 8 5 5 4 1 21 43 27 16 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 m 2H | 67 66 tt 1H J 21 121 | 50 49 t 1H J 63 | 37 36 ddddd 1H J 15 34 49 64 77 | 37 36 dt 2H J 53 64 | 29 28 d 3H J 15 | 27 26 t 2H J 53 | 26 25 q 2H J 70 | 25 25 t 2H J 61 | 18 17 m 2H | 16 11 m 16H | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1cc(C#N)cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl
ir: 1 2 7 2 2 3 5 3 0 4 10 5 6 3 6 9 20 14 9 3 4 7 6 4 15 17 7 2 5 3 3 3 3 7 4 2 8 23 8 15 10 8 30 33 32 6 6 1 3 6 7 4 10 12 4 1 2 3 3 4 11 11 5 2 3 6 12 17 19 13 23 16 3 5 3 4 4 4 2 1 3 3 3 5 5 8 8 9 11 13 40 29 9 5 3 5 7 5 13 10 8 19 3 6 8 21 35 4 5 10 6 43 6 3 7 17 7 7 0 5 8 4 15 11 4 5 4 8 10 5 2 3 3 6 3 22 9 3 26 6 3 4 7 4 6 2 3 3 6 2 17 12 8 4 1 3 3 1 2 28 5 2 3 4 72 17 2 1 1 2 2 2 2 1 2 2 2 2 2 2 1 1 2 3 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 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 4 2 3 2 2 3 2 2 3 8 16 12 100 11 38 28 15 15 31 23 24 20 8 6 11 42 5 8 3 3 5 4 6 2 5 8 40 26 6 8 6 4 39 21 4 3 3 4 3 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3; 1HNMR: 94 94 d 1H J 70 | 90 90 s 1H | 86 85 s 1H | 79 79 d 1H J 22 | 74 74 d 1H J 23 | 51 50 m 1H | 37 36 d 1H J 53 | 33 33 dp 1H J 42 68 | 16 16 d 3H J 66 | 9 8 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2cc(CCNC(=O)OC(C)(C)C)on2)ccc(C#N)c1Cl
ir: 8 12 11 11 9 11 22 8 4 18 16 8 13 23 7 8 5 8 11 7 2 9 9 5 2 59 48 65 58 31 32 35 6 9 6 4 12 18 9 2 3 8 8 7 4 7 4 0 4 6 4 2 5 9 12 22 13 6 3 0 5 8 7 7 12 11 9 6 30 18 14 16 18 36 8 9 7 5 4 5 5 7 2 2 5 5 2 3 5 5 1 5 8 8 11 13 11 7 5 6 23 25 0 5 6 4 1 5 8 10 13 16 21 6 3 6 8 8 1 10 16 23 42 11 12 15 9 14 9 8 13 29 26 19 14 46 24 16 14 5 10 21 37 45 100 41 29 37 27 76 25 33 35 18 31 16 6 2 4 6 26 2 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 14 5 2 1 4 6 2 1 4 5 2 1 5 5 2 2 4 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 0 3 6 3 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 2 2 5 6 1 4 8 8 6 6 9 9 5 7 8 10 4 11 15 10 36 61 16 29 43 37 39 22 7 13 9 6 2 5 8 5 6 5 6 2 2 5 6 2 2 9 20 40 20 79 20 4 3 6 4 2 2 5 5 2 3 5 4 1 2 5 3 1 2 6 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 77 76 d 1H J 71 | 76 75 d 1H J 71 | 64 63 t 1H J 9 | 56 55 t 1H J 63 | 34 33 q 2H J 60 | 31 30 td 2H J 8 59 | 24 24 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.
