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COc1cc(NC(C(=O)c2c[nH]c3cc(F)ccc23)c2ccccc2)ccn1
ir: 3 3 3 4 6 7 2 8 10 9 31 35 12 9 3 9 4 6 6 3 8 5 11 25 21 16 19 15 11 9 12 9 24 14 12 5 5 4 4 5 20 5 6 2 6 14 4 1 2 3 1 2 2 3 18 44 3 3 3 2 2 3 6 6 6 7 24 18 10 8 4 1 6 14 3 4 5 4 5 2 2 1 1 1 1 4 3 3 6 2 2 1 3 2 6 32 3 4 3 1 1 2 1 2 3 18 12 6 3 11 7 3 6 13 3 4 5 3 8 8 3 3 5 3 11 3 4 2 4 1 1 4 4 1 2 33 13 18 48 6 49 38 15 10 2 6 10 3 4 16 25 8 7 22 19 6 3 4 3 4 3 6 20 4 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 3 3 7 10 11 100 58 12 16 13 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 3 14 45 31 62 28 5 4 1 2 2 2 2 3 1 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 m 2H | 81 81 d 1H J 41 | 75 74 m 2H | 74 73 m 4H | 73 72 dd 1H J 21 121 | 72 71 ddd 1H J 22 84 103 | 66 65 d 1H J 82 | 64 64 dd 1H J 22 40 | 63 63 d 1H J 21 | 61 60 m 1H | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCCC1N1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1
ir: 4 4 1 6 3 4 3 5 3 5 18 9 17 14 9 4 4 5 5 2 6 3 1 1 1 2 1 2 5 8 52 73 88 24 8 7 4 5 9 13 40 61 28 5 7 6 5 3 4 4 6 0 2 4 5 7 4 13 3 0 3 10 5 3 2 3 4 7 12 6 4 2 8 7 7 3 5 15 15 5 12 8 14 7 44 7 7 31 28 10 2 3 3 6 6 3 10 26 9 5 4 4 3 2 4 4 1 3 1 8 3 9 6 7 5 13 12 11 8 9 11 11 13 10 12 5 2 3 16 4 1 11 13 8 20 44 14 8 8 2 2 6 15 6 38 35 16 9 94 22 4 13 13 1 3 3 2 0 0 2 2 27 3 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 2 3 4 5 5 5 5 4 4 4 10 7 23 14 38 100 28 20 15 9 4 3 2 2 2 2 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 7H | 69 68 tt 1H J 14 79 | 68 67 m 2H | 45 45 d 0H J 16 | 45 45 s 2H | 44 44 s 2H | 37 37 t 1H J 58 | 30 29 ddd 2H J 43 70 126 | 28 27 ddd 2H J 43 70 126 | 26 25 m 1H | 25 23 m 1H | 23 22 ddd 2H J 44 71 121 | 20 20 ddd 2H J 43 70 121 | 18 17 m 4H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)nc2ccccc2c1NCCc1cc(-c2ccc(F)cc2)no1
ir: 3 2 2 3 4 4 3 4 7 6 24 13 23 9 10 8 18 17 9 7 5 2 2 2 1 0 2 3 3 4 1 5 2 5 2 2 1 1 1 1 1 1 1 3 12 2 2 4 3 2 1 1 2 3 5 1 3 2 2 1 1 1 2 3 1 2 2 1 1 4 4 7 1 2 1 1 2 1 1 0 1 1 1 1 0 4 11 11 2 1 1 0 1 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 0 1 0 1 6 4 5 6 0 1 1 3 1 5 3 8 3 1 2 1 0 1 1 2 2 1 2 3 3 3 9 3 2 1 3 6 6 1 5 17 6 11 6 3 3 6 100 33 15 5 6 7 1 2 1 3 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 4 10 17 9 9 8 4 2 2 1 1 1 1 1 1 0 0 0 1 1 2 2 15 6 2 2 2 4 13 31 14 7 3 8 24 19 3 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 13 89 | 78 78 dd 1H J 16 73 | 77 76 m 3H | 74 74 ddd 1H J 13 69 85 | 72 71 m 2H | 70 69 t 1H J 65 | 63 63 t 1H J 9 | 50 50 s 2H | 37 36 dt 2H J 57 66 | 31 30 td 2H J 8 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCCc1cccc(OCCOCc2ccccc2)c1
