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CNCC1CCc2ccc(S(C)(=O)=O)cc2O1
ir: 5 3 1 2 7 12 6 4 4 5 6 3 3 2 3 12 5 1 4 16 5 3 2 3 4 3 6 2 3 2 2 3 3 2 3 3 21 15 3 6 3 2 3 4 13 9 6 14 5 0 2 7 4 6 10 11 19 2 5 6 10 1 3 5 5 10 20 9 11 5 3 4 6 11 10 8 3 2 3 7 8 3 6 5 4 100 60 4 2 5 3 6 17 7 6 3 2 3 4 3 3 13 4 5 10 43 16 7 1 7 5 5 8 11 22 62 24 4 11 7 12 9 18 19 1 3 5 2 1 11 9 2 2 5 5 4 2 3 3 1 1 4 7 5 1 3 3 1 2 8 11 2 2 4 3 1 2 3 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 5 3 3 2 3 5 3 2 2 4 2 3 14 14 12 13 15 14 11 7 3 3 2 2 3 3 2 2 2 3 3 3 3 3 4 10 47 32 5 2 3 4 3 2 3 3 2 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 2 1 2 3 2 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 75 dd 1H J 22 92 | 73 72 d 1H J 21 | 72 72 dt 1H J 9 91 | 45 45 tt 1H J 33 46 | 32 32 s 2H | 31 31 ddd 1H J 33 57 130 | 29 28 m 2H | 28 27 m 2H | 25 24 d 3H J 51 | 22 21 dddd 1H J 46 62 88 149 | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2ccccc2c(OCc2ccccc2)c1Cl
ir: 11 5 12 9 14 4 2 2 4 2 2 2 4 1 0 2 4 1 0 2 2 1 1 2 2 1 1 3 3 3 4 3 7 3 3 6 6 2 9 6 29 5 4 78 22 4 2 2 4 17 4 4 2 1 3 4 3 1 2 3 2 1 3 5 6 2 2 5 10 3 4 13 5 2 3 6 5 2 4 3 2 3 4 3 1 1 2 4 6 13 5 3 6 5 4 4 3 3 3 4 1 1 2 2 1 2 3 8 6 2 4 2 1 2 4 3 1 2 3 2 1 3 3 2 1 3 4 1 2 3 3 3 3 9 11 25 11 4 4 2 12 29 17 19 14 6 4 10 25 4 7 4 3 8 5 2 2 3 3 0 1 3 1 2 21 6 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 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 4 1 2 7 11 3 13 100 33 19 5 6 3 1 2 3 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 82 82 dt 1H J 8 86 | 78 77 dd 1H J 15 74 | 77 76 td 1H J 12 70 | 74 73 m 5H | 73 73 m 1H | 51 51 t 2H J 9 | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)N(Cc1ccccc1)C(C)(C)C
ir: 2 2 2 6 9 4 9 7 4 5 5 5 3 5 6 4 12 14 6 6 3 3 10 16 29 24 4 5 4 19 57 6 8 5 8 25 43 13 10 40 100 66 19 11 15 7 5 2 9 17 5 2 2 4 3 10 8 7 3 4 9 7 6 11 6 5 6 8 32 24 9 7 6 5 6 10 7 38 35 1 4 16 15 4 5 3 2 10 8 49 37 6 3 4 5 6 5 9 9 5 9 37 31 14 8 17 12 18 20 21 11 39 36 16 7 12 6 11 12 18 22 9 14 10 6 8 9 5 3 10 10 19 34 43 28 40 45 10 12 12 10 12 25 39 39 9 2 6 7 1 1 27 21 3 2 3 2 0 1 2 2 0 1 3 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 4 6 10 6 5 7 7 7 6 7 7 9 11 35 37 54 35 79 87 32 8 5 5 4 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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: 73 72 m 2H | 73 73 s 4H | 38 38 d 1H J 125 | 35 35 d 1H J 125 | 29 28 h 1H J 59 | 17 16 dtd 1H J 56 68 123 | 14 14 m 1H | 14 13 ddd 1H J 17 28 70 | 14 12 m 6H | 11 11 m 10H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2c[nH]c3cc(N4CCNCC4)ccc3c-2nn1-c1ccc(Cl)cc1
ir: 2 5 7 5 5 19 8 4 1 5 8 7 7 8 7 5 2 5 10 4 3 15 6 3 3 9 7 4 4 8 6 3 35 34 10 14 5 9 28 11 6 8 6 2 4 17 29 5 6 50 11 8 21 98 84 92 100 29 9 0 6 9 12 1 12 11 8 15 14 23 4 3 13 6 3 1 5 6 3 4 7 6 3 2 7 8 11 7 7 6 5 5 10 9 5 3 8 7 10 8 11 14 27 9 19 6 5 6 11 31 38 10 10 8 3 21 32 19 9 6 8 4 4 6 11 6 7 10 7 21 11 7 7 5 3 22 8 4 2 5 5 3 3 6 17 6 7 39 38 9 5 12 18 17 10 9 4 27 16 12 5 2 6 7 6 19 9 8 4 2 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 5 5 2 2 5 5 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 2 3 6 5 3 4 7 4 2 4 8 5 3 18 27 50 49 38 20 27 28 7 6 5 3 4 5 4 3 4 7 5 3 14 12 56 48 8 8 5 5 18 25 17 13 6 6 3 3 6 4 2 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5; 1HNMR: 78 77 m 4H | 77 76 d 1H J 64 | 75 75 m 2H | 67 67 d 1H J 22 | 66 66 dd 1H J 22 81 | 33 33 m 4H | 30 29 m 4H | 20 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)ccc1Nc1nccc(-c2c[nH]c3ncccc23)n1
ir: 2 2 2 2 2 4 5 2 4 2 1 3 3 4 6 3 6 13 6 6 7 4 2 3 4 2 3 8 15 2 2 4 2 2 4 4 4 3 69 15 9 3 2 5 3 3 3 2 1 3 2 2 7 20 14 66 10 2 4 3 4 2 10 4 2 7 3 2 2 2 2 5 4 4 4 3 1 2 2 2 1 1 4 2 2 2 5 2 2 2 1 3 3 1 1 2 6 11 14 10 8 13 7 2 1 1 1 1 1 1 1 6 1 1 1 2 3 6 8 3 3 2 2 1 1 1 2 1 2 2 3 2 1 2 7 15 11 4 4 1 3 8 10 2 2 8 16 11 30 30 13 13 10 15 14 66 4 0 5 11 8 5 12 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 3 2 3 6 18 23 14 7 6 4 3 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 2 2 4 11 100 16 14 14 5 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 dd 1H J 21 39 | 86 85 m 3H | 82 82 d 1H J 73 | 75 74 d 1H J 48 | 74 74 d 1H J 78 | 73 73 m 2H | 72 72 dd 1H J 22 79 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1
ir: 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 10 4 1 0 0 0 1 0 0 1 1 1 3 2 2 9 6 0 0 1 1 0 0 1 2 0 0 1 0 0 3 1 0 0 1 0 0 1 1 1 1 1 0 1 1 1 1 0 0 0 1 2 1 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 1 2 1 1 4 1 1 0 1 1 1 1 0 1 1 1 8 2 1 1 2 1 2 1 0 1 1 0 3 4 6 1 1 2 2 1 8 1 2 1 1 3 0 0 0 0 0 0 1 1 100 2 3 1 0 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 2 0 1 3 12 3 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 d 1H J 70 | 83 82 d 1H J 15 | 79 78 m 3H | 77 77 dd 2H J 31 51 | 74 74 d 1H J 73 | 71 71 m 1H | 40 39 t 2H J 57 | 31 30 td 2H J 9 57 | 27 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)CCSCc1ccccn1
ir: 8 5 1 9 9 4 1 4 8 4 3 5 7 3 1 6 8 6 10 22 11 5 2 5 7 5 2 11 9 10 32 43 21 48 35 32 28 21 16 27 9 3 4 9 6 2 6 9 6 3 6 8 6 2 12 45 9 1 5 8 4 3 6 11 4 0 5 7 4 3 10 9 6 4 10 10 6 19 21 100 8 3 8 10 2 2 9 7 4 3 6 7 3 5 8 5 1 3 7 6 1 4 12 8 4 5 9 12 5 10 10 8 3 7 9 5 3 6 11 10 5 6 7 4 3 6 7 4 2 6 8 6 5 9 23 25 32 14 11 3 10 18 39 27 41 12 9 7 4 8 5 2 3 10 14 10 18 32 5 1 3 6 4 1 3 6 4 0 3 7 4 0 3 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 1 2 6 4 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 2 5 9 12 10 5 7 4 3 8 25 22 9 20 22 29 4 4 7 3 1 4 7 4 1 5 6 3 1 5 37 21 6 4 4 3 2 4 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1; 1HNMR: 86 85 dd 1H J 17 42 | 77 76 td 1H J 16 71 | 76 76 s 1H | 73 73 ddd 1H J 14 41 73 | 73 72 dq 1H J 10 69 | 42 41 q 2H J 64 | 38 38 d 2H J 9 | 30 30 t 2H J 57 | 27 26 t 2H J 56 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)c(-c2cc(C(C)(C)C)c(O)c(C(=O)OC)c2C)cc(C(C)(C)C)c1O
ir: 1 5 2 3 4 4 4 6 2 2 1 1 1 1 2 4 1 4 4 5 7 7 5 2 11 9 11 6 14 55 23 22 25 4 5 4 9 4 2 4 2 10 25 14 3 0 2 1 1 1 1 2 1 1 1 2 1 0 1 1 1 2 1 13 4 2 5 7 6 4 1 1 1 1 3 1 1 1 1 1 1 4 2 2 1 2 1 1 2 1 2 11 42 60 17 10 1 4 2 10 6 31 22 10 4 1 1 1 2 2 0 31 5 2 1 3 2 7 7 10 6 6 3 3 2 3 1 1 2 2 6 1 2 4 5 1 1 1 1 2 17 2 1 6 1 0 0 1 1 1 15 9 1 23 2 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 1 3 3 1 1 0 1 1 1 1 1 1 1 2 11 8 5 3 6 14 3 17 62 100 9 4 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 s 2H | 39 39 s 6H | 26 26 s 6H | 15 14 s 19H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1Cl
ir: 0 2 3 1 0 2 2 1 1 1 2 2 1 1 2 1 2 2 3 1 2 1 2 0 0 1 1 0 0 2 2 1 1 2 2 2 5 9 3 2 3 4 9 4 11 45 27 3 4 4 3 2 1 2 1 0 1 2 2 1 3 4 3 1 2 3 3 3 11 17 14 5 4 8 4 5 5 4 9 5 8 11 2 2 2 3 1 1 2 2 2 3 4 4 2 1 2 3 2 8 15 3 2 4 4 4 8 7 6 29 29 7 10 5 4 7 9 11 5 33 33 7 7 5 6 3 3 5 9 5 6 9 5 5 2 3 5 3 2 14 31 30 8 1 2 8 2 3 4 2 1 1 1 1 1 1 1 1 6 12 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 2 2 6 8 13 5 6 9 20 10 5 6 8 8 10 17 79 100 50 16 39 56 22 7 0 5 6 3 0 2 3 1 0 2 2 1 0 1 2 0 0 1 2 1 0 2 2 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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; 1HNMR: 72 71 m 3H | 42 42 t 2H J 70 | 24 23 s 5H | 19 18 m 2H | 14 13 h 2H J 66 | 10 9 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@H](Cc1ccccc1)NC(=O)N[C@H](Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1
ir: 3 1 1 2 1 2 1 1 2 1 1 2 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 3 1 2 1 2 2 3 3 6 4 2 22 4 2 5 3 2 2 2 2 1 3 4 3 8 3 3 2 2 2 1 3 3 2 2 3 2 3 5 2 3 2 2 2 2 1 2 2 2 2 1 1 2 1 1 1 2 2 3 2 1 1 2 1 2 2 2 2 2 1 2 2 1 1 2 3 3 2 3 3 1 2 2 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 9 2 2 1 2 2 4 2 7 3 19 8 4 4 1 100 0 3 4 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 3 3 8 16 12 2 2 2 2 2 1 2 2 1 1 1 1 1 2 2 2 2 2 2 3 4 4 3 10 11 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 1H | 75 74 m 1H | 74 73 d 1H J 79 | 73 73 m 2H | 73 71 m 6H | 71 70 dq 2H J 9 81 | 69 68 m 2H | 58 57 d 1H J 93 | 53 52 dt 1H J 52 79 | 40 39 m 1H | 38 38 s 2H | 36 35 dd 1H J 47 116 | 34 33 m 2H | 32 32 s 2H | 31 30 ddt 1H J 9 53 152 | 30 29 ddt 1H J 9 67 141 | 27 27 ddt 1H J 9 66 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)Oc1cc[nH]c(=O)c1
ir: 4 5 5 5 4 5 6 6 4 4 6 4 4 4 4 4 4 4 4 5 4 4 4 3 4 4 4 4 9 9 6 4 4 4 4 4 4 3 4 5 5 3 13 100 40 25 8 2 4 6 4 2 3 5 4 5 5 6 4 2 4 6 4 2 6 6 6 12 25 8 5 9 6 5 4 5 10 6 5 3 4 4 3 4 5 4 3 3 5 6 4 6 6 6 4 4 4 4 4 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 6 6 12 6 5 5 5 6 5 7 6 4 3 5 11 10 5 5 5 4 3 4 4 4 5 5 27 25 8 7 13 10 8 11 13 6 6 5 5 6 15 16 20 7 4 8 6 0 17 59 100 8 4 3 4 5 4 3 4 4 4 3 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 5 5 9 6 5 5 4 19 75 28 8 9 5 4 3 4 4 4 4 4 5 5 4 4 4 4 5 6 4 20 41 24 13 12 8 6 5 3 4 5 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 78 78 dd 1H J 66 74 | 63 63 d 1H J 13 | 61 60 dd 1H J 13 75 | 26 25 q 2H J 79 | 13 12 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(C)N(C2=NC(N)C(=O)N(C)c3ccccc32)C(C)C1
ir: 5 2 7 7 4 2 3 10 2 3 1 2 2 3 1 3 26 8 3 6 3 2 3 3 9 6 9 9 12 2 3 3 2 3 3 3 5 9 20 10 3 4 43 12 10 8 3 2 1 1 8 3 2 2 6 3 2 2 2 3 3 7 28 5 31 15 2 2 2 3 12 4 5 8 13 23 54 56 54 11 6 14 17 3 5 27 4 2 2 2 3 6 8 5 4 3 3 3 6 4 2 2 6 4 4 4 2 2 3 9 9 10 18 6 11 6 3 3 5 8 15 6 11 9 7 6 22 21 20 13 51 35 15 13 6 4 20 6 5 2 3 1 3 8 100 34 13 1 0 49 9 5 2 1 2 4 2 1 2 2 7 21 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 3 3 2 2 4 5 5 5 7 12 15 10 7 18 36 15 3 1 2 1 1 1 1 2 2 10 19 15 10 10 12 28 47 8 8 96 15 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dd 1H J 16 80 | 75 74 td 1H J 16 78 | 73 73 dd 1H J 14 76 | 73 72 td 1H J 14 79 | 48 48 t 1H J 70 | 39 38 h 2H J 59 | 35 35 s 2H | 34 34 d 2H J 70 | 19 18 dt 2H J 62 124 | 18 17 dp 1H J 62 123 | 17 16 dt 2H J 61 122 | 12 12 d 6H J 59 | 9 9 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCO/C=C/c1nc(SC)nc(Nc2cccc(-c3ncccn3)c2)c1C(=O)OCC