CCOC(C#CCBr)OCC
ir: 3 2 1 2 3 2 2 3 5 2 1 2 2 3 2 3 2 1 1 1 1 1 1 1 1 1 2 4 2 2 2 2 1 1 2 2 3 4 7 7 7 5 4 5 4 6 3 4 3 1 3 4 3 1 1 4 1 2 5 5 2 3 3 5 4 1 6 7 4 6 5 12 17 24 20 33 16 34 33 47 33 100 14 4 3 3 1 2 2 1 1 1 1 2 2 2 1 1 1 1 1 2 1 2 6 7 9 3 1 3 3 6 8 10 13 11 4 7 7 4 4 4 3 6 3 7 2 11 10 13 9 3 2 1 1 1 1 0 1 1 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 5 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 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 0 1 0 0 0 1 0 0 1 0 0 1 1 1 1 0 1 3 3 3 2 3 3 3 3 4 4 5 4 4 18 14 21 33 26 7 2 2 1 2 2 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 49 49 t 1H J 25 | 40 40 d 2H J 26 | 37 37 dq 2H J 52 106 | 36 35 dq 2H J 52 106 | 13 12 t 6H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccccc1)c1cn2cc(-c3cc[nH]n3)ccc2n1
ir: 15 5 15 9 6 3 2 5 8 7 5 3 3 4 3 5 3 4 8 3 4 4 3 2 3 5 5 4 9 12 5 15 4 4 4 2 2 9 21 33 19 10 10 39 67 27 100 21 11 5 7 3 3 4 4 2 4 3 3 3 3 23 5 4 3 5 17 42 14 48 8 0 4 4 9 2 3 4 4 6 16 4 2 4 22 9 5 4 3 3 2 15 6 11 13 8 5 17 4 3 3 5 16 24 35 6 3 3 4 3 1 2 3 3 1 3 3 2 2 3 5 3 3 6 4 5 4 51 14 7 9 5 6 4 17 16 5 3 3 23 42 5 4 4 15 11 69 19 6 18 35 25 14 45 45 8 4 13 5 7 14 16 6 5 5 3 3 3 7 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 2 3 3 3 2 9 13 12 66 19 32 85 75 28 6 5 6 4 3 4 5 4 2 4 3 3 4 5 4 7 5 22 92 41 89 45 5 7 4 2 2 3 3 2 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 91 91 m 1H | 84 84 s 1H | 83 83 dd 1H J 13 93 | 78 78 d 1H J 95 | 78 77 m 2H | 75 75 dd 1H J 16 35 | 74 73 m 2H | 72 71 tt 1H J 13 69 | 60 60 d 1H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)C(O)C(F)(F)F)C1=O
ir: 4 4 3 3 2 2 2 1 1 2 2 3 3 3 9 6 4 8 5 4 9 6 10 4 4 9 11 15 15 22 14 16 22 16 7 5 11 6 16 13 6 6 5 7 6 6 14 23 7 6 7 7 6 4 12 16 8 22 4 4 4 4 2 6 5 3 19 11 4 6 7 6 6 12 9 5 5 2 3 6 2 2 5 5 3 2 3 6 4 7 8 17 17 13 7 18 6 12 18 72 100 61 17 12 9 5 8 12 4 5 2 4 5 3 2 4 4 6 4 2 6 10 10 13 7 6 12 11 20 9 6 14 11 7 5 6 7 6 7 18 14 6 2 6 4 4 25 36 13 96 2 2 6 2 8 3 2 2 1 0 3 2 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 1 3 2 4 4 9 8 8 5 16 35 31 64 26 27 63 45 14 5 9 5 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 74 73 m 5H | 73 72 ddd 1H J 13 22 79 | 73 72 m 2H | 58 56 ddtd 1H J 18 86 114 171 | 51 51 ddt 1H J 13 24 170 | 49 49 m 1H | 49 48 dd 1H J 9 103 | 47 47 dq 1H J 36 72 | 47 45 qdd 1H J 75 83 106 | 41 40 m 1H | 36 35 m 1H | 27 26 m 1H | 25 24 dtt 1H J 13 83 141 | 22 21 m 2H | 20 19 ddd 1H J 57 92 136 | 19 17 dqd 1H J 52 69 121 | 17 16 dqd 1H J 51 69 120 | 10 9 td 3H J 15 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2ccccc2)[n+]1[O-]