ir: 1 1 3 3 2 1 1 1 3 4 2 2 1 1 3 1 2 3 1 1 1 1 2 1 1 2 1 1 1 5 5 3 3 6 2 1 2 6 27 47 40 7 12 8 4 4 10 20 4 2 1 1 1 1 2 4 1 1 4 1 2 1 5 4 2 3 6 2 4 6 6 2 2 2 1 2 1 3 4 2 4 2 3 2 1 1 1 1 4 2 2 2 1 1 1 2 2 2 2 3 2 1 1 1 1 1 1 1 2 2 1 2 3 4 3 3 4 6 4 5 13 5 3 1 4 2 6 6 2 2 1 2 26 5 9 11 9 3 21 3 10 2 7 11 6 1 2 2 1 0 0 2 7 6 100 2 5 4 2 3 2 6 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 2 1 2 2 4 4 4 9 73 29 5 3 1 2 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 74 73 m 2H | 73 73 m 3H | 72 72 t 1H J 80 | 69 69 ddd 1H J 13 22 82 | 69 68 ddq 1H J 9 20 77 | 67 66 tt 1H J 9 22 | 45 45 d 2H J 7 | 42 42 t 2H J 49 | 38 38 t 2H J 49 | 37 36 t 2H J 60 | 27 26 tt 2H J 10 77 | 21 20 tt 2H J 59 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1(CC(=O)OC)CCCCC1
ir: 17 26 32 6 11 11 17 7 13 7 10 3 2 6 6 5 2 3 3 2 2 2 3 7 14 5 13 19 13 9 3 3 1 2 2 1 1 3 2 1 2 3 4 2 2 4 4 1 2 5 3 3 5 6 6 4 8 7 2 2 2 1 4 11 25 17 6 3 2 5 3 1 3 3 1 3 7 3 1 1 2 3 2 1 4 8 8 7 5 3 2 4 5 3 2 1 4 4 6 5 13 10 13 21 29 20 29 11 6 7 19 12 7 8 6 9 3 11 7 26 31 22 17 8 9 15 6 7 8 15 14 6 14 31 20 27 11 15 10 6 7 12 14 24 86 100 13 11 6 2 1 4 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 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 1 1 2 2 1 1 2 2 1 2 3 2 1 2 5 5 3 4 5 10 23 14 11 6 4 7 11 11 30 48 45 25 13 6 5 3 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 37 36 s 5H | 25 25 s 3H | 15 13 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2cccs2)n(CCc2ccccc2)c(=O)c1-c1ccc2c(c1)OCCO2
ir: 6 3 2 3 2 9 4 2 5 3 3 3 3 2 2 2 2 6 7 8 2 4 4 5 5 4 3 2 5 14 21 21 5 5 4 7 3 7 4 23 71 3 5 4 2 6 13 21 9 8 9 3 4 9 27 22 10 4 3 3 2 3 2 2 3 6 9 7 9 15 10 3 5 10 4 3 5 2 7 3 7 3 2 2 2 2 2 2 2 22 5 3 3 6 3 2 6 5 4 2 3 4 7 6 5 5 5 6 7 6 4 9 5 8 7 4 4 3 1 2 3 3 2 7 4 15 8 37 3 4 8 4 4 7 9 38 4 6 8 3 5 10 6 20 15 3 3 7 40 0 2 100 5 5 5 1 3 43 1 4 2 2 2 14 2 1 1 2 1 1 1 2 1 1 1 2 1 2 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 1 1 1 2 1 1 2 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 2 2 2 3 4 2 3 3 2 3 3 7 11 17 53 10 41 26 25 10 3 2 3 5 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 77 dd 1H J 16 53 | 75 75 dd 1H J 18 60 | 74 73 dd 1H J 20 90 | 73 72 m 7H | 71 71 d 1H J 89 | 43 42 m 4H | 42 41 t 2H J 56 | 30 29 tt 2H J 9 55 | 26 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