ir: 2 2 3 3 3 3 2 2 2 2 5 2 1 2 3 3 3 2 4 29 3 4 5 5 3 2 3 8 4 4 5 3 3 4 4 8 4 5 4 8 11 40 64 19 27 5 12 13 51 0 5 4 4 4 16 6 3 5 2 3 3 2 9 3 3 2 2 3 5 2 4 3 3 5 9 7 7 2 12 22 3 5 7 2 3 4 2 2 1 1 2 2 1 2 12 5 1 1 2 3 1 35 5 4 6 5 14 3 11 12 13 5 4 3 3 4 3 5 22 4 3 3 5 4 12 4 2 11 31 3 4 3 11 11 14 3 4 3 6 7 8 42 27 6 13 12 49 3 2 4 4 20 32 100 93 26 6 1 12 41 7 3 7 4 2 8 40 7 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 1 2 2 2 1 2 2 2 3 3 4 2 3 4 10 47 8 11 15 17 12 5 4 2 3 2 2 2 4 3 2 2 2 2 2 2 2 4 6 8 7 22 20 12 15 25 5 2 3 2 3 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; 1HNMR: 98 98 s 1H | 87 87 d 2H J 40 | 78 78 ddd 1H J 11 22 93 | 77 76 ddd 1H J 12 22 77 | 75 75 dd 1H J 77 94 | 74 74 t 1H J 21 | 71 71 t 1H J 40 | 70 69 dt 1H J 9 141 | 62 62 d 1H J 141 | 44 43 q 2H J 64 | 39 38 qd 2H J 9 62 | 26 26 s 2H | 14 14 t 3H J 64 | 13 13 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)O)oc2cccc(OC(C)C)c12
ir: 2 2 2 2 2 3 2 2 2 2 2 6 6 4 2 3 3 2 2 2 4 4 10 47 19 4 4 12 2 2 2 2 2 2 2 2 2 5 5 3 2 2 2 2 2 3 14 21 13 10 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 1 3 2 2 2 3 3 2 4 9 4 1 40 44 1 2 3 10 3 2 2 2 2 3 15 5 4 2 2 3 2 1 2 2 2 1 2 2 2 1 1 2 2 2 5 2 2 2 2 2 2 2 2 6 3 3 2 2 2 2 3 6 4 2 7 9 5 2 4 4 15 5 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 1 67 4 2 11 30 3 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 3 3 1 3 7 9 4 7 40 15 4 2 3 2 2 2 4 10 100 16 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 dd 1H J 69 80 | 73 72 dd 1H J 12 69 | 68 68 dd 1H J 13 80 | 47 46 p 1H J 57 | 26 25 s 2H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(C(O)=S)c(N[C@H](CO)Cc2ccccc2)n1
ir: 6 1 3 3 3 4 5 7 3 4 3 9 6 5 2 3 3 4 2 3 4 3 6 9 6 2 2 3 4 8 20 9 10 15 5 2 2 1 2 4 6 3 7 19 14 29 99 8 16 6 8 2 2 3 1 1 2 3 5 8 4 2 3 2 5 4 6 2 5 3 1 1 6 7 12 4 2 1 13 2 1 1 1 2 3 2 2 23 8 9 3 17 9 12 16 5 5 12 3 8 10 2 3 17 46 19 6 4 4 9 5 11 2 2 2 1 4 12 1 4 2 3 2 2 1 1 1 2 2 3 3 9 4 2 4 6 3 2 11 3 2 2 3 7 100 6 3 1 2 90 2 3 1 1 1 1 1 2 0 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 2 3 2 3 1 3 23 4 3 4 13 45 35 7 2 3 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 10 23 17 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H | 96 96 m 1H | 84 83 s 1H | 73 73 m 2H | 73 72 m 1H | 72 71 ddt 2H J 9 15 67 | 40 39 m 1H | 39 38 m 2H | 37 36 m 1H | 31 30 ddt 1H J 9 71 139 | 29 28 ddt 1H J 8 70 138 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)C1(C)CC1c1ccc(Cl)cc1
ir: 2 1 0 1 2 1 0 1 2 5 2 2 1 3 1 1 2 1 1 7 2 1 0 1 1 0 0 2 1 1 1 2 2 6 4 3 12 1 1 2 2 4 2 3 5 2 3 2 2 3 17 3 3 1 6 100 2 2 1 2 1 1 3 2 2 2 3 2 2 4 2 11 5 1 1 3 4 1 1 1 1 1 1 1 1 2 3 1 1 1 5 1 1 1 1 2 3 3 6 2 1 1 2 1 4 5 3 5 3 3 1 1 1 5 4 1 1 2 3 2 1 2 2 2 23 6 2 2 2 3 4 16 11 4 1 1 1 1 1 1 1 2 8 8 7 2 2 2 7 4 7 5 5 4 2 0 1 1 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 7 7 7 6 7 12 27 19 2 3 5 5 4 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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: 73 72 m 4H | 29 28 m 1H | 27 26 hept 1H J 65 | 18 18 dd 1H J 56 78 | 16 15 dd 1H J 56 78 | 11 11 d 3H J 66 | 11 11 d 3H J 16 | 10 10 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2c(-c3ccccc3Cl)c(NC(=O)Nc3ccc(F)cc3F)cnc2s1
ir: 1 1 1 2 0 4 2 1 1 3 2 1 0 1 2 1 11 2 4 1 1 4 4 2 1 1 2 3 4 3 1 0 2 6 8 1 2 2 3 1 5 21 18 22 20 68 16 6 2 3 6 2 2 3 20 10 5 2 2 2 1 1 1 0 1 2 2 21 3 3 4 6 7 1 1 1 1 1 2 2 1 3 1 0 1 1 2 7 3 2 3 5 1 12 1 2 1 1 15 1 0 9 2 5 2 2 0 1 1 5 1 1 1 2 2 2 3 7 6 1 1 1 1 1 1 1 1 1 8 4 2 2 2 1 2 12 29 4 22 32 12 2 1 1 2 3 23 7 6 19 19 5 60 17 40 13 7 1 10 2 1 3 7 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 4 26 89 39 11 5 1 2 1 1 1 1 2 2 1 2 2 1 3 1 2 2 6 8 12 14 100 48 14 30 7 6 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 d 1H J 33 | 89 89 s 1H | 88 88 s 1H | 76 75 m 3H | 75 74 td 1H J 14 74 | 74 73 td 1H J 14 76 | 71 70 t 1H J 9 | 70 70 m 1H | 70 69 m 1H | 29 28 qd 2H J 9 68 | 13 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(N3CCCCCC3)cc2c(-c2ccccc2)c1C(=O)C(F)(F)F
ir: 8 3 6 3 2 5 5 9 0 3 10 6 0 5 9 2 1 3 4 7 2 6 4 7 4 3 3 2 6 7 8 19 12 8 6 11 8 12 9 43 5 26 21 4 2 5 3 1 5 10 13 3 5 10 6 7 16 51 6 7 3 3 3 2 4 4 11 2 43 34 27 7 6 12 27 2 5 6 5 3 3 4 22 1 6 10 5 18 14 4 3 3 4 5 5 10 14 11 77 22 4 4 3 2 4 3 0 2 6 4 2 6 7 3 1 6 8 4 2 8 6 3 2 4 4 5 2 3 4 2 3 9 7 3 18 4 3 2 7 4 3 2 6 22 4 4 20 5 5 5 18 18 32 11 38 13 5 1 2 3 3 0 2 4 2 0 2 3 2 0 2 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 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 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 3 3 2 2 4 5 2 5 3 3 1 4 6 5 22 17 12 21 100 47 18 16 4 6 5 2 1 3 4 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3; 1HNMR: 78 77 d 1H J 78 | 75 74 m 2H | 74 73 m 3H | 73 72 d 1H J 22 | 71 71 dd 1H J 22 77 | 34 33 m 4H | 29 28 s 2H | 17 16 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COCC(c2ccccc2F)(C(F)F)N1
ir: 1 2 2 1 1 1 4 6 2 8 7 2 4 1 2 1 1 2 2 1 1 1 1 1 1 5 6 2 11 26 9 27 12 12 4 3 13 9 3 3 3 1 14 8 3 3 1 5 2 2 2 3 8 2 1 2 2 0 2 1 1 1 1 1 1 2 2 1 1 3 2 1 3 2 3 5 15 2 2 1 1 1 3 2 1 2 1 2 1 15 3 2 1 5 2 1 1 1 0 1 1 1 1 1 2 4 2 2 1 0 0 0 1 1 1 2 2 2 2 2 3 6 0 1 2 1 1 6 3 1 1 3 10 9 13 2 5 15 2 2 1 0 0 8 1 1 1 2 2 10 4 6 15 100 10 1 1 1 1 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 1 1 1 1 1 1 2 11 3 10 47 25 6 2 2 1 1 1 1 1 0 0 1 1 0 1 1 1 1 2 1 2 17 11 38 35 4 5 11 6 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 ddd 1H J 13 33 90 | 74 73 dddd 1H J 13 39 70 82 | 72 71 m 2H | 71 70 t 1H J 27 | 62 61 s 0H | 48 47 dt 1H J 31 114 | 46 45 dt 1H J 31 112 | 42 42 d 1H J 147 | 42 41 d 1H J 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO/C=C1\CCOc2cc(C#N)ccc21
ir: 14 4 5 4 2 10 7 4 3 4 5 3 4 3 6 5 2 3 4 2 5 4 4 2 2 4 7 2 2 4 4 3 14 5 4 2 2 13 12 6 3 4 3 2 3 4 3 2 3 4 3 2 3 6 83 10 3 5 7 2 3 4 4 4 3 5 5 52 20 12 28 5 4 7 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 5 3 11 7 4 4 4 4 3 2 3 4 4 2 3 5 3 2 3 5 5 0 13 9 3 2 3 6 7 6 5 4 3 2 8 9 3 4 5 8 3 2 4 4 3 3 3 4 3 2 4 4 3 6 9 4 3 2 4 4 3 6 29 13 9 3 4 4 2 4 5 3 2 3 5 6 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 12 4 2 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 3 4 3 2 2 5 4 2 3 4 5 3 4 4 4 2 4 4 4 3 15 6 13 1 100 15 7 4 3 4 3 3 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 75 74 m 2H | 72 72 d 1H J 21 | 65 64 h 1H J 9 | 42 42 m 2H | 37 37 d 3H J 11 | 28 27 td 2H J 9 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCNC(=O)CNc1c(Cl)cc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl
ir: 2 5 3 3 3 3 5 3 4 5 3 9 5 11 10 6 7 12 11 7 3 3 4 4 3 8 15 7 4 4 7 5 4 6 13 11 15 29 14 14 5 6 8 8 10 3 5 6 13 8 4 5 3 8 5 9 8 0 4 5 3 4 3 4 10 4 7 18 4 8 2 3 4 6 6 7 3 4 8 20 26 14 7 6 3 17 13 16 6 27 4 2 2 3 4 3 6 5 3 5 5 3 4 3 3 5 10 12 3 8 2 2 7 4 1 8 5 5 13 10 16 11 23 14 20 9 3 8 8 7 3 3 2 2 1 2 4 2 1 2 8 8 42 25 15 11 30 27 31 13 12 5 11 2 2 3 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 3 2 2 2 2 2 2 3 2 6 4 12 16 32 9 3 4 3 4 7 22 100 9 3 4 3 4 2 2 5 2 4 35 24 10 8 18 25 62 55 9 12 8 7 2 2 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 s 1H | 72 72 m 2H | 71 70 t 1H J 48 | 70 69 t 2H J 9 | 68 68 m 2H | 68 67 t 1H J 63 | 47 46 m 1H | 40 40 d 2H J 63 | 40 39 d 1H J 53 | 37 36 dt 1H J 48 73 | 35 34 t 2H J 46 | 34 33 m 5H | 33 32 dp 1H J 60 73 | 30 29 dtd 1H J 47 56 139 | 29 28 m 3H | 12 11 dd 3H J 15 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OCC(CN(C(=O)C(Br)C(C)(C)C)c2ccccc2)O1
ir: 3 2 0 2 4 8 4 10 7 3 2 7 4 3 4 5 3 2 1 3 8 2 2 3 3 3 3 5 3 3 8 12 73 40 15 3 5 8 19 10 6 15 29 7 5 4 5 9 18 27 2 6 2 4 5 4 4 6 11 7 15 9 12 6 5 5 8 5 21 18 14 9 15 15 5 9 28 59 21 8 36 15 9 6 4 2 2 2 9 8 4 3 1 3 2 3 1 2 4 5 2 3 3 2 7 4 8 16 14 11 5 4 3 7 3 2 3 5 4 3 5 9 4 3 2 4 8 10 4 8 7 16 14 16 5 39 3 14 13 12 6 10 7 41 23 21 33 36 11 8 4 9 8 3 2 1 1 2 1 3 4 3 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 4 3 2 3 3 5 4 3 4 4 8 14 11 12 30 23 18 100 31 35 5 8 5 2 2 2 2 1 2 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 m 2H | 73 72 m 2H | 72 72 m 1H | 49 49 q 1H J 35 | 44 43 tt 1H J 27 40 | 43 43 dh 1H J 16 31 | 41 41 dd 1H J 39 125 | 41 40 dd 1H J 27 112 | 39 38 dd 1H J 39 125 | 38 38 dd 1H J 26 112 | 13 13 d 3H J 35 | 11 11 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)s1
ir: 9 7 6 2 4 3 1 4 4 4 3 1 3 2 1 2 3 2 1 2 2 1 1 3 3 5 2 5 12 3 1 2 2 3 3 7 4 5 2 2 2 1 2 4 5 4 2 5 2 1 2 3 2 0 2 4 7 5 6 5 6 23 15 11 3 3 3 4 3 2 2 2 2 1 2 5 1 1 2 2 1 1 2 2 1 1 4 3 3 18 3 3 5 2 2 3 1 3 8 4 3 1 7 9 14 4 10 4 3 3 5 6 12 24 12 18 8 8 16 14 12 13 27 19 5 6 6 9 8 23 23 10 9 4 3 2 3 7 7 2 2 2 2 3 3 5 16 6 10 3 2 1 1 1 1 1 1 2 1 1 1 2 11 2 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 3 5 7 10 6 13 4 7 10 7 8 26 10 11 12 49 100 29 9 10 4 2 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 s 1H | 38 37 ddd 2H J 59 86 125 | 36 35 ddd 2H J 58 85 123 | 32 31 p 1H J 52 | 24 24 s 3H | 23 22 m 2H | 20 19 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCOc1cc(C)c(Br)c(C)c1C
ir: 3 5 3 2 2 2 2 1 3 1 2 5 12 5 2 1 2 2 7 13 3 7 7 2 3 12 8 7 2 2 8 2 1 1 1 2 1 1 1 1 1 0 1 2 2 6 8 3 1 0 1 4 3 2 4 3 3 16 14 4 4 13 4 8 23 12 22 21 29 41 62 100 31 15 7 23 14 8 5 4 5 4 3 4 2 2 2 1 1 1 0 1 4 5 17 11 2 2 2 2 1 4 8 10 10 9 3 5 8 15 24 11 15 17 10 5 11 15 13 13 15 10 3 10 4 5 3 9 7 9 3 6 2 3 4 12 11 4 6 10 7 3 2 1 1 1 9 3 1 2 10 25 1 0 1 1 1 1 6 29 36 15 3 2 1 1 1 1 1 0 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 2 2 2 2 3 6 10 10 4 3 5 10 8 8 6 8 17 7 16 76 49 44 21 56 10 12 4 1 3 4 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 65 65 s 1H | 42 41 t 2H J 50 | 38 37 t 2H J 50 | 36 35 q 2H J 62 | 23 23 s 2H | 22 22 d 6H J 49 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1cc(-c2ccc3nc(NCc4ccccc4)cnc3c2)cn1
ir: 8 2 10 3 3 3 14 16 38 20 4 11 4 6 5 5 4 4 8 65 14 3 3 7 2 2 2 2 4 3 7 3 3 3 8 6 3 4 8 25 100 8 4 2 2 2 1 6 1 2 3 4 2 3 5 11 42 18 17 6 7 9 5 1 2 14 21 6 39 26 3 3 6 2 2 1 1 1 6 2 2 7 2 1 1 1 1 2 7 13 2 3 8 5 3 4 12 15 5 6 6 2 3 5 27 2 2 1 1 1 4 2 2 9 2 4 1 3 9 9 10 10 10 4 3 16 5 25 4 10 10 12 68 6 3 31 2 2 1 2 2 2 8 12 10 22 39 16 16 1 43 55 4 6 4 2 3 6 3 2 1 2 1 0 1 2 1 1 7 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 2 1 2 1 1 1 2 2 5 2 4 18 73 21 13 51 16 14 4 4 1 3 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 13 10 4 4 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H | 85 84 s 1H | 84 84 m 1H | 81 80 m 2H | 80 80 s 1H | 74 72 m 6H | 72 72 t 1H J 58 | 48 47 dt 2H J 8 57 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2