ir: 2 5 12 7 3 3 4 2 3 2 2 1 4 2 1 1 1 1 0 1 1 1 2 3 3 10 2 2 3 4 12 3 3 0 1 1 1 1 2 1 51 96 1 2 4 7 41 1 1 2 2 1 2 0 0 1 0 0 1 3 0 0 1 1 1 1 1 5 8 1 1 1 1 8 5 2 2 1 5 24 3 2 1 1 0 1 1 3 0 0 1 0 0 0 1 1 0 1 2 3 1 1 1 1 0 0 1 0 2 3 1 1 0 0 1 1 1 6 5 18 14 6 5 1 0 1 1 1 1 1 1 2 5 2 6 12 2 1 2 4 12 2 10 8 11 10 6 2 13 32 3 6 5 2 1 10 3 1 2 0 1 7 1 0 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 1 1 2 3 6 8 19 100 42 17 2 4 2 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 2H | 75 74 m 1H | 74 74 m 2H | 39 39 s 2H | 37 37 dd 1H J 16 55 | 36 36 dd 1H J 16 54 | 29 29 t 1H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC(=O)n2nc(C)c(Cc3c[nH]c4ncccc34)c2C)cc1
ir: 1 2 1 1 2 3 2 2 2 4 4 3 8 4 4 12 12 4 6 7 3 5 7 12 6 5 6 11 4 3 2 3 3 2 6 5 4 12 100 22 4 3 4 2 10 34 7 0 4 6 3 6 3 5 9 22 4 3 2 2 3 6 20 3 2 4 2 3 10 12 3 2 2 1 2 1 2 2 1 2 2 1 2 2 3 2 9 5 2 3 1 2 2 3 3 2 5 8 8 3 2 2 1 1 2 1 4 11 4 1 1 2 2 3 2 2 3 6 3 6 10 12 3 8 5 4 4 3 7 3 5 4 3 2 3 2 4 7 12 11 12 17 12 25 19 3 4 11 5 3 5 17 15 4 21 43 4 3 3 4 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 1 2 1 1 1 1 3 2 2 1 1 2 3 3 6 8 9 12 37 9 9 5 6 2 3 1 1 2 1 1 1 2 1 1 2 1 1 2 2 3 4 11 13 27 16 18 10 5 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 96 d 1H J 66 | 87 86 dd 1H J 20 38 | 84 83 dd 1H J 21 76 | 73 73 dd 1H J 40 75 | 72 72 dp 2H J 9 82 | 70 70 m 1H | 69 68 m 2H | 51 50 t 1H J 58 | 46 46 dt 2H J 9 57 | 38 38 m 5H | 25 24 s 2H | 23 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(ON1C(=O)[C@H]2CCCC[C@H]2C1=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
ir: 3 2 4 7 4 4 4 3 3 3 6 2 3 1 2 1 1 3 3 2 5 7 2 3 2 6 4 11 24 25 6 11 6 7 13 24 15 11 16 41 37 22 28 30 10 24 5 2 3 4 9 4 2 6 11 3 2 2 3 1 1 1 2 3 2 8 3 2 5 12 2 2 2 4 2 3 3 3 3 1 2 7 7 2 1 1 14 2 4 29 5 2 4 6 4 4 2 6 2 5 18 5 3 1 4 12 3 2 7 5 14 12 34 14 10 10 13 8 5 18 36 9 6 11 12 3 4 3 4 4 8 14 29 43 12 16 9 5 0 2 2 2 13 60 64 30 7 13 1 1 5 5 54 100 9 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 1 0 0 0 0 0 0 1 0 0 0 1 0 1 1 2 1 1 2 5 7 8 4 5 5 11 9 7 20 41 14 8 29 16 12 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 73 73 m 3H | 49 48 m 2H | 48 48 m 1H | 39 38 dtd 1H J 26 42 69 | 38 38 dd 1H J 25 105 | 36 35 dd 1H J 44 106 | 30 29 m 2H | 22 21 m 2H | 20 18 m 4H | 17 16 dddd 4H J 14 33 70 158 | 16 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)c[nH]2)C(F)C1
ir: 1 4 3 3 3 1 4 3 2 4 3 3 2 2 2 1 2 1 1 0 1 0 1 0 0 2 0 0 0 0 0 0 0 0 1 2 6 3 1 1 0 0 1 3 1 1 1 1 0 1 1 1 2 22 24 2 9 9 13 7 6 15 13 4 5 7 11 15 8 3 2 1 1 6 7 2 5 2 2 1 1 1 1 1 1 1 7 10 5 9 9 3 2 11 12 6 7 18 70 19 18 32 6 5 8 28 22 10 2 6 32 40 18 18 14 12 12 7 17 31 18 21 14 12 8 9 23 17 13 31 26 9 6 7 3 21 2 2 3 1 0 2 10 53 7 3 7 2 2 1 39 5 2 0 5 3 2 0 1 1 1 0 0 0 1 2 0 1 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 2 1 1 4 5 5 9 11 7 