ir: 0 1 2 2 0 2 8 2 1 6 9 5 9 6 7 8 2 3 2 1 1 1 5 2 1 2 2 5 5 5 7 10 22 12 12 5 2 6 4 5 4 6 4 2 2 3 3 2 2 3 2 5 2 2 37 30 3 2 1 1 3 3 3 4 2 5 2 18 1 17 2 0 7 7 3 6 3 3 1 1 11 19 7 15 48 26 14 3 18 3 2 2 2 2 1 2 7 5 3 1 2 3 1 1 2 1 3 2 3 5 6 10 8 21 6 18 10 4 1 3 3 2 4 10 9 2 2 2 3 2 2 5 11 2 1 1 1 1 1 1 1 2 1 2 4 4 100 8 5 0 1 2 4 1 1 1 1 0 1 1 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 2 2 2 2 2 3 1 1 1 2 2 5 9 7 6 32 4 2 2 2 3 1 1 1 1 1 1 2 2 12 31 56 16 7 2 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 78 77 m 2H | 72 71 m 2H | 70 70 s 1H | 42 41 m 3H | 35 34 m 1H | 34 33 m 1H | 21 20 m 1H | 18 16 m 5H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
ir: 1 5 2 2 2 4 4 3 2 1 3 4 2 2 1 3 3 8 3 2 2 4 4 2 5 2 1 2 5 3 2 1 1 0 3 4 6 4 3 1 1 3 4 2 2 1 2 4 2 2 2 6 6 2 1 1 1 3 1 1 3 2 4 2 1 3 6 13 25 18 8 5 3 8 2 1 1 3 2 1 1 1 2 1 1 1 0 1 1 1 0 3 2 1 1 3 2 1 5 6 1 1 1 8 3 1 1 0 1 1 1 2 3 2 1 1 1 2 2 2 2 1 2 11 1 1 3 5 3 9 3 1 1 1 0 2 1 1 0 1 1 8 1 1 1 3 5 1 1 0 2 5 32 44 6 3 19 4 5 100 7 6 16 48 2 1 1 6 1 0 1 1 1 1 0 0 0 1 0 0 1 2 17 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 3 4 3 9 59 35 4 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 3 13 10 16 41 7 1 8 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 s 1H | 77 77 s 1H | 75 74 m 3H | 68 67 s 1H | 43 43 t 2H J 49 | 39 38 d 6H J 99 | 38 37 t 2H J 49 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCc1cccc2c(C(C)(CCOS(C)(=O)=O)c3ccc(Cl)cc3)c[nH]c12
ir: 12 4 8 10 5 2 4 15 0 2 9 2 1 2 3 4 12 2 4 2 2 1 8 5 1 1 2 4 60 6 8 8 3 4 17 4 3 8 3 4 35 6 4 3 6 6 3 3 16 31 6 4 2 2 15 29 19 12 7 7 3 2 3 5 2 4 3 13 7 10 20 12 24 78 13 8 3 2 2 4 2 2 3 2 3 3 12 17 77 19 5 2 12 3 3 2 3 7 19 51 52 22 29 9 4 3 2 2 2 2 5 4 3 3 2 4 6 8 8 11 3 12 10 13 11 16 9 9 2 2 1 4 3 6 2 2 4 1 1 3 12 13 15 11 5 2 4 8 37 5 2 5 10 31 15 4 2 1 6 2 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 10 26 4 2 2 2 1 4 4 2 1 2 8 16 12 31 31 42 100 18 10 15 21 5 3 3 3 1 1 3 3 1 1 1 2 1 2 2 2 1 2 7 6 9 16 30 5 2 2 2 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 13 70 | 73 73 m 2H | 73 72 m 3H | 72 71 dq 1H J 9 72 | 71 71 d 1H J 70 | 71 70 d 1H J 70 | 43 42 dt 1H J 72 121 | 42 41 dt 1H J 72 121 | 40 40 d 2H J 7 | 30 30 s 3H | 26 25 dt 1H J 72 137 | 24 23 dt 1H J 71 137 | 21 21 s 3H | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(CCC(C#N)c1c(Cl)cccc1Cl)C(C)C
ir: 4 2 3 2 1 2 2 1 3 3 2 4 5 4 5 5 4 2 3 1 1 2 2 2 2 4 4 2 4 12 6 2 5 4 3 1 1 2 4 1 2 3 2 1 2 2 6 15 2 3 2 1 1 2 1 1 2 3 1 0 1 2 1 2 2 2 3 2 2 2 2 2 3 4 4 8 9 9 5 4 6 3 2 2 13 12 14 14 4 8 17 5 5 7 17 4 8 16 3 4 5 3 4 4 4 4 2 3 2 4 3 2 2 2 1 2 4 3 3 3 3 2 5 2 3 2 2 2 3 6 5 6 7 6 6 20 9 6 4 8 7 1 2 2 2 1 1 1 2 1 1 2 2 2 2 17 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 6 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 2 2 2 4 4 2 2 4 3 4 8 14 11 5 100 5 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 75 75 m 2H | 75 74 m 1H | 45 45 t 1H J 66 | 33 32 hept 2H J 62 | 28 27 dt 1H J 59 116 | 27 26 dt 1H J 60 115 | 24 23 ddt 1H J 59 68 119 | 21 21 ddt 1H J 59 67 119 | 11 11 dd 12H J 17 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(F)(F)F)nn1-c1nc(Cl)ncc1Br