ir: 1 2 2 5 1 1 1 2 6 1 8 3 1 1 2 3 2 1 1 1 1 2 2 1 1 3 12 1 1 3 13 6 3 16 25 15 7 3 1 0 2 1 1 1 2 2 2 4 16 2 1 1 2 2 1 1 3 1 0 1 1 1 13 1 3 2 5 7 7 6 2 3 2 2 1 0 1 2 3 2 1 1 1 1 0 0 2 1 1 0 1 0 0 0 1 2 10 4 7 7 10 2 0 2 1 0 2 2 1 1 1 4 6 4 3 2 4 2 4 2 2 3 3 2 1 5 1 4 3 2 1 2 4 9 7 5 3 3 4 5 5 3 2 1 21 1 0 2 1 1 2 1 15 11 5 100 23 8 1 3 1 1 1 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 1 1 0 0 0 1 1 1 1 1 0 1 1 1 2 7 8 7 16 51 4 3 2 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 2 9 12 15 21 6 4 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 89 89 d 1H J 20 | 87 86 dd 1H J 18 48 | 79 79 m 2H | 78 77 m 2H | 77 77 s 1H | 76 76 ddd 1H J 12 21 82 | 75 74 dd 1H J 72 83 | 74 73 dd 1H J 48 76 | 38 38 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(CO)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
ir: 11 12 19 7 3 42 10 8 8 16 24 9 25 7 19 5 15 18 7 9 3 7 13 16 10 9 5 10 8 13 11 14 8 9 3 6 8 4 40 6 32 15 22 21 6 13 18 15 8 7 6 2 2 7 2 3 4 3 3 1 2 3 3 13 6 6 6 2 5 7 5 3 4 3 2 3 3 6 12 4 3 2 4 1 4 4 3 3 9 17 5 13 7 9 17 100 38 63 30 9 18 7 5 4 7 11 11 10 21 12 13 7 10 5 5 5 4 10 3 4 11 4 9 8 7 3 11 5 8 3 5 17 21 6 11 14 9 5 3 3 4 2 22 47 24 14 63 37 21 21 20 18 6 3 2 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 3 4 3 3 5 5 4 7 7 7 4 19 27 27 76 37 21 26 53 17 7 5 2 2 2 1 1 1 1 1 2 1 2 2 2 10 6 10 24 35 36 40 3 21 9 4 1 2 2 1 1 2 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 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 0 1 1 1 0 1 1; 1HNMR: 74 73 m 5H | 70 70 d 1H J 98 | 52 51 s 2H | 43 42 ddt 1H J 17 34 54 | 38 37 dt 1H J 50 119 | 36 35 m 1H | 35 34 m 2H | 34 34 t 1H J 50 | 34 33 dddp 1H J 16 46 62 95 | 22 21 m 1H | 20 19 m 2H | 19 18 m 2H | 9 9 ddd 6H J 15 61 212
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)COc1ccc(OC)cc1
ir: 2 1 1 1 1 1 1 1 2 1 7 6 6 2 1 2 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 0 1 1 2 6 15 3 2 4 1 1 0 1 1 1 1 1 4 2 5 5 19 70 97 49 4 24 3 2 11 8 27 31 6 5 15 9 4 43 2 6 3 1 1 1 1 0 1 1 2 0 1 1 0 0 2 8 12 4 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 3 12 8 9 8 5 18 4 8 7 3 5 4 12 5 5 3 2 2 2 2 3 3 1 2 3 2 1 1 1 0 0 1 1 0 0 1 1 0 0 2 2 5 100 0 7 12 22 18 2 2 2 1 0 1 1 0 1 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 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 1 0 0 0 1 0 0 1 1 0 0 1 4 3 4 2 2 2 2 5 2 3 4 3 8 10 15 17 8 20 33 20 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 69 68 m 4H | 41 40 dd 1H J 51 115 | 38 38 dd 1H J 51 113 | 38 38 s 3H | 19 18 ht 1H J 50 70 | 15 13 ddq 2H J 68 125 278 | 13 11 m 2H | 10 10 d 3H J 71 | 9 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cc(CN=[N+]=[N-])ccn2c1Cl
ir: 7 2 2 5 6 9 6 4 3 8 11 17 10 7 4 3 2 3 3 3 3 3 8 10 5 4 6 7 4 4 7 5 5 16 38 20 3 3 3 3 4 4 2 3 2 2 4 5 5 7 14 11 16 26 8 5 3 1 2 3 2 2 4 5 2 2 4 4 5 6 6 11 7 11 8 12 8 18 22 19 3 3 2 3 2 2 3 4 4 42 17 12 6 7 6 17 24 4 5 5 15 7 5 5 5 4 6 4 4 10 29 9 15 20 13 37 14 6 3 4 3 4 3 4 4 10 6 5 6 9 4 4 3 2 2 2 3 2 5 29 2 0 0 100 1 5 15 25 17 23 7 6 23 4 3 2 9 17 4 2 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 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 4 3 11 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 2 3 2 3 2 3 3 2 6 19 13 5 6 9 26 93 40 15 9 6 4 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 89 88 d 1H J 65 | 72 72 q 1H J 14 | 68 68 s 1H | 67 66 dq 1H J 10 64 | 45 45 t 2H J 11 | 43 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(N)c1csc(C)n1
ir: 8 5 0 4 7 4 1 4 6 4 1 4 6 4 2 4 6 3 1 5 6 2 1 5 5 3 3 7 6 4 3 6 5 2 2 5 4 1 2 5 5 1 6 9 8 5 19 24 5 1 3 6 4 2 5 10 8 3 7 9 5 3 8 10 6 5 13 34 13 4 7 19 22 33 18 100 21 24 8 13 6 4 6 7 6 6 13 34 7 6 6 6 2 3 6 5 4 6 9 10 4 24 40 27 7 4 7 5 2 5 7 5 5 7 11 10 14 9 14 12 5 27 17 13 8 11 9 53 11 20 14 8 32 14 10 3 27 21 8 3 4 6 8 5 3 21 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 0 3 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 3 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 2 3 5 6 10 9 7 5 2 4 9 7 5 12 8 25 5 19 21 42 20 29 67 56 13 12 8 4 2 4 5 3 1 6 6 32 21 14 10 7 5 7 7 8 84 39 6 3 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 4 6 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 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 3 4 3 1; 1HNMR: 74 73 s 1H | 48 47 dd 1H J 53 60 | 41 41 d 2H J 57 | 37 37 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1CO
ir: 5 2 3 1 2 2 1 3 4 1 3 1 1 2 0 3 6 12 2 0 0 1 1 0 0 1 1 0 1 1 2 2 2 2 2 1 0 1 0 0 1 2 1 0 1 1 0 0 1 2 1 1 1 8 6 12 9 1 1 2 1 2 2 2 1 1 1 4 1 2 2 4 4 3 8 6 3 2 2 5 2 1 9 15 17 14 12 7 21 14 4 1 4 2 1 3 4 2 5 22 23 1 1 1 1 1 1 2 2 4 3 10 86 9 5 2 2 4 2 1 1 3 11 4 10 5 3 5 11 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 4 0 2 7 32 2 5 1 2 6 1 1 2 1 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 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 1 1 1 0 0 0 1 0 1 1 2 0 0 2 1 1 2 2 4 2 3 2 3 10 6 8 29 79 15 11 7 3 3 3 6 100 15 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 5 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 4H | 70 70 s 1H | 47 46 d 2H J 51 | 43 42 t 1H J 51 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)N(C(=O)c2cccc3ccccc23)C1=O
ir: 3 1 1 1 4 12 5 2 2 2 2 1 6 8 1 3 3 2 2 2 6 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 1 1 1 2 6 4 3 3 18 100 16 12 17 20 6 13 3 2 1 1 1 2 1 1 1 1 2 2 3 2 1 3 1 2 1 2 1 2 2 4 1 1 1 1 1 1 2 2 7 3 1 1 1 1 1 2 5 2 4 11 2 2 4 3 1 2 1 1 1 6 2 2 1 2 2 1 0 1 3 1 1 4 4 2 1 1 1 1 1 2 7 19 26 10 5 3 3 1 18 9 4 3 2 6 1 1 2 1 2 10 12 51 22 5 4 20 5 2 6 44 5 4 3 15 8 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 1 1 2 2 1 2 6 13 8 10 35 42 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 84 83 m 1H | 81 80 dd 1H J 13 81 | 80 80 dt 1H J 14 78 | 77 77 t 1H J 82 | 77 76 td 1H J 13 86 | 76 75 m 2H | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Sc2ccccc2)c1SC(F)(F)F
ir: 9 5 0 5 9 6 3 6 9 5 4 8 9 3 2 6 7 3 2 6 6 3 2 7 6 3 3 6 6 3 9 9 6 2 3 9 12 3 3 7 38 8 3 7 5 1 4 7 4 1 3 7 4 0 4 7 4 0 4 7 4 1 4 8 12 18 24 22 10 2 5 6 4 2 5 8 3 3 5 6 2 2 5 7 6 10 6 5 2 2 6 6 2 2 7 7 7 31 100 13 3 4 6 4 1 3 6 4 1 4 6 4 1 4 35 22 2 4 10 3 1 4 9 7 2 5 18 4 1 6 8 3 1 5 16 12 3 7 7 14 5 6 15 8 4 6 6 2 3 6 7 6 3 6 5 2 3 6 4 1 4 9 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 3 6 4 2 4 7 6 3 8 51 36 4 5 6 5 2 4 6 4 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2; 1HNMR: 79 79 q 2H J 10 | 74 74 m 2H | 73 73 m 2H | 72 72 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(C)(C#N)N(C)C
ir: 2 15 20 86 95 57 80 27 12 12 16 9 3 7 7 4 3 4 5 3 3 5 6 3 5 6 19 100 67 62 21 8 3 17 9 4 3 10 9 7 20 21 15 12 8 8 6 3 9 10 7 4 7 11 12 12 23 65 24 14 7 23 9 10 14 12 8 18 47 59 10 2 10 10 5 6 13 13 6 4 8 28 22 11 12 22 67 22 14 21 11 29 53 40 9 10 23 47 34 9 11 9 16 27 16 19 20 24 47 54 79 29 54 73 13 14 17 18 55 67 10 34 16 10 18 17 13 8 17 25 24 43 37 30 21 9 7 5 7 9 8 3 6 5 7 2 3 5 5 2 2 6 5 1 3 7 5 1 3 7 4 1 3 7 4 1 4 7 4 0 4 7 4 0 4 7 3 0 4 55 44 2 4 6 3 1 5 6 3 1 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 3 0 4 7 4 1 4 7 3 1 4 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 6 5 2 3 6 6 2 4 7 17 7 6 14 15 19 16 12 14 8 13 25 15 69 99 27 12 7 7 7 5 2 5 7 4 2 5 6 3 2 4 5 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 1 3 6; 1HNMR: 23 23 s 5H | 19 18 dt 1H J 61 121 | 17 16 dt 1H J 61 121 | 15 15 s 2H | 15 12 m 5H | 9 8 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CC[C@@H](Nc2ncccn2)CC1
ir: 3 6 1 3 3 2 3 3 2 2 5 7 11 21 14 15 6 6 4 3 6 2 1 3 3 5 4 3 3 3 2 9 6 9 14 22 40 17 16 11 9 3 2 2 1 0 1 1 2 1 1 1 1 2 3 3 4 1 3 2 1 1 1 1 1 4 2 2 1 1 3 4 3 2 4 6 9 6 7 3 5 2 3 3 9 5 13 13 21 29 11 6 5 14 17 15 1 1 3 1 4 1 1 1 2 2 3 4 5 10 3 3 4 3 4 4 1 3 3 1 1 5 5 2 2 2 4 1 2 3 3 2 6 10 6 9 14 27 74 28 73 7 13 1 4 28 36 51 12 2 2 8 17 77 100 45 4 4 1 2 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 3 2 2 2 3 3 4 4 2 5 3 7 6 11 14 6 4 9 7 2 2 2 13 30 56 24 4 6 7 5 4 4 2 2 2 6 7 6 3 4 16 22 22 44 16 8 12 3 3 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 d 2H J 42 | 65 65 t 1H J 43 | 56 56 d 1H J 81 | 38 36 m 2H | 29 28 d 1H J 59 | 20 19 m 2H | 19 18 m 2H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(O)nc(N(C)C)cc2c1
ir: 1 13 26 15 15 15 10 8 14 7 12 6 8 11 16 5 3 5 16 12 15 25 14 15 8 8 7 7 18 29 51 56 12 12 3 2 3 2 3 3 3 3 2 2 3 6 30 16 3 2 3 6 7 4 4 11 10 10 9 9 9 7 9 9 9 5 11 8 6 29 46 47 41 9 28 16 16 2 13 19 10 2 3 2 4 8 4 7 8 5 23 24 18 11 5 4 1 2 2 2 2 3 3 2 1 2 2 2 3 3 2 4 10 10 4 3 4 5 7 7 13 19 14 6 13 21 16 4 3 7 5 7 3 8 7 12 10 5 5 4 4 16 44 32 2 2 3 1 3 4 3 3 6 7 27 24 9 3 10 3 2 2 2 1 2 1 2 5 21 16 2 0 2 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 2 2 3 2 2 3 4 7 9 39 21 3 6 5 2 1 2 4 15 100 55 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 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 84 | 73 72 t 1H J 23 | 68 67 dd 1H J 24 88 | 67 66 d 1H J 22 | 38 38 s 3H | 31 31 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(Cc2cc(Br)c(O)cc2Cl)cc1
ir: 0 1 1 1 1 2 3 1 3 1 2 1 2 1 2 1 4 5 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 6 1 1 1 1 1 1 0 1 4 14 12 7 7 2 1 1 1 1 1 1 1 1 1 3 8 20 40 15 2 6 2 1 5 5 2 4 5 5 6 2 2 1 1 9 1 2 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 2 1 2 1 1 2 1 1 1 1 0 0 1 1 3 1 1 1 1 1 8 6 3 4 4 5 2 3 2 2 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 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 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 8 22 3 19 5 4 1 2 3 7 100 21 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 t 1H J 9 | 72 72 dt 2H J 9 79 | 71 70 dq 2H J 9 80 | 70 69 s 1H | 65 65 s 1H | 40 39 q 2H J 8 | 27 26 qt 2H J 9 73 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(Oc2ccc3c(c2)CCCN3C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1