7 12 5 15 13 17 11 12 23 24 100 8 45 46 40 54 16 4 2 1 1 2 2 2 26 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 60 | 81 80 ddt 1H J 13 25 35 | 77 76 ddd 1H J 21 39 79 | 73 73 dd 1H J 79 101 | 67 66 d 1H J 59 | 50 49 q 1H J 41 | 49 48 q 1H J 41 | 40 39 ddd 1H J 43 131 172 | 39 36 m 3H | 33 32 dtd 1H J 39 49 136 | 25 24 m 1H | 22 21 ddddd 1H J 34 50 75 105 135 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc(CCC(C(=O)OCC)C(=O)OCC)cc1
ir: 9 8 5 11 2 3 9 5 42 15 34 8 5 11 10 12 1 2 9 9 2 1 1 1 1 1 0 1 0 1 2 6 1 1 2 1 16 3 3 6 7 3 3 3 4 2 3 2 7 5 3 1 4 9 13 32 20 12 9 5 2 1 1 3 10 2 1 5 5 21 3 4 4 4 20 3 7 2 1 0 1 1 0 0 1 1 1 2 1 1 0 1 9 8 26 9 10 7 4 4 1 3 5 3 1 2 2 2 8 5 7 13 38 21 5 10 56 22 26 21 17 12 5 6 4 8 5 7 2 4 5 2 1 6 5 1 2 2 2 1 1 2 4 2 3 12 69 48 82 4 7 2 5 1 0 1 1 1 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 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 1 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 1 2 3 4 4 10 6 7 3 6 9 9 11 11 52 54 21 100 60 19 9 7 4 6 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 dp 2H J 9 77 | 67 67 dt 2H J 9 81 | 43 41 p 4H J 64 | 34 33 m 1H | 28 27 tt 2H J 9 82 | 26 26 tt 2H J 9 79 | 22 21 q 2H J 84 | 17 16 m 2H | 13 12 m 16H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(-c2cccc(C#N)c2)[nH]c(C=O)c1C(=O)OCc1ccccc1
ir: 5 5 9 5 3 3 1 3 10 31 15 11 17 14 3 5 5 3 4 2 3 3 1 2 2 2 1 4 5 19 18 7 4 12 6 16 4 7 13 9 84 11 4 5 2 0 3 5 17 49 24 5 2 0 2 5 3 0 1 2 1 0 2 3 1 1 2 8 13 20 4 5 9 3 4 15 3 3 15 3 2 1 3 2 1 5 13 3 8 27 4 5 1 2 3 2 1 15 7 3 2 3 2 3 2 2 2 2 1 3 5 6 32 32 16 29 16 24 9 6 3 4 5 3 7 13 18 14 3 3 3 1 4 4 14 19 13 7 5 22 12 19 5 6 9 10 15 6 15 42 7 7 10 57 7 5 2 2 1 1 1 7 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 6 0 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 3 3 1 2 7 10 27 23 100 48 4 18 6 3 2 4 3 1 1 2 2 1 1 2 2 1 2 4 5 3 2 9 6 4 9 37 83 11 2 2 3 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 t 1H J 22 | 78 77 ddd 1H J 12 21 64 | 77 76 ddd 1H J 13 22 66 | 76 75 t 1H J 65 | 74 73 m 6H | 56 56 d 1H J 17 | 56 56 s 2H | 27 26 q 2H J 74 | 14 14 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc2c(c1)CCC(C(NC(C)=O)(C(=O)OCC)C(=O)OCC)C2O
ir: 4 2 1 2 3 7 2 2 3 2 7 2 3 2 2 7 2 2 1 1 1 1 1 1 1 5 1 0 1 4 2 5 1 3 2 4 2 5 22 4 1 4 4 3 1 2 1 1 0 1 1 1 4 1 3 2 1 1 1 1 0 3 3 6 2 2 2 3 3 3 2 1 3 2 1 1 2 4 4 5 2 5 11 8 10 15 2 5 12 3 2 1 4 6 2 1 1 2 2 4 10 2 1 2 3 4 6 3 8 20 6 7 1 5 1 6 10 2 4 6 2 2 3 3 4 2 1 1 5 4 2 1 1 1 1 4 3 2 1 1 1 2 7 11 100 45 29 6 2 3 8 0 0 2 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 4 13 15 12 2 3 3 1 2 4 10 7 7 8 7 3 2 1 2 6 5 38 52 1 1 1 0 0 0 1 0 1 2 2 5 11 6 22 39 22 6 3 7 3 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 71 70 ddt 1H J 8 19 79 | 68 67 dq 1H J 9 18 | 51 51 m 1H | 43 42 m 4H | 37 37 d 1H J 46 | 33 32 dt 1H J 67 79 | 30 29 dddd 1H J 8 62 88 142 | 29 28 dddd 1H J 9 64 90 143 | 26 25 tt 2H J 9 81 | 22 21 ddt 1H J 65 90 146 | 20 20 s 2H | 19 18 m 1H | 16 15 m 2H | 13 12 m 10H | 12 12 t 6H J 61 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccc(Br)c3ccccc23)COC1
ir: 30 19 7 10 35 28 26 11 8 3 7 5 5 3 4 3 2 2 2 1 1 2 7 3 1 2 5 2 2 2 3 13 19 3 2 1 1 7 6 2 4 8 35 85 100 4 4 3 5 5 6 46 68 47 36 9 7 30 16 7 6 3 2 3 3 4 2 3 2 10 5 5 10 15 15 25 20 13 37 55 45 9 16 59 77 31 19 20 10 10 6 3 3 2 3 5 2 6 20 24 5 2 2 5 7 10 4 3 5 6 9 33 25 5 4 2 3 3 0 2 11 19 37 5 3 1 1 8 7 4 5 6 8 15 6 4 4 3 2 2 15 7 2 2 3 5 5 4 22 10 63 45 8 5 3 2 6 14 8 3 5 5 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 0 1 1 1 0 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 4 4 3 1 3 4 10 8 2 2 1 7 6 7 14 82 73 85 41 25 36 6 2 13 53 38 5 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 3 3 2 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 m 1H | 81 80 m 1H | 77 76 d 1H J 83 | 76 75 td 1H J 13 76 | 75 74 ddd 1H J 13 69 80 | 72 72 d 1H J 83 | 45 45 d 2H J 106 | 43 43 d 2H J 106 | 42 41 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOc1ccc(C=CC(=O)c2ccc(C(=O)OCC)cc2)cc1
ir: 9 4 6 3 2 3 2 2 4 2 5 8 5 4 6 7 4 6 9 5 3 2 2 1 0 1 1 0 1 2 2 1 1 4 2 1 2 2 2 3 3 3 4 1 1 1 3 10 10 9 9 5 6 29 4 4 4 5 6 42 2 1 2 1 1 2 1 4 5 10 8 1 2 1 3 0 1 0 1 1 7 1 1 1 2 1 1 1 4 1 1 1 1 1 1 1 2 2 4 1 1 1 2 3 6 3 2 2 3 6 4 6 7 4 8 6 21 11 6 2 5 5 4 3 2 10 6 3 5 2 1 0 1 1 1 5 11 8 9 4 9 8 8 7 16 20 12 20 12 2 6 5 24 2 2 2 2 3 6 1 1 0 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 2 1 1 1 0 1 1 1 3 4 9 20 7 33 100 13 9 3 2 1 2 1 0 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 80 79 m 2H | 78 78 dd 1H J 9 159 | 75 75 m 2H | 74 74 d 1H J 159 | 71 70 m 2H | 44 43 q 2H J 64 | 36 35 t 2H J 58 | 18 17 tt 2H J 57 74 | 15 14 m 7H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCNS(C)(=O)=O
ir: 5 11 4 6 4 1 3 2 2 2 3 2 2 1 1 2 1 3 2 1 1 1 1 1 1 1 3 9 13 10 12 11 3 4 6 5 3 4 4 6 2 2 1 1 3 3 6 6 11 22 8 2 4 4 6 1 4 5 5 10 3 1 2 1 1 1 3 0 4 14 10 1 2 4 7 7 1 1 1 1 1 0 0 1 1 1 0 5 26 2 1 1 1 5 9 3 1 0 3 3 2 3 6 22 14 29 34 16 2 9 0 3 4 2 4 2 2 6 2 5 8 11 4 2 5 4 3 2 4 4 18 9 2 3 3 2 1 0 1 1 3 3 3 19 25 4 5 1 3 27 6 2 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 2 1 1 1 1 1 1 1 0 1 1 2 20 9 3 4 2 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 2 1 1 5 9 100 91 19 31 8 7 2 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 56 56 t 1H J 71 | 53 52 t 1H J 51 | 34 33 q 2H J 51 | 32 31 dt 2H J 51 72 | 29 29 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.