ir: 6 5 5 11 4 9 5 5 4 10 7 6 3 2 1 5 2 6 12 5 6 4 5 4 8 5 3 3 3 6 5 1 8 17 23 38 26 14 16 11 6 13 14 8 14 16 6 5 2 2 4 4 2 3 8 31 26 19 2 2 4 5 11 12 43 27 15 6 4 4 5 3 1 2 2 6 2 2 2 2 1 1 1 2 4 3 1 11 22 7 4 4 1 7 10 3 3 4 5 2 4 2 3 5 12 15 2 1 2 1 2 6 4 6 4 3 4 14 6 3 3 2 3 5 9 4 4 4 2 3 4 2 4 4 1 2 2 5 11 5 1 2 8 17 5 9 25 28 6 6 4 2 17 56 37 11 4 8 4 100 36 0 3 5 5 1 1 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 8 15 4 24 53 30 5 3 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 4 2 2 22 34 44 54 53 10 8 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; 1HNMR: 83 82 s 1H | 82 82 d 1H J 15 | 76 75 m 2H | 72 71 m 2H | 70 70 d 1H J 88 | 70 69 dd 1H J 21 89 | 69 69 dt 1H J 8 18 | 61 60 q 1H J 47 | 56 56 d 1H J 14 | 39 38 m 2H | 29 28 m 5H | 21 20 m 2H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CNC1
ir: 1 4 11 2 17 2 6 4 2 4 10 16 41 27 8 7 7 5 8 4 13 32 4 17 3 2 2 4 5 9 21 12 24 6 16 6 4 3 1 1 1 2 1 2 2 5 5 35 22 17 13 6 2 13 23 2 49 6 2 2 1 2 1 16 5 9 34 22 4 2 2 1 2 7 1 3 2 2 2 7 6 5 3 1 1 1 2 9 1 3 6 1 2 2 2 1 6 6 47 19 3 3 2 6 5 42 100 10 1 2 3 7 14 33 18 17 3 1 1 2 1 4 27 4 1 3 6 15 2 3 5 3 7 16 6 2 4 5 1 1 1 2 2 4 23 77 18 10 24 11 14 12 61 8 3 2 2 2 1 3 2 5 92 8 5 1 2 15 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 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 2 2 1 1 3 4 6 7 7 10 44 42 3 2 4 1 1 1 1 1 1 1 1 1 2 2 6 5 9 8 66 11 15 65 19 85 69 11 12 17 12 1 2 2 2 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 dq 1H J 12 27 | 82 81 d 1H J 107 | 79 78 ddq 1H J 14 25 108 | 73 73 t 1H J 61 | 71 70 q 1H J 17 | 62 61 d 1H J 71 | 41 40 dq 1H J 25 72 | 41 40 d 2H J 62 | 31 30 ddd 2H J 25 44 118 | 28 28 ddd 2H J 24 44 117 | 21 20 p 1H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC(=O)Nc1cccc(C)c1C
ir: 2 2 2 3 3 8 14 14 8 8 4 4 2 10 11 9 17 9 5 3 2 3 4 6 5 3 9 3 3 4 7 16 7 11 8 9 13 6 6 7 9 10 6 1 18 82 100 64 24 9 8 7 6 2 5 7 6 3 5 4 11 3 2 5 6 5 5 6 5 12 11 3 3 3 3 2 4 3 5 7 5 6 3 2 2 1 2 4 3 3 3 7 9 11 8 2 2 3 4 6 5 3 7 12 2 4 4 2 6 5 11 6 18 11 3 6 4 3 8 6 9 8 11 8 7 33 50 38 13 14 4 5 5 2 3 4 8 5 20 14 39 58 13 28 86 40 89 37 13 6 15 54 58 12 5 4 10 17 18 73 5 4 2 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 3 4 10 4 4 3 5 6 7 5 10 28 34 26 17 24 83 21 10 10 3 2 5 4 3 3 3 3 2 2 4 2 4 10 12 14 20 40 77 73 23 16 8 9 5 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 73 72 dd 1H J 30 62 | 71 70 m 2H | 37 36 s 2H | 23 22 d 6H J 54 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1)OCc1ccccc1
ir: 1 2 2 1 1 1 2 9 2 3 5 3 4 4 4 2 1 1 2 3 1 1 3 5 8 12 12 13 5 5 8 15 10 3 11 10 5 6 4 7 14 43 41 10 9 8 34 9 4 5 2 4 1 1 3 3 2 1 1 3 2 0 2 4 11 3 4 3 7 7 3 2 2 1 1 2 2 2 4 2 2 1 1 1 2 1 2 2 5 6 2 2 2 2 2 1 1 5 6 4 2 5 5 2 4 3 4 4 19 8 3 3 5 3 3 18 4 4 5 21 8 5 4 9 5 3 2 3 2 3 2 2 2 4 20 12 5 3 9 3 3 6 6 21 8 6 17 6 3 78 7 1 3 8 3 1 1 2 3 4 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 3 5 4 6 12 12 21 34 20 10 7 3 2 2 3 2 1 1 1 2 1 2 2 2 8 100 60 11 4 5 12 22 16 5 4 2 2 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 d 1H J 66 | 74 73 m 5H | 72 72 dd 1H J 12 80 | 72 71 m 1H | 70 70 dd 1H J 8 68 | 69 69 m 1H | 58 58 d 1H J 88 | 51 51 s 2H | 39 38 m 1H | 34 33 m 1H | 31 30 m 2H | 30 29 m 1H | 29 27 m 2H | 24 23 dt 1H J 48 75 | 22 21 ddd 1H J 42 71 147 | 20 19 ddd 1H J 44 70 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc2ccc(OCC3CC3)cc12
ir: 1 1 1 4 3 1 1 1 1 1 1 1 1 1 2 4 5 3 4 1 1 1 1 1 1 5 3 1 1 2 2 4 16 20 86 19 4 6 2 2 3 4 6 4 10 5 1 1 3 1 2 2 1 5 6 21 26 6 3 2 3 1 1 2 2 2 1 3 6 24 6 5 2 1 1 1 1 4 4 2 1 2 1 1 2 1 2 2 1 1 1 1 1 2 7 2 2 3 1 1 1 1 4 2 1 1 3 6 2 3 2 2 2 2 3 2 2 3 3 3 1 2 1 2 1 0 1 1 1 1 1 1 2 3 3 1 1 5 10 3 1 1 1 3 13 74 28 20 10 10 10 3 6 2 6 9 5 4 7 2 3 1 1 0 0 1 1 1 2 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 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 1 3 0 0 1 1 1 1 1 2 1 4 9 9 6 10 13 13 100 29 5 5 6 2 0 1 1 1 0 1 1 1 0 1 2 1 0 2 3 4 6 50 15 23 14 3 2 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 80 79 d 1H J 84 | 78 78 dd 1H J 14 77 | 75 75 m 1H | 74 74 d 1H J 31 | 73 73 t 1H J 78 | 71 70 dd 1H J 28 82 | 40 40 d 2H J 44 | 20 20 s 3H | 14 13 pt 1H J 45 62 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(Cl)ccc1C1CC1
ir: 2 2 4 2 4 2 2 4 2 2 2 2 1 9 9 2 3 5 10 1 1 2 1 2 2 2 2 2 3 2 3 2 2 3 2 3 1 6 2 4 29 3 2 1 1 3 1 2 2 3 5 3 2 3 9 31 4 8 2 1 1 2 1 0 1 3 18 15 4 3 2 1 5 6 9 8 87 25 11 3 4 11 17 19 53 9 1 5 7 12 2 9 8 37 5 2 2 2 0 4 51 5 5 7 3 1 1 1 1 1 0 1 1 1 1 4 3 1 0 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 4 3 2 1 1 1 1 1 1 9 26 11 2 5 28 2 1 1 1 1 3 9 1 1 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 2 2 7 4 2 7 8 9 49 12 6 8 7 5 9 5 7 100 7 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 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 m 2H | 68 68 d 1H J 21 | 65 65 s 1H | 28 27 m 1H | 11 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(c2ccc(F)cc2)CCC2(C1)OCCO2
ir: 14 3 8 64 7 3 3 3 1 4 4 6 15 15 7 29 3 3 12 79 2 8 13 1 2 3 3 2 1 2 2 1 4 26 14 5 9 3 4 2 2 4 2 4 3 4 3 2 3 5 7 6 13 11 59 15 21 28 12 9 6 35 11 32 7 2 5 10 3 13 1 13 3 3 1 0 6 4 1 0 2 2 1 1 5 7 7 4 5 4 8 6 7 22 15 3 4 4 3 5 5 13 5 11 32 7 9 12 31 12 3 7 55 25 10 5 1 35 2 9 64 4 12 13 10 92 4 8 12 13 8 13 4 3 17 7 7 7 4 5 6 0 3 4 10 79 100 3 39 85 8 22 15 3 2 4 2 2 2 1 1 1 3 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 1 2 3 9 15 8 10 5 1 6 8 9 10 69 11 6 57 55 9 5 5 4 2 3 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 75 74 m 2H | 71 70 m 2H | 40 39 m 2H | 39 38 m 2H | 37 37 s 2H | 32 32 ddt 2H J 10 58 80 | 28 27 t 2H J 10 | 21 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(OCc2ccccc2)cc1O
ir: 1 1 1 1 1 1 2 1 1 1 1 3 7 3 4 3 1 1 2 2 1 2 2 5 2 3 2 2 4 7 5 2 5 1 1 0 1 1 2 1 6 3 5 5 2 1 1 0 0 1 0 0 0 1 1 2 2 1 0 0 0 1 0 0 1 1 3 4 6 3 1 0 0 1 0 0 1 1 2 1 2 8 4 33 1 0 1 1 2 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 2 1 1 1 1 0 7 5 1 0 0 1 0 3 3 2 3 0 0 0 1 2 1 1 2 2 1 0 1 0 3 9 3 4 2 1 2 20 24 2 1 4 2 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 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 7 16 11 9 2 0 1 2 1 7 34 3 1 1 0 0 1 1 6 6 1 1 0 0 1 1 0 0 0 0 2 8 100 7 1 0 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 86 | 74 74 m 2H | 74 74 s 2H | 74 73 m 2H | 73 73 m 1H | 64 64 m 2H | 51 50 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCSCc1cccc(C(=O)O)c1
ir: 2 2 3 3 4 4 2 1 1 2 5 2 2 3 8 5 12 15 11 4 6 90 100 37 16 2 0 7 6 5 8 9 2 2 4 4 13 5 4 5 7 3 2 3 3 4 5 7 20 4 1 2 2 4 4 2 1 1 1 1 3 3 3 2 2 2 4 5 11 8 4 2 1 2 2 3 12 79 75 5 2 1 5 2 3 1 2 4 2 3 31 46 3 2 1 2 1 1 1 2 1 1 1 1 1 1 18 17 7 3 4 4 2 2 7 8 8 4 3 4 8 10 3 2 4 3 2 2 7 4 3 2 2 1 2 1 2 1 16 16 3 5 8 25 28 67 14 8 3 1 0 2 4 7 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 1 1 1 2 2 6 12 7 19 83 17 7 4 1 1 1 1 2 12 20 4 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 79 79 m 2H | 74 73 m 1H | 73 73 tt 1H J 12 78 | 38 37 t 2H J 9 | 37 36 s 2H | 30 29 t 2H J 64 | 27 26 t 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncccc1-c1ccc(Cl)c(C(=O)NCC2(O)CCCCCC2)c1
ir: 11 14 4 11 8 14 12 19 25 6 21 6 20 14 19 5 8 19 13 7 5 8 19 9 10 19 9 9 8 25 17 20 10 13 6 9 13 8 33 77 40 31 28 17 16 13 8 8 8 4 3 6 8 13 20 13 8 2 4 5 6 2 17 11 3 0 4 1 7 12 5 6 16 7 10 15 20 17 29 12 10 18 3 8 6 7 6 11 11 7 8 16 30 13 12 3 10 4 10 7 5 6 2 3 7 4 1 15 22 52 20 14 11 9 9 6 5 9 10 9 13 21 8 13 17 18 26 18 5 19 5 5 3 10 10 26 5 9 21 4 10 6 12 21 48 27 47 26 16 24 6 21 7 9 18 14 15 2 2 2 1 1 3 3 2 0 1 1 1 2 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 1 0 0 1 0 0 1 1 0 1 1 1 1 1 0 1 1 0 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 0 2 1 1 1 2 3 3 2 3 4 3 7 9 4 6 4 5 5 7 12 24 10 22 61 79 14 14 41 38 100 31 62 22 26 9 6 7 5 2 2 5 8 9 4 7 16 16 23 23 14 32 13 6 4 3 2 3 2 1 2 1 1 1 2 2 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1; 1HNMR: 88 87 dd 1H J 22 42 | 83 82 d 1H J 21 | 82 82 dd 1H J 21 78 | 77 76 m 3H | 73 72 t 1H J 59 | 39 38 s 2H | 35 35 d 2H J 59 | 31 30 s 1H | 17 16 m 2H | 15 13 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1
ir: 4 11 9 8 5 13 13 6 9 14 17 19 18 17 12 27 1 14 31 37 23 44 25 53 19 6 5 10 5 4 4 1 1 2 2 1 1 3 5 2 1 1 4 2 2 2 3 1 3 2 1 1 5 3 2 11 5 4 6 7 14 4 15 3 2 3 12 27 13 12 3 2 2 1 2 3 4 11 17 24 16 17 7 22 17 17 13 54 100 27 15 18 6 8 5 6 8 6 20 9 28 19 8 2 3 1 3 7 3 4 3 2 5 14 5 1 3 2 1 12 12 8 8 26 0 3 5 5 4 2 2 2 1 1 1 1 1 1 1 2 2 1 4 28 7 9 10 5 5 11 44 32 16 23 11 1 2 1 1 1 1 0 3 2 1 1 0 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 1 0 0 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 2 2 1 1 0 1 3 1 0 6 8 6 90 35 2 10 6 38 23 10 4 40 16 4 3 1 1 1 2 2 2 1 6 6 7 7 10 61 4 9 2 3 3 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 73 72 d 1H J 84 | 67 66 dd 1H J 23 83 | 66 66 s 1H | 64 64 d 1H J 22 | 48 48 s 2H | 47 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(OCC(F)(F)F)c(-c2ccc3nonc3c2)c1
ir: 1 1 1 1 1 3 1 2 2 1 4 2 1 2 2 4 0 2 1 1 2 19 86 5 5 2 2 4 1 2 5 2 1 1 1 3 3 9 28 6 2 3 5 1 1 1 1 1 1 1 4 1 1 1 2 9 2 0 1 1 1 1 1 1 1 1 1 2 9 3 4 2 1 1 1 1 1 9 4 6 10 5 1 1 1 1 3 6 4 2 4 2 4 3 1 1 0 4 7 1 1 2 4 1 3 4 2 1 1 1 0 1 7 1 2 5 1 6 1 3 2 4 1 1 5 7 5 1 1 1 1 1 1 2 12 5 1 1 1 1 1 1 1 1 1 18 14 2 1 0 1 3 1 2 1 9 42 2 1 0 1 6 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 3 4 20 10 2 1 1 1 1 1 1 40 100 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 86 85 d 1H J 16 | 85 85 dd 2H J 20 33 | 80 80 d 1H J 82 | 78 77 dd 1H J 22 82 | 50 49 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)C(=O)Nc1ccc(OC)cc1N