OCCC1COc2cscc2O1
ir: 23 27 8 13 10 12 10 3 3 3 2 1 1 2 2 2 2 2 1 1 2 2 2 1 1 1 2 2 1 2 2 2 2 3 3 2 3 2 3 2 2 3 2 3 2 2 1 3 3 5 11 1 2 3 3 4 8 41 38 32 3 3 3 1 1 13 4 17 3 12 13 0 1 4 2 21 36 7 1 0 2 2 0 0 2 3 0 4 21 50 71 20 7 11 7 4 1 1 3 1 1 1 3 12 4 6 7 5 1 2 1 6 1 8 4 7 4 3 3 2 2 2 2 2 2 1 2 2 2 2 4 5 3 1 1 1 1 2 40 12 15 3 12 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 2 2 2 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 5 8 3 2 4 2 3 4 10 17 4 1 4 18 17 27 5 22 100 92 73 10 5 2 1 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 68 68 d 1H J 16 | 68 67 d 1H J 16 | 46 45 tt 1H J 36 62 | 44 44 dd 1H J 35 117 | 42 41 dd 1H J 37 117 | 38 37 m 1H | 37 36 m 2H | 22 21 m 1H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C1CCN(C)c2ccccc21
ir: 2 2 2 2 2 2 3 5 10 20 9 2 1 3 7 4 4 2 3 3 2 4 10 5 2 3 3 4 3 2 2 1 1 2 3 4 4 5 2 1 4 12 40 46 25 0 2 3 2 1 2 3 2 1 2 2 2 1 4 8 5 7 7 4 3 4 4 7 8 12 9 7 4 5 7 11 4 3 3 2 2 3 5 9 3 2 3 3 4 8 10 11 9 7 8 3 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 4 5 3 3 3 3 2 4 3 2 3 5 5 4 9 16 9 5 8 6 5 8 5 3 3 3 7 12 12 7 2 3 2 2 3 3 8 16 13 5 4 44 100 3 5 5 5 2 3 6 8 12 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 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 3 2 2 3 4 4 4 3 2 3 2 3 4 8 11 14 69 38 12 3 4 4 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 2 2 2 2 2 2 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 dd 1H J 16 76 | 74 73 td 1H J 15 79 | 72 71 td 1H J 15 76 | 67 67 dd 1H J 14 75 | 40 40 s 3H | 37 36 m 2H | 30 30 s 3H | 29 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c[n+]([O-])c3ccccc3c2n1CCCCNC(=O)OC(C)(C)C
ir: 16 8 5 4 4 2 1 1 2 3 6 1 2 3 6 2 1 1 1 1 1 1 1 2 2 2 9 21 49 17 5 8 7 0 2 11 6 1 7 16 20 6 5 10 6 18 9 2 3 1 1 2 1 0 1 2 1 0 1 2 2 5 2 2 1 1 2 2 2 4 2 1 2 2 3 7 4 2 1 1 1 1 3 3 1 2 3 2 1 0 1 1 0 1 2 2 1 4 7 3 1 4 1 1 1 1 2 1 1 3 7 13 3 5 7 7 6 5 7 6 8 6 7 2 2 3 8 4 11 8 9 10 4 16 16 3 17 6 8 2 2 7 5 9 39 100 7 6 8 78 4 5 39 3 1 0 1 3 1 0 1 2 5 4 1 2 6 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 3 1 2 2 2 5 3 1 1 2 3 3 6 15 21 22 35 46 14 9 2 5 2 1 2 2 2 2 3 3 1 1 1 1 1 1 2 1 1 2 33 23 47 5 2 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 51 50 s 1H | 48 48 t 1H J 49 | 38 38 dd 1H J 16 57 | 35 34 dd 1H J 16 62 | 31 30 m 2H | 30 29 t 2H J 69 | 28 27 ddd 1H J 16 46 60 | 24 23 ddd 1H J 16 46 62 | 19 18 m 2H | 18 18 s 3H | 17 16 tt 2H J 55 75 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)NC(=O)c2cc(Br)sc21