ir: 28 36 15 17 12 5 3 5 3 13 24 11 11 8 18 11 9 9 14 5 6 9 14 8 4 6 8 10 9 23 21 9 19 40 32 41 24 16 19 13 6 6 6 3 4 11 4 1 3 14 6 8 4 1 6 15 11 4 2 4 3 1 2 3 3 6 19 17 8 7 3 3 3 3 4 3 2 3 7 4 4 2 2 5 1 1 2 3 2 0 2 1 1 4 8 3 2 1 2 2 4 23 11 13 2 1 2 3 3 5 9 3 1 2 2 3 2 3 7 4 4 4 6 2 2 2 3 3 5 2 2 2 7 3 8 24 2 13 4 3 6 5 6 7 2 20 10 12 6 10 41 15 6 6 12 13 10 24 24 4 3 3 3 14 3 2 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 2 1 1 1 2 2 3 2 3 7 5 8 19 11 0 2 2 1 0 1 3 1 1 1 1 1 1 1 3 2 10 27 19 5 9 14 100 97 14 7 8 3 13 24 6 3 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 96 95 s 1H | 76 76 d 1H J 84 | 72 71 t 1H J 50 | 67 67 dd 1H J 22 84 | 65 64 d 1H J 21 | 45 45 s 2H | 38 38 s 3H | 32 32 td 2H J 51 60 | 15 15 p 2H J 62 | 14 13 h 2H J 65 | 10 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)/C=C/c1ccccc1)C2
ir: 7 7 6 11 4 2 2 4 6 17 2 4 4 3 5 4 3 1 3 5 8 18 12 9 7 6 5 4 4 19 6 8 11 26 16 6 3 3 5 3 14 19 92 71 10 13 7 9 3 3 5 5 2 4 5 9 8 1 4 24 34 7 10 6 3 1 4 3 4 16 5 3 2 1 3 5 5 5 13 7 15 11 4 3 2 1 3 3 2 5 15 6 4 2 3 2 2 3 8 4 12 9 6 6 1 3 5 4 1 3 4 9 29 3 6 5 1 5 9 13 5 12 6 8 9 4 5 5 1 3 4 3 4 9 12 6 2 7 23 51 6 24 21 91 19 14 6 5 36 49 9 15 13 11 6 5 3 3 15 14 5 3 2 0 1 2 1 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 5 3 1 2 2 3 2 5 32 25 14 48 100 31 79 8 8 1 1 3 3 2 1 2 3 2 2 2 3 1 2 3 2 3 3 8 24 15 10 4 4 2 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 87 86 dq 1H J 10 21 | 85 84 ddd 1H J 13 20 42 | 79 79 t 1H J 61 | 78 77 dtt 1H J 9 19 79 | 76 75 m 3H | 75 74 d 1H J 77 | 74 73 m 3H | 73 72 m 4H | 71 70 m 1H | 67 66 d 1H J 154 | 65 65 dt 1H J 9 77 | 53 53 d 2H J 10 | 51 51 d 2H J 8 | 46 45 dt 2H J 9 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C)=CC=O
ir: 9 13 8 6 3 2 4 4 1 3 1 4 3 1 3 3 2 3 5 3 5 6 5 6 8 8 3 3 3 5 3 4 5 7 4 4 2 3 3 2 2 3 6 18 9 5 3 2 2 1 4 2 2 2 2 1 2 1 3 4 2 2 3 6 3 4 4 9 2 3 4 4 7 5 9 15 14 8 10 34 44 12 7 8 4 6 28 16 43 100 42 15 8 16 6 3 5 6 0 10 18 4 1 4 13 41 4 3 5 7 2 1 2 4 2 4 5 3 4 4 11 11 5 9 5 8 3 3 3 3 5 14 7 17 9 7 7 6 26 20 5 3 2 2 1 2 2 5 20 5 2 3 1 6 11 4 18 27 8 4 2 0 1 2 1 1 2 4 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 2 1 1 2 1 1 0 1 1 1 2 3 5 1 3 2 3 4 3 5 2 1 3 7 6 17 34 28 39 18 6 6 6 4 3 3 4 41 34 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 dp 1H J 9 73 | 72 71 dp 1H J 11 148 | 68 67 dq 1H J 9 148 | 60 60 dp 1H J 13 73 | 45 45 ddd 1H J 46 59 73 | 41 41 d 1H J 59 | 21 20 m 4H | 20 19 d 3H J 9 | 19 18 dd 1H J 73 130 | 12 12 s 3H | 11 11 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccc(-c2ccc(O)cc2)cc1
ir: 4 5 8 2 4 2 2 4 2 4 2 2 1 4 5 2 2 2 3 1 1 1 2 2 2 4 8 4 7 8 4 3 2 1 2 1 2 3 3 1 1 1 1 1 1 1 1 1 2 1 2 12 7 29 24 13 5 5 3 1 2 2 3 0 1 1 0 1 2 7 1 1 1 1 1 0 1 3 5 11 23 16 4 6 3 2 2 4 10 19 2 0 1 1 1 1 2 2 1 5 3 1 0 0 1 1 2 1 1 2 5 1 1 1 1 1 3 2 3 5 6 8 5 7 4 2 2 2 6 7 2 5 3 1 1 1 1 1 2 2 2 6 41 100 75 23 17 5 9 17 17 15 3 4 1 1 1 0 1 1 1 0 0 1 3 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 2 1 2 2 2 1 1 1 1 1 2 2 3 11 10 10 30 38 11 10 3 2 7 5 85 64 23 9 4 2 2 1 1 1 1 1 2 1 4 4 18 8 41 19 8 6 1 1 1 1 0 1 1 1 1 0 1 1 0 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; 1HNMR: 75 75 m 2H | 75 74 m 2H | 74 73 dt 2H J 8 84 | 69 69 m 2H | 69 69 s 1H | 58 58 t 1H J 57 | 43 43 dt 2H J 9 57 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(c2ccccc2)OC2C=Cc3ccccc3N2c2ccccc21
ir: 6 3 7 15 8 12 5 4 5 6 7 4 3 4 5 5 3 3 2 1 2 2 2 2 2 2 2 2 4 11 6 13 10 8 13 3 5 2 4 9 9 13 17 53 53 2 3 3 2 2 2 2 2 2 2 2 6 3 2 3 2 3 5 5 4 2 7 5 6 9 12 5 3 5 17 23 11 4 7 7 23 9 5 4 6 7 5 9 5 2 2 11 3 2 2 5 4 3 2 4 3 5 8 5 3 2 2 2 3 6 6 4 7 10 10 3 3 5 11 3 2 2 2 4 2 5 3 26 5 3 2 2 3 3 0 27 5 3 6 2 2 6 11 10 9 34 15 29 7 8 24 5 4 11 16 16 8 2 2 2 12 2 2 8 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 1 1 2 2 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 6 4 7 5 25 53 100 61 12 6 4 3 3 2 3 2 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 ddd 1H J 8 18 80 | 74 74 m 2H | 74 73 tdd 5H J 14 28 76 | 73 73 m 1H | 73 72 m 1H | 72 71 dd 1H J 14 78 | 71 70 ddd 2H J 16 50 65 | 69 68 dd 1H J 18 86 | 61 61 dd 1H J 38 86 | 58 58 dd 1H J 18 38 | 44 42 m 2H | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCOc1cc(C(=O)Oc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2
ir: 1 2 4 4 4 3 2 1 2 2 2 3 4 5 8 4 1 5 4 3 3 54 29 9 5 2 2 3 2 4 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 3 3 5 5 13 5 5 2 1 1 2 2 2 2 2 9 3 7 8 9 1 1 5 2 2 2 7 7 6 4 1 2 1 1 2 5 5 2 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 2 2 2 2 3 2 2 1 3 8 26 5 2 1 2 6 3 5 2 14 5 4 1 1 2 2 1 0 1 2 1 0 1 2 1 1 8 15 23 4 4 16 5 3 11 2 5 6 5 2 1 1 1 3 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 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 3 2 1 1 2 2 2 2 3 2 11 13 14 13 4 3 2 3 1 1 15 100 9 4 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 m 2H | 77 77 dd 1H J 21 83 | 74 74 d 1H J 20 | 73 72 d 1H J 82 | 72 71 m 2H | 51 51 s 2H | 38 37 t 2H J 47 | 36 35 t 2H J 47 | 34 34 s 2H | 22 22 d 6H J 48 | 22 21 hd 3H J 46 55 | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CS(=O)(=O)NCCOC(=O)Nc1cccc2ccccc12
ir: 6 2 4 4 1 4 2 1 1 1 1 2 1 1 0 1 2 2 1 1 1 0 0 1 2 3 6 6 1 2 2 5 9 18 9 6 3 2 1 3 11 3 2 2 3 15 10 4 6 25 24 6 2 1 1 1 5 7 3 1 0 3 1 1 3 12 3 8 4 4 7 13 13 4 2 1 3 3 2 4 2 3 1 1 17 1 2 11 2 3 2 0 1 5 4 1 1 2 3 3 2 3 3 7 21 34 20 8 1 1 3 3 2 3 3 1 1 2 1 0 0 0 0 0 1 1 1 1 5 10 2 1 1 0 1 2 4 3 0 0 0 1 2 3 29 2 1 1 4 5 15 5 4 1 1 1 1 2 1 2 11 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 1 1 1 7 6 6 12 10 3 5 3 2 1 0 0 0 1 1 0 1 1 0 0 1 1 2 1 19 100 7 29 30 5 3 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; 1HNMR: 79 78 m 1H | 77 77 tt 2H J 17 91 | 76 75 m 2H | 75 75 s 1H | 75 74 dd 1H J 12 79 | 73 72 td 1H J 6 77 | 66 65 m 1H | 62 62 m 2H | 60 60 dd 1H J 38 125 | 44 44 t 2H J 50 | 34 33 dt 2H J 50 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1C[C@@H]2CCCC[C@H]2C1
ir: 1 1 0 1 1 1 1 3 1 1 0 1 3 2 2 4 2 2 1 3 7 6 5 6 6 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 0 1 2 2 4 4 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 1 1 2 2 4 3 1 1 4 6 18 9 6 4 4 2 2 1 2 2 8 2 3 2 4 2 5 2 2 4 4 1 1 3 3 10 4 2 6 15 3 1 2 1 1 0 2 1 0 0 5 6 100 3 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 3 1 1 3 4 3 3 19 27 6 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 36 36 m 2H | 34 33 dddd 2H J 8 23 31 110 | 18 17 m 2H | 18 18 s 4H | 17 16 m 2H | 16 15 m 2H | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2=CCC(C)(C)c3ccc(CCc4ccc(C(=O)O)cc4)cc32)s1
ir: 0 1 1 0 0 0 0 1 0 0 0 2 2 2 3 1 0 1 1 4 8 21 19 5 3 2 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 2 3 10 4 3 2 3 1 2 2 2 1 1 2 0 0 2 2 1 1 1 2 1 1 3 8 16 5 1 0 1 1 1 2 5 4 1 1 4 2 0 1 1 0 1 1 1 1 0 0 0 1 0 2 0 1 1 1 1 2 1 1 11 4 1 2 1 1 2 1 1 1 5 3 1 0 1 1 1 1 1 0 0 0 0 0 1 1 4 4 7 3 1 1 1 1 1 2 6 3 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 0 1 1 1 1 1 3 2 10 9 5 3 2 2 2 1 2 4 23 100 15 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 79 79 m 2H | 72 72 dt 2H J 9 81 | 72 71 d 1H J 79 | 71 70 m 2H | 69 68 m 1H | 68 68 dq 1H J 8 67 | 61 60 t 1H J 46 | 30 30 d 2H J 46 | 30 28 m 5H | 25 25 d 3H J 7 | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cs1
ir: 10 11 3 6 9 4 5 4 7 3 1 5 7 3 4 6 6 5 2 6 8 2 1 5 6 3 2 8 7 6 3 7 7 6 8 17 10 9 12 8 13 8 5 10 14 26 19 19 13 4 5 9 5 1 4 11 9 2 4 12 4 1 5 14 19 20 10 38 26 12 12 13 4 3 7 25 20 3 6 6 3 2 5 6 5 10 10 7 2 3 6 15 7 5 13 7 2 5 9 5 0 10 12 7 17 12 15 10 2 5 9 5 2 7 29 14 1 6 9 6 7 38 24 10 11 25 18 11 5 5 5 3 4 6 9 9 35 20 8 3 3 6 17 23 13 12 12 4 2 7 6 1 3 6 5 5 9 6 4 1 3 6 4 0 9 34 6 1 4 7 4 0 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 3 5 5 2 2 5 4 2 3 5 5 2 3 6 5 6 8 13 6 3 5 6 5 4 7 16 24 27 30 100 42 19 10 8 6 4 5 7 3 3 6 12 7 10 13 18 13 5 5 5 7 36 28 9 2 3 5 5 2 2 7 9 5 5 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 73 72 m 2H | 70 70 s 1H | 61 61 s 2H | 48 48 d 1H J 130 | 48 47 d 1H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1cc(Br)c(Oc2cc(I)c(O)c(C(C)C)c2)c(Br)c1
ir: 90 14 42 12 5 5 5 3 1 3 7 4 2 3 3 3 2 6 6 4 4 7 4 4 3 5 3 3 3 3 5 4 2 4 7 3 3 6 17 6 6 6 11 12 7 5 5 5 15 6 4 3 2 5 3 3 3 2 3 4 5 5 6 7 16 42 59 42 16 11 6 3 3 3 4 5 4 5 7 24 10 6 18 14 34 74 15 11 16 6 3 3 13 5 3 3 4 10 4 10 19 10 12 8 5 3 5 4 4 4 2 10 14 14 9 6 6 5 5 6 10 9 7 8 9 7 4 6 4 5 4 8 6 10 14 6 5 11 8 5 3 3 10 12 24 11 22 8 3 3 2 2 3 2 3 4 2 3 2 0 3 5 3 3 2 2 3 3 2 2 2 3 3 2 2 3 3 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 3 3 2 2 3 2 2 2 2 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 3 2 3 4 3 3 3 3 2 2 2 2 2 2 2 2 3 2 2 3 3 5 3 4 6 5 4 3 5 4 4 6 8 6 7 14 17 15 91 34 10 5 4 4 5 12 100 15 3 3 3 3 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 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 t 2H J 9 | 72 71 d 1H J 22 | 68 67 dd 1H J 9 22 | 59 59 s 1H | 37 36 s 2H | 33 32 heptd 1H J 10 69 | 29 29 tq 2H J 9 83 | 28 27 td 2H J 7 82 | 12 12 d 6H 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)CC(C)C(=O)O
ir: 1 1 2 1 1 1 1 1 1 3 2 3 2 6 10 4 4 4 5 7 4 18 47 8 6 8 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 2 8 3 3 3 6 21 32 7 3 3 2 2 1 1 2 2 1 1 1 1 1 2 2 3 3 3 3 1 7 3 1 1 3 3 3 4 8 2 2 2 2 2 3 4 3 3 6 5 4 3 3 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 2 2 16 29 5 11 26 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 2 1 2 3 6 2 4 3 3 2 1 1 0 1 1 1 0 2 4 64 100 7 1 2 2 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 37 36 s 2H | 26 24 dddt 2H J 73 81 154 209 | 21 20 dt 1H J 82 136 | 18 17 dt 1H J 81 136 | 12 12 d 3H J 72 | 12 11 d 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO)CCO[C@@H]2[C@H]1Br
ir: 6 6 9 3 3 2 1 2 1 3 2 2 2 1 0 3 2 1 1 1 1 1 4 1 3 2 2 6 4 19 28 2 2 2 3 1 1 5 2 1 3 1 1 2 1 1 1 1 2 1 1 2 2 3 1 2 9 1 1 2 1 2 3 2 2 2 2 2 1 2 1 2 2 2 2 3 3 2 4 9 4 4 4 5 5 7 9 15 55 3 9 3 5 4 6 5 1 3 2 2 5 2 2 3 5 6 6 4 2 1 5 2 2 3 5 5 3 2 4 4 1 5 4 3 2 5 6 9 6 14 12 4 1 1 1 1 1 1 1 1 1 2 2 1 2 41 39 3 1 100 6 3 1 0 0 1 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 1 2 2 5 3 3 3 1 4 2 3 2 8 7 5 17 25 3 2 0 1 1 2 3 2 4 7 18 3 2 2 2 4 2 2 1 1 1 1 2 1 2 4 71 15 6 5 4 1 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 54 54 d 1H J 68 | 45 45 ddd 1H J 17 34 50 | 43 42 dqd 1H J 8 18 37 | 40 39 m 1H | 39 38 tdd 2H J 24 52 117 | 38 37 dddd 1H J 17 27 45 110 | 36 35 m 1H | 31 30 t 1H J 55 | 21 20 m 2H | 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.