ir: 16 7 0 2 4 9 2 4 16 5 1 3 3 2 1 3 3 2 1 3 3 9 44 10 8 1 1 3 6 1 14 3 3 1 1 3 2 1 1 3 10 4 14 95 56 0 1 4 2 0 2 4 2 0 2 3 2 1 2 4 2 1 2 9 5 0 2 3 1 1 2 3 1 1 3 3 4 2 3 3 1 2 9 4 1 1 3 2 1 1 3 3 1 2 3 2 1 1 4 3 2 1 3 2 0 1 4 2 4 34 4 2 1 21 3 2 1 2 4 5 1 3 5 2 1 2 6 3 12 4 100 6 1 3 3 1 1 3 3 1 1 29 8 4 3 3 2 1 1 3 2 1 27 17 4 2 4 4 4 43 6 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 4 2 1 1 3 2 1 2 3 3 1 4 4 7 1 3 4 3 26 12 3 2 1 2 2 2 1 2 3 1 1 2 3 3 2 3 9 3 5 4 81 7 2 3 3 2 1 4 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 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 76 76 s 1H | 73 73 s 1H | 19 18 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2ncnc3cnc(N4CC5C(N)C5C4)cc23)ccc1Oc1ccccc1
ir: 1 1 1 1 3 3 1 2 1 3 6 9 5 2 3 2 2 1 1 3 1 1 2 1 2 2 1 2 1 2 3 14 18 11 4 1 3 7 12 11 9 4 6 4 2 1 2 4 20 31 8 4 2 3 2 11 15 4 3 3 3 3 2 6 7 7 5 12 6 1 1 5 1 1 1 1 2 8 4 6 25 2 1 1 1 2 3 3 1 12 1 1 2 1 1 1 3 2 2 2 4 2 1 1 2 1 35 3 3 1 1 1 1 4 2 2 2 1 6 1 1 1 1 1 4 5 2 2 0 6 4 13 37 8 3 5 2 2 1 1 5 4 14 24 23 7 29 15 1 3 7 9 6 4 4 2 6 10 2 6 1 1 1 1 5 1 1 1 7 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 4 3 7 6 37 10 5 6 2 1 1 1 1 1 1 2 1 6 7 15 2 2 4 2 4 9 100 10 14 30 7 10 3 0 0 3 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 94 94 s 1H | 88 87 s 1H | 85 85 s 1H | 77 77 d 1H J 21 | 76 75 dd 1H J 22 84 | 74 74 s 1H | 74 73 m 2H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 69 d 1H J 83 | 38 37 dt 2H J 12 128 | 37 36 dt 2H J 11 128 | 23 23 tt 1H J 38 50 | 22 22 s 3H | 19 19 ddd 2H J 13 24 50 | 2 2 d 2H J 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CN1C(=O)C(C)=C(C)C1=O)OC
ir: 29 6 9 4 1 4 7 3 3 5 6 3 2 14 8 3 2 9 9 3 2 4 5 3 2 5 5 2 2 5 4 2 2 5 4 2 3 5 8 3 4 6 6 14 21 100 55 0 7 6 5 2 3 7 6 6 4 6 4 3 13 8 5 2 5 6 4 4 17 6 4 7 11 8 6 5 5 17 16 3 4 6 8 7 5 5 3 3 6 6 2 3 5 4 2 3 5 4 2 3 6 4 2 3 5 4 3 5 6 4 2 4 6 4 3 5 5 5 11 14 21 37 56 15 16 4 2 6 7 5 2 5 6 3 3 7 6 3 3 17 20 4 3 4 4 2 2 4 4 2 3 5 4 3 3 27 22 2 3 5 4 1 3 6 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 6 4 3 5 5 2 7 6 5 3 5 7 5 13 8 9 6 3 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5; 1HNMR: 49 48 tt 1H J 15 38 | 41 41 d 2H J 37 | 33 33 d 7H J 16 | 22 21 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.