CC(C)(C)OC(=O)NC1CCC(Oc2ncnc3sc4c(c23)[C@H](CCC#N)CCC4)CC1
ir: 7 5 4 3 3 2 1 1 3 2 2 2 2 2 5 2 2 7 3 3 2 1 2 3 2 4 5 10 35 17 4 4 2 3 1 3 6 7 10 28 9 4 6 8 10 2 2 1 2 4 1 3 3 5 2 1 1 4 2 4 5 2 1 4 1 2 2 1 2 1 1 1 1 1 4 2 1 2 1 1 1 3 0 1 1 1 1 0 1 1 8 5 4 6 3 2 7 5 2 2 2 1 4 4 3 2 2 7 8 5 9 4 8 6 7 6 4 4 6 7 1 4 6 2 6 3 5 6 8 7 4 7 12 17 3 2 1 2 0 1 3 2 4 2 3 83 12 4 7 45 10 2 100 2 1 13 24 4 1 1 0 1 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 8 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 3 2 3 4 2 3 3 4 2 4 4 5 8 20 5 3 2 1 1 1 0 0 1 0 0 1 1 1 2 1 1 1 0 1 1 0 0 2 2 5 25 14 5 2 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 s 1H | 49 48 p 1H J 55 | 45 44 d 1H J 71 | 37 36 dp 1H J 50 70 | 32 31 qd 1H J 27 57 | 29 28 m 2H | 26 25 dt 1H J 73 106 | 25 24 dt 1H J 74 106 | 23 22 m 1H | 21 17 m 11H | 17 15 m 3H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(CC(=O)OC)cc(OS(=O)(=O)C(F)(F)F)c1
ir: 36 30 13 10 12 19 9 10 26 36 13 10 6 8 5 5 5 5 2 7 4 5 6 77 5 7 19 27 5 14 9 11 8 12 4 3 1 2 2 2 2 2 3 3 3 4 4 9 12 7 7 4 5 5 3 3 3 2 2 2 3 6 21 29 24 23 15 28 22 17 38 81 34 23 17 8 8 3 2 3 1 1 3 8 7 42 49 0 13 10 5 10 13 5 18 8 22 28 17 4 9 8 12 9 6 2 1 2 3 2 1 2 3 5 2 4 3 5 11 7 19 4 8 3 6 6 4 9 8 8 5 3 3 3 2 2 2 2 2 2 2 4 9 19 40 18 6 4 3 1 2 4 2 2 2 2 2 3 2 3 98 32 5 5 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 2 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 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 1 2 1 2 2 1 2 3 3 3 2 2 2 4 4 5 2 3 2 4 7 20 23 9 34 100 23 11 6 1 3 3 2 1 3 3 1 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 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; 1HNMR: 69 68 td 1H J 12 22 | 67 66 t 1H J 24 | 66 66 tt 1H J 9 22 | 41 41 q 2H J 66 | 37 36 s 2H | 36 36 d 2H J 9 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc2nc(CSc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12
ir: 6 6 6 6 6 6 7 5 4 7 7 8 19 7 12 6 8 8 33 73 100 20 7 8 8 7 5 6 6 5 8 8 7 17 17 11 7 6 6 28 24 15 27 18 10 7 7 7 17 28 34 23 8 7 6 5 6 6 6 6 6 8 6 5 6 5 12 5 9 13 7 6 9 6 6 5 11 11 10 5 6 7 6 10 9 10 0 10 4 5 6 6 7 6 7 5 6 5 6 9 14 7 6 7 12 16 31 9 6 6 7 6 6 5 9 6 6 7 27 12 6 6 7 25 20 52 4 6 6 5 6 7 13 6 7 54 6 6 6 6 20 16 9 13 13 10 5 10 8 3 79 12 4 8 6 15 11 9 18 44 21 7 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 7 6 6 6 6 7 7 7 5 6 7 7 7 14 13 21 46 29 34 11 8 6 6 6 6 5 6 5 5 5 6 5 5 7 6 5 5 6 6 12 23 6 5 8 71 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 87 86 s 1H | 85 85 d 1H J 59 | 75 74 m 4H | 74 73 m 2H | 42 41 s 2H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl
ir: 10 8 7 4 3 4 5 3 3 3 4 4 10 4 8 3 3 7 3 3 7 3 3 9 15 14 4 3 4 2 7 6 3 3 4 2 3 4 3 4 8 4 3 1 2 6 2 0 1 3 4 3 2 3 2 6 12 3 10 4 5 4 7 1 7 4 7 31 18 3 2 5 7 4 3 1 2 4 2 5 14 11 3 4 8 17 3 3 28 11 2 3 3 3 2 3 5 5 100 75 21 8 3 4 4 5 3 2 4 2 2 4 7 4 4 3 2 2 2 3 6 7 12 12 9 2 6 7 3 3 2 5 5 2 0 7 8 23 7 3 3 2 1 3 6 1 22 12 32 9 2 13 12 3 2 1 1 1 1 1 1 7 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 2 2 2 2 4 3 2 2 2 3 2 9 14 10 22 44 13 4 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 s 1H | 64 64 s 1H | 50 50 s 2H | 39 39 s 3H | 36 35 m 5H | 33 32 m 4H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc(NC(=O)c3ccc(C(C)(C)O)cc3)cc(N3CCC[C@H]3CO)n2n1
ir: 2 3 2 5 2 4 4 1 3 5 9 6 5 4 3 8 6 9 10 4 9 4 8 13 9 5 7 4 7 6 2 3 3 3 2 2 1 1 1 1 1 1 3 2 4 3 4 16 6 13 27 12 5 7 2 4 4 2 4 3 2 2 2 2 1 2 2 2 2 1 4 16 22 8 7 9 7 14 7 4 3 9 10 4 3 6 3 8 24 15 7 5 3 7 10 6 3 4 4 8 2 6 2 4 4 4 3 2 2 2 2 3 2 11 9 1 1 2 3 1 2 1 2 3 2 2 3 3 2 2 3 5 2 1 3 2 3 12 2 1 1 2 8 4 17 12 3 2 7 3 5 5 8 30 4 4 2 3 100 4 1 1 7 12 29 13 7 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 1 0 1 1 1 1 1 1 1 1 2 1 4 2 2 1 1 3 3 13 4 5 10 31 11 12 9 6 13 27 40 17 7 4 2 1 1 1 1 1 1 3 2 6 5 3 6 14 7 17 7 2 1 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; 1HNMR: 95 94 s 1H | 78 78 m 2H | 73 73 m 2H | 67 66 s 1H | 58 58 s 1H | 41 40 m 1H | 39 38 ddd 1H J 43 61 110 | 37 36 m 2H | 36 34 m 2H | 31 31 s 1H | 24 24 s 3H | 21 19 m 2H | 19 18 ddddd 1H J 26 44 51 69 123 | 18 17 ddt 1H J 53 68 121 | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc2c(c1)C(NCC(O)C(Cc1cc(F)cc(F)c1)NC(C)=O)=C(O)CO2
ir: 6 13 7 12 8 5 9 8 14 14 10 8 2 11 13 9 13 8 16 14 15 29 30 16 21 8 20 18 17 17 22 28 33 18 7 25 27 21 19 13 21 24 7 1 3 4 3 3 3 6 10 3 12 12 31 4 3 6 7 5 8 4 3 4 6 13 52 57 20 34 37 11 8 4 5 2 6 7 2 12 5 8 8 3 14 10 62 23 8 26 23 38 26 22 13 35 17 2 4 3 3 3 2 4 31 3 2 5 5 2 0 7 8 17 5 5 10 9 3 9 17 12 5 13 3 10 19 6 5 4 3 21 4 3 2 3 4 2 3 5 14 29 8 14 17 72 65 13 25 7 5 26 8 5 10 2 5 0 21 84 2 1 1 1 3 1 1 2 1 0 1 2 1 1 1 3 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 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 4 3 4 4 3 4 4 4 4 5 10 20 100 97 31 25 7 4 4 14 24 25 46 18 4 4 2 3 3 2 3 7 6 4 15 29 29 55 56 65 8 8 10 8 7 2 2 2 1 1 1 3 1 1 1 2 1 1 2 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 73 73 dt 1H J 8 19 | 73 72 t 1H J 67 | 71 70 ddt 1H J 9 20 90 | 69 68 tt 1H J 22 121 | 68 67 m 3H | 66 66 d 1H J 83 | 47 47 s 2H | 40 38 m 3H | 36 35 ddd 1H J 41 68 136 | 33 32 ddd 1H J 41 68 135 | 32 31 ddt 1H J 9 61 134 | 30 29 ddt 1H J 9 62 134 | 28 27 qt 2H J 9 71 | 19 19 s 2H | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1
ir: 3 3 8 5 8 7 4 3 3 2 2 14 9 2 2 1 4 9 6 12 11 3 2 2 0 1 4 5 5 3 6 19 13 2 0 1 1 1 1 1 2 2 1 3 2 1 7 19 22 8 5 3 6 32 41 13 3 2 2 2 2 3 3 7 8 5 7 4 11 7 2 34 11 7 4 2 2 4 4 8 7 5 6 100 23 15 11 13 7 1 3 5 13 11 8 3 2 2 4 6 3 2 4 2 1 1 1 1 0 1 2 3 7 3 3 4 1 2 4 1 1 6 10 7 3 4 5 5 3 1 1 1 2 3 1 1 2 2 2 1 23 4 5 11 27 9 13 4 12 1 2 3 6 2 5 10 1 1 1 3 3 10 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 1 2 2 1 1 2 2 1 1 3 5 5 9 9 11 61 72 18 9 5 2 1 1 2 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 76 75 m 2H | 73 72 ddd 1H J 51 71 80 | 71 71 dt 1H J 22 122 | 70 70 ddd 1H J 12 21 70 | 69 68 dddd 1H J 11 22 80 101 | 42 41 q 2H J 66 | 39 39 t 2H J 72 | 27 27 t 2H J 72 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CCC(=O)c1cccnc1
ir: 6 3 2 10 14 4 0 5 10 4 3 4 7 2 0 4 5 2 1 3 4 2 1 5 6 3 2 12 7 3 4 6 7 27 100 17 8 3 6 10 6 1 5 14 20 5 3 8 3 0 2 5 3 1 5 40 9 7 7 10 6 3 22 15 4 1 6 7 6 18 5 7 2 1 4 7 3 1 5 11 4 2 5 4 1 1 4 4 1 1 4 4 1 2 5 3 1 2 5 3 0 3 5 4 1 2 6 4 1 4 6 4 5 32 17 9 3 16 15 10 5 16 10 7 4 8 6 5 6 7 8 5 2 6 9 9 25 28 12 18 8 5 6 24 33 29 8 3 3 4 5 1 6 14 11 28 6 4 4 1 44 14 4 4 3 4 3 1 3 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 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 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 1 2 4 3 1 2 4 3 2 3 7 3 1 4 5 4 2 3 5 4 4 8 20 12 9 11 20 34 3 4 6 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 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 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 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; 1HNMR: 91 91 t 1H J 17 | 88 87 ddd 1H J 16 26 45 | 82 82 ddd 1H J 19 27 77 | 74 73 dd 1H J 48 78 | 30 30 t 2H J 77 | 16 15 t 2H J 76 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(N2C[C@@H]3C[C@H]2CN3c2ccc(C(=O)O)cc2)c1
ir: 2 11 16 11 3 5 9 4 5 8 9 9 3 23 8 16 9 15 12 16 12 51 92 54 7 9 6 5 5 8 8 4 5 21 29 3 4 6 8 4 3 5 4 2 2 6 6 28 31 14 6 2 6 6 16 22 16 20 13 12 10 8 8 14 14 14 16 31 18 17 20 14 6 9 7 37 49 10 27 26 37 10 5 5 6 5 4 4 7 10 4 5 8 8 13 11 20 15 19 27 13 9 4 3 5 4 4 7 10 8 10 7 10 8 7 32 15 6 6 4 4 7 17 22 9 4 1 5 8 5 3 5 5 3 2 5 7 2 2 6 10 21 64 70 29 9 7 7 9 3 4 18 89 100 27 17 13 4 3 5 4 5 14 10 12 3 3 5 3 0 3 5 3 1 3 5 3 1 3 5 3 1 13 16 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 1 1 4 4 2 2 4 3 2 2 4 4 2 2 5 3 1 3 5 4 3 5 10 4 1 7 10 6 8 16 35 26 50 59 9 9 4 4 5 5 8 50 98 7 2 4 6 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 1 3 3 2 2 3 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 3 4; 1HNMR: 79 78 m 2H | 75 75 ddd 1H J 13 22 68 | 73 73 t 1H J 67 | 73 72 t 1H J 22 | 69 68 m 3H | 42 41 ddtd 2H J 9 20 29 78 | 41 40 dd 1H J 9 107 | 39 39 m 2H | 37 37 dd 1H J 30 106 | 22 21 ddt 1H J 14 28 112 | 20 19 dt 1H J 20 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(N)cc(-c2ccco2)n1
ir: 9 11 25 8 8 13 7 8 7 7 7 15 9 7 9 8 10 10 15 16 10 15 6 8 8 5 5 7 6 6 6 7 6 7 6 8 8 4 12 5 7 6 6 6 6 6 6 7 8 4 70 2 7 10 6 3 5 8 7 5 7 5 8 9 92 47 15 9 12 9 5 5 6 10 8 19 7 6 5 4 6 6 13 6 6 5 5 4 5 6 5 5 6 5 4 7 5 5 4 5 6 5 5 5 20 5 4 5 13 5 4 5 6 6 4 7 6 6 7 18 16 5 6 6 8 5 4 5 7 5 4 18 100 7 6 5 6 5 5 5 7 6 12 7 7 0 47 15 8 20 42 11 78 42 14 7 6 6 5 8 9 17 9 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 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 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 7 5 9 30 6 7 19 14 19 18 10 12 5 5 5 5 5 5 6 5 5 6 5 9 40 31 6 5 5 5 5 6 5 6 6 9 21 98 4 7 5 4 5 5 5 6 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 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 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 75 75 t 1H J 15 | 70 70 m 2H | 68 67 dd 1H J 12 58 | 59 59 s 2H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cc1ccc(O)c(O)c1)N1CC(c2cccc(Cl)c2)OC1=O
ir: 1 1 1 1 3 1 4 7 11 14 23 22 5 6 3 3 4 2 2 8 4 1 2 3 2 1 3 1 1 1 1 7 2 2 1 2 1 1 2 2 12 15 2 2 1 2 3 6 3 3 1 1 1 3 4 4 1 1 1 1 1 1 1 1 1 4 9 6 2 2 1 2 3 4 3 2 5 10 24 9 16 9 4 3 1 1 3 7 1 7 2 5 3 2 8 6 2 1 1 2 6 1 1 1 0 13 4 4 2 1 1 3 5 4 1 1 1 2 4 3 2 3 3 3 2 3 2 2 2 1 2 3 1 1 1 2 2 1 1 2 8 1 1 1 2 1 1 1 1 2 16 37 3 2 5 2 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 5 4 6 26 4 6 2 1 2 3 7 100 23 4 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dq 1H J 7 24 | 74 73 m 2H | 73 73 m 2H | 68 67 s 1H | 67 67 ddt 1H J 9 17 88 | 67 66 d 1H J 88 | 66 65 dt 1H J 8 18 | 56 56 m 1H | 44 43 h 1H J 72 | 41 40 dd 1H J 29 121 | 38 38 dd 1H J 29 121 | 30 29 ddt 1H J 8 73 124 | 28 27 ddt 1H J 8 73 124 | 13 12 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CNC(=O)c2cc(-c3cnc(N)nc3)nc3c2cnn3C(C)C)c(=O)[nH]1
ir: 2 4 3 6 4 3 2 3 4 2 6 3 5 3 4 5 4 6 4 6 2 3 2 5 10 12 5 4 3 3 3 3 3 5 10 6 6 13 34 28 21 8 8 6 5 11 6 3 31 13 6 7 7 1 3 4 4 2 2 2 1 2 2 3 2 4 4 13 7 3 2 3 2 3 3 5 5 3 2 2 1 1 1 1 2 2 2 2 1 2 2 2 2 2 2 3 6 5 4 5 4 2 2 2 3 3 1 2 2 2 2 2 1 2 2 2 3 2 2 4 4 4 4 3 8 6 4 2 4 3 3 2 4 4 4 4 5 4 3 4 3 7 12 27 83 55 30 15 14 17 9 3 4 14 7 1 2 4 17 25 6 19 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 4 12 4 3 3 2 2 1 1 2 2 2 2 1 3 5 3 4 7 22 3 6 6 8 17 20 17 5 5 8 20 100 7 0 4 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 s 1H | 89 88 s 2H | 85 84 s 1H | 83 83 s 1H | 83 82 t 1H J 58 | 66 66 s 2H | 60 59 p 1H J 12 | 49 48 dq 1H J 50 99 | 44 43 d 2H J 57 | 24 24 d 3H J 13 | 21 21 d 3H J 9 | 15 15 d 6H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CCO)c1ccccc1
ir: 2 1 2 1 2 5 5 3 3 2 2 2 5 6 4 0 0 0 1 1 1 1 0 1 1 1 1 1 2 5 13 10 5 3 2 1 1 1 1 2 96 81 6 1 2 2 4 2 1 3 3 4 1 2 1 0 1 3 3 4 5 4 1 4 2 4 13 16 19 3 4 7 13 13 4 2 4 7 8 6 2 11 5 8 8 21 35 58 30 100 78 20 10 10 13 6 9 4 5 2 2 2 1 4 2 2 3 5 6 4 2 2 3 3 4 4 3 3 4 2 2 2 1 1 1 1 1 1 2 1 2 2 4 6 3 17 23 2 2 1 1 2 6 21 18 4 3 1 1 0 0 4 4 1 1 0 0 0 0 1 0 0 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 3 1 4 2 3 2 2 5 7 6 5 7 12 17 34 86 31 9 4 4 5 10 13 88 14 6 4 3 3 3 1 2 2 1 2 3 2 2 2 2 1 1 1 1 1 1 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; 1HNMR: 73 72 m 3H | 72 71 m 2H | 37 36 dq 1H J 59 116 | 36 35 dq 1H J 60 116 | 31 31 t 1H J 55 | 28 27 pd 1H J 63 71 | 20 19 ddt 1H J 61 71 140 | 17 16 ddt 1H J 61 71 139 | 12 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(NC(=O)N2CCC(C)c3ccccc3N(Cc3ccccc3)C(=O)C2)c1
ir: 3 3 2 2 1 4 5 2 2 3 3 3 2 3 2 2 2 2 9 5 1 6 3 2 3 2 2 1 5 5 6 4 7 3 3 2 7 6 4 14 40 15 12 5 8 5 20 7 6 4 6 13 5 2 2 3 3 1 1 1 1 2 1 2 1 1 2 2 4 5 1 3 2 3 3 3 4 7 5 3 3 2 1 2 3 1 1 2 3 11 4 1 4 3 2 1 2 1 4 3 2 1 2 4 4 14 1 2 6 2 2 1 1 1 1 2 5 5 2 2 4 10 5 4 2 2 3 4 2 4 3 2 2 2 8 9 6 6 2 2 14 5 5 3 7 11 100 5 5 34 5 1 21 2 5 6 19 2 1 5 2 13 3 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 2 2 2 2 3 2 3 8 10 8 54 27 23 5 2 2 2 2 1 2 1 1 1 1 1 1 1 2 2 1 2 2 3 2 15 32 33 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; 1HNMR: 85 85 s 1H | 74 74 ddd 1H J 12 22 79 | 73 71 m 10H | 71 70 ddd 1H J 26 69 83 | 70 69 t 1H J 76 | 68 68 m 1H | 52 52 t 2H J 8 | 42 41 s 2H | 36 36 dt 1H J 81 132 | 35 34 dt 1H J 81 132 | 32 31 m 1H | 23 23 m 2H | 22 21 dtd 1H J 65 82 128 | 19 18 dtd 1H J 65 82 128 | 13 12 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2ncccc2c1)c1cnc2ccc(Cl)nn12
ir: 1 1 2 1 2 2 2 1 0 1 2 5 2 3 5 1 0 1 1 1 0 1 2 2 5 2 2 1 1 2 1 0 0 2 3 2 4 8 9 6 2 2 5 4 7 13 6 4 5 5 3 23 27 32 46 23 14 6 1 0 1 2 1 2 3 2 2 1 7 20 2 1 1 2 1 1 2 6 2 1 2 1 1 0 1 1 1 3 2 2 1 1 2 2 7 2 2 3 4 2 6 4 1 8 7 2 0 4 6 6 11 16 3 4 4 1 2 1 0 1 2 5 7 9 6 2 1 1 2 1 0 1 2 2 32 11 8 1 1 2 2 3 3 16 15 5 24 4 1 1 3 2 25 18 2 10 5 18 2 1 1 0 1 2 1 1 1 10 17 1 5 2 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 2 1 2 2 2 9 27 44 100 32 9 9 3 3 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 89 dd 1H J 17 42 | 86 86 dq 1H J 9 20 | 84 83 s 1H | 83 82 dt 1H J 19 83 | 82 81 d 2H J 10 | 77 76 d 1H J 90 | 76 76 dd 1H J 42 82 | 76 75 d 1H J 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CC1CCCCC1)N1CC(Oc2ccc(C)nc2)=CC1=O
ir: 9 9 6 30 14 5 24 11 21 6 8 17 8 8 2 4 4 3 2 4 5 5 2 3 3 5 9 4 6 6 3 3 14 21 8 25 85 13 10 3 3 5 3 3 3 2 3 7 3 2 4 10 17 23 19 10 4 4 4 4 9 14 12 14 11 9 4 15 8 44 14 16 8 2 3 5 7 11 23 17 5 6 10 3 2 2 13 7 8 11 17 9 3 1 8 5 3 5 4 5 3 3 3 4 4 9 8 17 15 5 11 5 8 9 13 9 8 11 3 11 14 40 36 14 21 12 12 6 14 11 5 7 16 6 6 8 31 15 7 3 3 5 49 38 12 7 8 7 15 50 7 3 3 3 3 0 2 9 11 100 60 18 5 3 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 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 2 2 3 4 3 2 3 4 6 9 6 6 8 6 9 9 13 44 7 45 35 38 19 4 3 4 2 2 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 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 0; 1HNMR: 81 81 d 1H J 19 | 72 71 dd 1H J 9 81 | 71 70 dd 1H J 19 83 | 56 56 t 1H J 9 | 46 46 t 1H J 81 | 42 42 dd 1H J 9 132 | 41 40 dd 1H J 10 134 | 37 37 s 2H | 25 25 d 3H J 7 | 20 19 ddd 1H J 73 81 130 | 18 16 m 2H | 15 14 m 6H | 14 13 m 1H | 14 12 m 3H | 12 12 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(CCc2ccccc2C(F)(F)F)n1-c1ccc(F)cc1
ir: 2 2 0 2 3 1 0 2 4 2 2 4 4 2 5 2 14 6 2 1 2 1 0 1 2 1 1 1 1 0 0 1 1 1 2 2 4 6 4 3 2 7 24 17 4 1 4 3 2 1 3 16 10 3 7 12 19 8 4 2 4 3 5 3 2 2 2 1 2 6 2 2 4 2 4 2 3 6 2 1 1 2 2 1 1 1 1 4 2 4 5 10 6 3 4 7 8 2 6 11 7 4 1 1 1 4 2 3 9 3 4 3 2 6 12 7 12 12 3 4 15 6 8 3 3 7 9 5 5 3 6 3 2 2 3 7 4 4 5 1 2 1 2 2 25 5 5 15 18 18 10 1 2 9 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 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 1 1 1 1 1 1 1 1 3 3 6 5 5 4 3 5 7 3 3 33 5 37 100 19 8 5 3 2 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 s 1H | 76 75 dp 1H J 14 105 | 74 73 ddd 1H J 18 71 105 | 73 73 m 2H | 73 72 td 1H J 13 71 | 72 71 m 3H | 43 43 q 2H J 64 | 31 31 m 2H | 31 30 ddt 2H J 8 56 63 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(N)cc1Br
ir: 3 6 6 4 2 2 1 1 2 2 1 3 2 17 20 23 15 2 3 2 2 2 1 2 0 1 2 1 1 2 1 2 2 3 0 1 1 1 0 1 1 1 0 1 0 0 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 3 3 2 8 0 1 1 2 5 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 1 3 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 1 1 6 9 14 7 4 1 1 1 0 2 4 14 3 0 1 0 1 1 1 1 4 10 13 1 1 2 20 64 100 8 2 3 2 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 1 2 1 2 1 1 1 1 1 3 7 5 1 1 1 1 0 1 1 1 1 1 0 0 1 2 9 57 37 2 1 1 1 0 1 1 1 1 10 14 58 8 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 41 41 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(c1ccc(O)cc1)N1CCOCC1
ir: 7 4 0 2 5 9 6 2 4 2 3 1 2 6 3 3 6 13 0 2 1 2 0 1 1 2 2 2 3 11 3 2 1 2 3 1 1 1 3 9 2 1 1 3 2 2 2 1 1 1 1 3 3 2 20 26 65 21 3 7 2 2 2 5 2 3 3 1 2 5 2 4 10 10 3 2 2 5 11 76 60 62 10 3 7 8 37 8 3 41 20 5 12 3 3 3 2 2 2 4 5 7 4 1 1 1 5 1 1 4 4 2 1 3 2 1 2 3 6 4 3 7 3 11 5 3 2 3 2 3 6 4 1 1 2 2 1 1 1 1 1 1 1 1 1 2 3 15 16 5 5 1 11 2 2 1 1 1 1 0 1 2 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 1 2 2 2 2 2 2 2 5 4 17 7 17 59 15 0 2 3 1 0 4 100 20 3 1 0 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 74 s 1H | 71 71 m 2H | 67 67 m 2H | 37 36 m 4H | 34 33 m 1H | 29 29 ddd 2H J 33 56 124 | 27 27 ddd 2H J 34 55 124 | 21 19 m 1H J 72 | 10 9 dd 3H J 15 73 | 9 9 dd 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CO/N=C(/c1ccc(F)c(F)c1)c1ccc(CO)cn1
ir: 4 7 8 6 5 14 9 6 8 7 3 6 4 7 4 4 3 3 10 8 3 5 3 3 6 7 2 3 5 2 3 2 3 3 4 9 10 5 4 3 2 1 2 3 5 9 2 2 3 3 5 7 9 7 39 28 10 6 3 5 3 2 5 5 3 2 3 7 13 0 18 6 1 1 3 4 2 5 15 35 26 27 14 11 6 12 24 27 11 10 8 10 8 7 6 6 9 8 4 8 11 6 4 6 8 12 10 6 4 2 3 2 1 2 2 2 1 2 4 4 9 7 6 6 4 5 4 11 16 9 16 45 1 4 3 1 1 2 2 1 2 4 3 1 1 11 4 2 2 3 8 20 4 6 3 1 1 2 2 1 8 6 3 1 2 2 2 1 1 2 1 0 2 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 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 3 3 3 3 3 4 3 2 3 4 3 4 5 8 12 14 19 8 25 8 8 5 13 6 65 100 34 9 6 6 3 2 4 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 84 dt 1H J 8 18 | 78 77 ddt 1H J 9 18 80 | 76 74 m 3H | 73 73 ddd 1H J 47 90 101 | 48 47 dt 2H J 9 62 | 42 42 t 1H J 61 | 39 38 s 2H | 27 27 s 1H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)OCCOC(=O)NCC1CCC(C(=O)O)CC1
ir: 11 6 5 3 12 17 6 6 9 18 12 8 14 9 2 7 9 6 3 16 13 17 58 18 29 74 26 22 24 12 4 6 3 1 2 2 1 1 1 1 2 1 2 3 2 1 2 3 1 1 1 3 6 5 2 2 1 2 2 2 3 1 2 2 1 1 5 2 2 2 2 2 2 4 5 6 12 6 11 28 4 4 2 2 1 1 1 2 2 1 2 1 2 2 4 13 12 6 4 3 1 2 2 2 4 5 9 8 15 6 7 6 13 9 1 4 4 3 7 9 17 14 6 10 5 4 3 2 3 7 7 4 3 3 8 4 1 3 3 2 6 11 7 66 100 35 37 5 4 56 2 3 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 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 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 2 4 6 4 3 2 2 3 3 15 6 5 21 3 2 1 2 1 1 1 1 2 2 5 78 9 3 3 1 0 1 2 1 1 2 2 2 10 19 44 81 9 4 2 2 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 49 49 t 1H J 66 | 44 43 d 4H J 16 | 32 31 dd 2H J 43 65 | 26 25 hept 1H J 74 | 20 18 m 4H | 17 16 m 4H | 15 14 m 2H | 12 11 d 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1nc(-c2cccc(Br)c2)n2c1CCCC2
ir: 2 1 2 4 2 2 2 2 2 2 4 2 4 7 3 4 3 6 24 7 5 6 10 100 78 17 8 3 3 5 5 6 6 4 3 2 3 3 4 2 2 1 2 1 4 2 3 21 3 2 5 4 2 2 1 1 2 4 2 1 2 2 1 1 2 2 2 1 5 4 2 2 2 3 2 1 4 18 51 15 5 0 4 6 4 4 4 3 5 2 7 4 2 2 2 4 11 6 5 3 1 2 2 1 1 1 2 2 1 2 5 4 5 15 32 5 5 4 4 2 2 3 8 3 2 2 3 3 3 2 1 1 3 3 2 7 16 7 13 5 2 5 2 1 1 2 5 1 1 1 1 1 2 2 3 2 6 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 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 2 1 1 1 2 1 2 3 2 2 1 2 2 1 1 2 6 16 2 4 27 9 3 2 2 2 1 2 3 3 75 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 78 ddd 1H J 12 21 77 | 78 78 t 1H J 22 | 75 75 ddd 1H J 12 22 81 | 74 73 t 1H J 78 | 41 41 m 2H | 28 27 m 2H | 20 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nn(C(C)CCCc2ccccc2)c(N)c1C#N
ir: 11 7 5 5 3 3 1 8 9 7 2 8 4 6 4 2 2 2 2 2 1 3 1 2 1 1 2 2 2 2 10 5 2 2 2 3 3 2 18 16 21 6 3 3 3 3 1 2 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 4 2 0 1 2 1 2 3 2 1 1 1 1 1 1 1 2 0 17 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 4 1 3 5 1 2 2 2 11 8 5 2 1 1 1 2 2 11 18 2 2 1 4 1 1 3 1 1 1 1 1 1 8 35 14 3 2 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 7 1 1 1 0 0 1 0 0 1 1 0 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 3 1 1 1 2 2 2 2 2 7 5 5 18 5 3 2 2 2 1 1 1 0 0 1 1 0 0 1 1 1 2 15 2 1 0 1 1 0 1 2 2 1 10 100 15 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 17 78 | 43 43 h 1H J 49 | 40 40 s 2H | 29 29 s 2H | 27 26 m 2H | 21 20 dtd 1H J 46 81 139 | 19 17 m 2H | 17 16 m 1H | 12 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3cc(C)c(NC(=O)Nc4ccccc4C)cc3C)c2cc1OC
ir: 1 1 0 1 2 8 2 1 1 1 1 2 1 1 1 1 3 2 8 1 2 1 2 2 2 9 7 3 2 2 1 1 2 3 1 2 1 5 1 4 2 5 9 11 17 9 3 5 1 0 3 5 2 5 3 1 1 7 2 1 3 3 2 3 1 4 3 3 7 5 3 10 7 5 7 6 2 1 1 2 3 2 1 1 1 1 1 1 1 1 9 2 2 3 11 2 1 6 2 2 3 4 10 9 1 2 1 1 0 1 1 1 1 1 1 5 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 10 2 13 5 4 2 1 1 1 1 7 3 9 50 1 5 4 12 6 15 8 13 4 5 40 5 2 1 2 1 1 2 1 1 1 1 0 1 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 0 1 1 1 1 0 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 0 2 3 5 1 12 100 11 9 4 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 2 3 13 25 21 8 15 12 5 3 2 1 0 1 1 0 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 49 | 82 82 s 1H | 81 81 s 1H | 77 76 s 1H | 74 74 dd 1H J 11 84 | 74 74 s 1H | 74 73 s 1H | 73 73 ddd 1H J 11 70 79 | 72 72 m 2H | 69 69 d 1H J 49 | 67 67 s 1H | 39 39 s 3H | 39 38 s 3H | 23 23 s 3H | 23 23 d 3H J 7 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C#N)c1ccc(NC(=O)OC(C)(C)C)cc1CN(C)C(=O)OC(C)(C)C
ir: 12 6 6 6 8 21 10 4 8 15 24 18 15 9 4 2 4 8 6 4 3 2 1 3 2 3 4 5 8 6 11 21 37 22 15 7 7 8 17 5 2 3 3 2 2 3 2 2 2 2 2 2 5 7 6 36 5 2 3 3 2 2 3 4 3 3 9 26 8 3 7 10 10 11 3 2 2 2 2 2 2 2 7 4 1 2 2 3 2 2 2 4 6 10 8 6 2 4 6 6 2 2 3 4 14 10 3 2 1 5 5 3 3 7 3 3 4 8 10 8 13 8 14 9 9 6 9 8 0 14 14 7 12 8 11 5 3 2 2 2 2 3 3 2 27 100 28 8 16 16 57 63 8 7 16 14 22 3 2 2 1 1 3 8 17 3 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 7 1 1 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 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 2 2 2 3 4 3 2 2 2 2 2 3 2 6 9 6 8 15 5 16 35 17 17 3 2 17 10 10 3 3 2 3 2 2 1 2 2 2 2 2 3 2 3 11 50 81 14 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H | 77 76 dt 1H J 8 19 | 74 74 d 1H J 83 | 74 73 dd 1H J 21 83 | 58 58 d 1H J 16 | 56 56 d 1H J 16 | 45 44 d 2H J 7 | 30 30 s 3H | 15 14 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)cccc3n2)c(-c2ccccc2)s1
ir: 1 4 6 6 13 4 6 5 3 8 28 8 3 6 5 7 3 5 5 13 31 8 23 13 4 4 15 5 4 4 14 9 34 23 20 9 7 10 10 17 55 29 12 7 7 8 4 8 7 6 3 3 4 20 81 11 5 5 6 5 8 6 8 16 11 9 28 30 13 26 6 6 11 14 6 36 8 4 5 3 5 4 8 15 20 28 3 2 5 8 35 4 8 5 6 7 10 6 17 9 12 20 14 6 7 8 8 28 36 6 2 6 6 14 4 3 9 5 4 6 6 13 29 8 11 10 5 13 10 12 6 5 3 5 4 100 19 9 5 4 4 10 23 21 36 11 7 11 58 4 4 6 16 2 5 21 25 3 2 4 3 2 2 3 2 0 3 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 1 2 5 5 6 7 8 4 3 6 9 6 11 18 21 20 73 44 95 53 33 9 3 10 6 5 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 1 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 79 78 dd 1H J 13 76 | 78 77 dt 1H J 9 44 | 77 77 m 2H | 75 75 ddd 1H J 49 67 75 | 75 74 m 3H | 71 70 ddd 1H J 13 67 106 | 42 41 qd 1H J 50 74 | 39 38 m 1H | 38 37 m 1H | 31 30 ddd 1H J 9 73 130 | 29 29 s 2H | 28 28 ddd 1H J 8 73 130 | 20 19 ddt 1H J 51 81 125 | 18 16 m 5H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(NC(=O)CBr)cc1
ir: 4 3 3 4 4 8 5 5 4 2 1 2 2 1 2 4 2 2 2 2 3 5 4 20 40 16 5 7 5 13 10 5 7 5 7 12 11 4 10 12 11 6 2 3 9 20 7 4 4 2 4 8 15 5 6 6 24 34 5 4 2 2 2 2 1 1 2 2 2 6 2 2 2 1 2 3 2 2 2 2 1 1 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 3 3 6 4 3 6 9 51 5 2 4 8 3 2 2 2 2 2 2 2 3 4 4 3 2 3 3 3 3 12 3 2 2 2 2 2 2 1 2 2 2 2 3 2 2 4 14 4 6 28 11 100 26 10 12 5 16 8 2 3 3 2 2 2 15 5 3 2 4 2 0 1 3 2 0 1 2 1 1 2 2 1 1 2 3 5 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 1 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 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 4 5 4 2 1 2 2 2 2 3 3 15 13 31 43 26 5 4 5 5 3 2 3 3 2 2 2 2 2 2 3 2 3 2 2 4 17 22 86 27 11 5 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 93 93 s 1H | 77 77 m 2H | 76 76 m 2H | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C(=O)Oc2ccccc2)cnc1CN1CCOCC1
ir: 6 4 3 7 6 4 3 7 8 5 13 3 1 2 2 1 0 2 3 2 1 3 2 2 6 8 10 6 8 6 4 7 6 14 20 13 63 18 13 5 31 61 20 6 7 9 3 2 1 3 2 1 2 5 4 70 6 4 3 5 3 3 2 3 6 7 7 3 20 7 3 2 32 5 2 4 3 4 5 47 8 5 15 4 3 3 11 2 4 10 3 7 12 9 2 9 1 4 5 3 4 4 6 26 7 3 2 2 3 7 1 4 10 10 7 14 15 44 7 5 14 15 16 18 37 10 5 7 7 19 4 12 6 5 5 57 6 4 4 4 5 4 9 27 59 10 4 3 4 2 6 12 6 4 1 2 1 1 1 13 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 2 2 1 0 1 1 1 1 1 1 0 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 3 6 5 4 5 13 15 14 7 6 6 4 5 5 9 68 75 17 58 100 91 21 20 5 7 2 2 3 3 2 1 1 2 1 1 2 2 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 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 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; 1HNMR: 78 78 s 1H | 76 75 m 1H | 74 74 m 2H | 73 72 m 2H | 40 40 s 2H | 38 38 s 3H | 37 36 m 4H | 27 27 dd 4H J 39 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)cc1
ir: 23 7 4 5 0 3 3 4 3 8 8 6 3 3 5 5 5 16 10 4 2 1 6 4 15 24 39 56 100 6 12 7 4 5 4 4 3 6 7 2 1 1 1 0 1 2 3 3 1 5 5 9 5 25 20 38 7 4 12 13 4 10 5 6 2 33 1 1 2 8 7 4 30 20 1 5 1 1 1 1 1 1 1 1 4 6 1 7 16 6 5 4 2 2 14 23 7 8 23 21 5 5 2 1 2 2 2 2 2 2 4 4 2 1 1 4 6 3 13 18 12 8 14 8 4 6 8 8 32 13 10 11 5 1 1 1 1 1 1 1 1 4 19 48 73 14 9 8 9 39 23 6 7 9 2 1 1 1 1 1 1 0 1 5 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 0 2 2 4 3 3 2 4 3 5 2 1 2 2 3 9 19 17 22 15 23 16 4 3 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 3 10 46 33 21 5 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 dt 2H J 9 88 | 68 68 m 2H | 58 58 t 1H J 57 | 43 42 dt 2H J 9 55 | 39 38 m 4H | 32 32 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNS(=O)(=O)c1cc(C(=O)NC2CCc3ccccc32)ccc1NCc1ccccc1
ir: 1 2 1 1 2 3 4 2 1 3 2 1 1 1 2 10 7 3 2 4 3 3 4 13 8 4 10 3 6 13 7 8 7 4 3 2 7 3 6 17 32 100 56 18 8 7 6 10 8 5 4 3 2 5 8 20 10 8 2 1 6 3 4 3 3 7 14 8 7 8 7 8 4 4 2 2 5 6 4 3 3 3 2 3 9 17 31 15 7 6 2 2 4 3 3 4 3 4 4 8 7 36 7 14 17 14 40 13 7 11 6 3 6 7 5 5 1 5 11 5 5 3 3 6 5 3 5 6 3 3 3 4 1 2 4 12 5 7 6 6 1 3 8 20 13 11 5 5 7 17 8 29 17 15 13 3 16 1 3 2 2 2 1 3 8 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 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 1 1 1 1 2 2 2 2 1 2 1 2 2 16 4 10 52 14 14 3 1 3 3 1 1 2 4 2 1 3 4 3 2 4 3 4 16 16 52 35 75 40 20 6 12 13 7 4 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1; 1HNMR: 86 85 d 1H J 22 | 80 79 m 2H | 74 72 m 11H | 65 64 m 2H | 57 56 m 1H | 45 44 dt 2H J 9 54 | 31 30 d 1H J 65 | 31 30 d 1H J 66 | 30 30 dddd 1H J 8 57 75 152 | 29 28 dddd 1H J 9 59 77 152 | 24 23 dddd 1H J 41 57 77 135 | 21 20 dddd 1H J 41 58 75 134 | 17 16 dh 1H J 66 132 | 16 15 q 2H J 64 | 10 10 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1C(=O)C(CO)(c2cc(F)ccc2O)c2ccccc21
ir: 12 3 9 10 5 4 6 8 43 9 13 8 6 7 10 9 11 11 5 9 6 7 11 9 14 21 13 8 8 10 11 8 4 4 21 7 10 4 11 10 3 6 11 50 5 6 5 1 2 3 2 2 3 13 10 8 3 4 2 2 4 7 4 5 3 5 9 14 4 2 2 3 5 4 2 5 2 2 11 2 3 3 2 3 8 10 38 77 59 75 13 12 8 25 9 7 6 15 29 11 5 9 8 9 24 33 13 6 4 2 0 4 5 4 3 2 16 4 6 7 3 4 4 3 5 3 5 1 1 2 2 2 2 8 2 1 2 4 22 2 2 2 12 32 7 7 1 1 5 8 18 11 2 6 13 2 1 1 1 12 2 1 7 2 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 0 1 2 1 2 3 2 3 1 2 2 2 3 2 3 5 10 23 9 11 55 50 27 16 51 37 25 15 100 31 7 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 m 1H | 73 72 m 2H | 73 72 m 1H | 71 70 m 2H | 69 68 m 1H | 66 66 s 1H | 47 47 dd 1H J 64 114 | 45 44 dd 1H J 64 115 | 39 38 m 2H | 35 34 t 1H J 63 | 18 17 m 2H | 14 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NCCNC(=O)/C=C/C(F)(F)F)c(C)n1
ir: 9 7 5 4 1 5 9 22 39 24 17 13 10 12 10 13 5 7 10 29 65 15 45 29 16 7 2 7 2 7 3 2 9 7 27 14 54 32 12 6 2 3 3 2 2 3 1 1 1 1 1 1 3 5 37 4 2 3 3 3 2 3 3 8 6 26 5 3 3 12 2 3 1 1 2 2 1 2 4 4 8 31 33 12 5 4 3 6 8 6 3 2 3 22 2 5 5 5 6 41 35 10 13 20 23 26 16 6 7 4 3 5 6 2 2 3 4 3 2 5 3 17 19 7 5 5 16 5 13 16 22 15 10 24 55 96 18 9 15 15 100 51 21 12 26 61 58 33 14 10 54 9 4 3 2 1 1 2 1 1 4 2 4 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 5 4 4 4 8 14 19 18 30 10 11 4 1 2 2 2 1 1 1 1 2 1 2 1 1 2 5 7 6 9 16 54 63 74 11 28 7 10 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 t 1H J 49 | 71 71 d 1H J 86 | 68 67 dq 1H J 71 156 | 66 66 d 1H J 84 | 64 63 dq 1H J 15 156 | 55 55 t 1H J 52 | 39 39 s 3H | 36 35 dt 2H J 43 52 | 34 34 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2c(c1)C=CC(=O)CO2
ir: 9 5 8 4 6 4 6 8 10 5 8 4 7 5 24 13 6 4 3 7 4 1 3 12 20 13 2 6 3 3 1 5 11 7 4 8 5 2 3 8 6 7 26 22 4 2 5 8 8 2 10 21 9 5 41 22 7 8 4 9 8 1 2 4 3 2 21 39 41 2 5 6 3 1 3 4 3 1 3 3 1 1 3 3 1 1 6 16 13 5 6 4 2 6 6 3 1 2 15 33 7 5 4 2 1 2 3 3 4 6 6 3 2 5 11 7 5 10 16 5 4 3 6 13 6 6 60 16 16 4 5 3 10 18 11 5 6 6 5 13 29 62 22 30 35 19 7 5 4 8 22 16 8 5 12 13 3 4 4 3 3 4 2 0 3 6 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 4 4 4 4 4 6 5 5 2 5 6 5 4 4 18 35 51 100 30 58 7 8 4 3 2 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 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 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 81 81 d 1H J 22 | 80 80 dd 1H J 22 86 | 76 76 d 1H J 108 | 71 71 d 1H J 85 | 65 65 dt 1H J 9 106 | 47 46 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.
O=Cc1cc(-c2ccccn2)cs1
ir: 8 5 5 6 2 4 5 2 1 4 16 4 1 7 8 3 3 6 5 2 7 17 7 2 1 5 9 23 7 6 12 10 7 11 5 3 3 4 3 1 4 4 4 1 2 4 8 7 3 6 3 1 3 5 3 2 7 12 15 2 9 40 12 2 4 5 3 1 3 4 2 1 3 4 2 3 3 4 4 3 5 13 7 3 6 4 2 5 6 7 4 4 13 5 1 2 4 3 1 3 11 7 3 14 17 14 6 3 4 3 1 4 6 3 1 3 5 4 5 42 6 2 1 3 4 2 1 3 4 2 2 5 6 5 8 5 5 2 3 4 4 3 5 34 18 6 37 100 15 9 5 6 3 1 3 4 3 1 2 4 3 1 7 6 3 4 3 10 21 4 14 5 2 0 2 4 2 0 2 4 3 1 2 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 4 6 5 1 8 9 90 62 26 4 4 2 3 5 3 2 3 4 3 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 99 99 s 1H | 87 87 dd 1H J 16 40 | 80 80 d 1H J 18 | 78 78 td 1H J 17 73 | 77 77 dd 1H J 14 73 | 76 76 d 1H J 16 | 74 74 ddd 1H J 15 40 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCc1cn2ccccc2n1
ir: 4 2 8 6 11 4 5 7 2 6 4 4 3 2 3 6 4 9 7 4 4 5 9 4 3 1 1 2 2 1 0 2 2 2 1 2 2 0 1 3 2 0 1 12 100 36 31 3 2 3 2 1 2 2 4 9 8 5 4 2 8 18 7 20 6 10 31 49 26 72 6 4 3 4 5 18 27 17 7 4 2 5 3 5 2 5 3 2 1 1 2 2 2 2 3 4 2 4 6 6 11 39 50 5 2 1 2 2 2 2 3 8 8 8 5 2 3 4 7 10 8 8 6 5 3 3 2 4 2 5 5 3 12 11 6 6 12 12 3 2 9 12 5 3 3 4 9 7 9 6 3 3 16 38 4 4 51 7 2 1 1 2 2 1 1 20 6 1 1 2 1 0 1 2 1 0 4 2 1 1 2 2 1 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 3 5 4 3 3 4 3 2 4 5 6 2 8 11 11 9 15 22 47 37 62 97 12 12 6 4 6 5 4 5 5 1 3 25 65 3 2 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 85 dd 1H J 13 81 | 77 77 d 1H J 9 | 75 75 dd 1H J 13 80 | 73 72 ddd 1H J 13 70 82 | 69 68 ddd 1H J 13 71 83 | 29 28 m 4H | 21 21 t 1H J 23
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2ccccc2[nH]1)C(CC1CCCCC1)N1Cc2ccccc2C1=O
ir: 0 3 1 6 2 3 7 1 3 5 8 4 1 1 1 1 2 1 1 1 3 1 3 1 4 10 44 10 10 5 4 1 2 4 2 1 6 7 42 47 10 5 16 10 2 5 3 7 7 17 38 18 20 63 7 17 2 4 5 5 1 2 1 1 1 1 0 2 2 14 1 1 1 1 4 5 1 1 1 1 1 1 2 10 4 1 4 7 7 2 1 0 2 3 3 0 3 2 3 4 5 10 3 2 1 7 25 4 3 8 28 11 2 4 11 7 2 2 2 2 2 3 0 2 1 3 2 2 10 13 12 10 3 2 3 1 33 12 35 2 2 1 1 4 14 1 3 6 20 4 0 5 25 7 12 100 92 33 16 1 2 2 4 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 1 0 1 1 3 7 4 3 1 7 4 4 3 16 7 7 18 82 29 3 2 1 1 1 2 1 1 1 3 2 1 0 1 1 1 1 5 2 4 8 8 17 88 47 67 7 3 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 80 79 dd 1H J 16 82 | 77 76 ddd 1H J 18 72 83 | 76 75 ddd 1H J 15 71 81 | 75 74 ddt 1H J 9 18 81 | 73 72 m 1H | 72 71 m 3H | 49 48 t 1H J 76 | 46 45 dd 1H J 9 137 | 45 44 dd 1H J 9 137 | 20 19 dt 1H J 77 136 | 18 17 m 2H | 15 14 m 7H | 14 13 m 2H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)C(=CO)C[C@]5(C)[C@H]4C(=O)C[C@]23C)OCCO1
ir: 1 4 7 2 1 1 3 3 6 5 3 3 11 6 3 2 1 4 2 17 13 3 2 15 3 8 6 6 7 6 8 6 3 3 6 8 10 13 53 52 31 18 4 5 5 8 3 3 7 7 5 4 25 6 3 18 17 6 7 22 19 6 5 7 3 11 10 11 4 16 13 11 3 4 6 4 2 2 4 2 11 5 1 3 3 24 5 2 4 3 6 7 4 20 13 17 8 6 8 6 30 17 93 100 18 9 5 4 10 8 8 15 6 5 15 11 9 5 4 7 17 7 3 11 10 6 10 26 34 18 9 12 8 17 10 10 7 4 7 21 3 3 3 4 11 38 16 19 5 1 2 3 2 0 1 2 2 0 1 3 9 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 0 0 1 1 0 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 3 4 4 4 10 11 5 6 5 3 8 12 8 23 34 37 18 23 4 12 6 67 42 3 4 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dt 1H J 9 38 | 40 39 m 2H | 39 38 m 2H | 27 25 m 2H | 25 24 d 1H J 165 | 24 23 m 3H | 21 21 m 2H | 19 14 m 9H | 14 12 m 6H | 10 9 d 6H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCN(CCN)Cc1ccc(N)cc1
ir: 5 6 18 18 19 11 8 6 3 2 5 2 3 2 2 1 1 1 2 1 1 2 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 5 5 7 4 3 1 5 3 3 7 7 8 5 5 10 67 6 4 3 4 4 6 7 3 10 2 2 5 1 5 7 22 18 38 21 23 2 25 20 10 2 3 2 3 3 5 5 5 1 1 2 8 3 2 0 5 1 2 3 2 1 1 3 3 6 2 1 1 1 1 1 1 2 1 2 1 0 3 4 6 11 4 4 4 5 4 4 3 16 23 16 12 15 11 5 3 4 2 1 1 1 1 1 1 1 1 1 2 1 2 5 5 10 16 21 6 1 0 1 2 2 17 2 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 22 5 1 2 2 3 3 2 1 2 4 6 7 7 10 23 18 9 23 24 21 12 38 100 5 3 2 2 2 1 13 16 8 2 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dt 2H J 9 81 | 66 66 m 2H | 45 44 s 2H | 36 36 t 2H J 9 | 29 28 tt 4H J 49 70 | 26 26 t 4H J 49 | 15 14 t 4H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.