ir: 3 2 2 2 1 1 1 1 1 1 1 1 1 6 1 1 1 2 1 3 3 2 1 2 3 4 1 7 1 1 1 1 1 7 4 1 1 1 1 4 1 14 100 9 1 2 2 1 3 7 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 2 4 14 4 1 1 6 0 3 1 1 1 1 1 1 1 1 6 1 1 1 1 2 1 1 1 23 5 1 1 1 5 2 1 1 1 1 2 7 1 1 1 5 25 5 1 1 1 1 2 4 3 1 1 2 1 1 1 1 1 1 2 1 18 2 1 1 1 3 3 1 31 2 18 2 2 1 1 1 1 1 1 1 16 7 19 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 10 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 66 66 m 1H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCO[C@@H](Cc1ccc(OC(C)(C)C(=O)NCCc2cccc(C(F)(F)F)c2)cc1)C(=O)O
ir: 7 2 3 2 2 3 11 6 7 6 7 4 9 5 5 5 6 10 3 6 19 28 39 100 16 9 11 2 5 10 3 2 5 8 3 2 20 6 4 10 9 5 1 4 3 4 8 18 8 5 2 1 2 3 8 27 14 8 5 3 3 3 4 3 4 4 3 1 10 5 2 3 6 8 5 4 4 2 52 36 11 3 3 3 7 3 8 6 1 8 20 4 2 4 3 6 12 7 23 35 18 2 1 1 2 2 1 4 5 8 12 7 7 20 9 8 4 3 6 2 9 5 5 6 4 7 15 8 6 7 12 5 3 2 1 1 1 2 3 2 6 4 8 53 7 50 63 14 76 2 5 4 9 2 3 3 2 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 2 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 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 2 1 2 1 2 4 3 2 2 2 3 4 5 12 18 17 10 57 44 11 2 2 2 2 2 6 27 40 37 3 3 2 2 1 1 2 1 1 2 5 21 17 21 28 3 2 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 94 94 s 1H | 75 74 dd 1H J 71 111 | 74 74 ddt 2H J 17 32 63 | 72 72 dtd 1H J 9 20 71 | 71 71 dt 2H J 9 84 | 69 68 m 3H | 41 41 t 1H J 64 | 38 37 dq 1H J 64 114 | 36 36 dq 1H J 64 115 | 35 34 q 2H J 44 | 31 30 ddt 1H J 9 64 141 | 29 28 m 3H | 15 15 s 5H | 12 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC1CC(c2ccccc2)C(=O)O1
ir: 3 4 6 3 3 3 3 6 2 1 6 3 1 3 4 4 2 4 2 2 1 2 4 2 2 3 2 1 5 7 10 13 4 4 4 1 3 3 6 9 23 26 14 5 2 2 1 2 2 1 2 2 2 3 2 2 1 2 1 1 1 3 2 2 2 2 5 2 18 27 9 5 9 7 8 9 8 9 6 2 2 2 1 2 2 2 1 4 6 6 2 2 2 4 4 6 3 3 5 4 1 2 0 1 2 2 2 3 12 7 1 5 8 10 20 11 7 12 11 10 6 3 4 6 5 4 1 2 7 5 1 4 4 3 4 3 6 2 4 3 2 4 14 27 100 75 15 5 2 2 2 7 7 3 2 1 1 1 1 3 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 2 4 4 5 2 5 13 18 17 29 26 37 23 12 2 2 2 2 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 74 73 m 5H | 57 57 t 1H J 35 | 38 37 m 2H | 36 35 dq 1H J 63 113 | 27 27 ddd 1H J 35 69 145 | 25 24 ddd 1H J 35 69 145 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1ncc2cc(Cc3nccs3)c(=O)n(C3CCCC3)c2n1
ir: 6 5 1 2 3 2 4 5 5 3 1 4 6 9 1 2 2 2 3 13 4 1 1 5 5 3 4 2 2 3 1 2 2 4 11 42 5 1 2 3 2 1 5 7 7 11 6 9 10 1 2 2 1 2 5 8 15 4 7 4 4 6 2 2 4 3 4 8 22 68 4 34 23 1 5 19 1 0 3 4 2 1 4 16 1 2 9 3 1 1 3 6 4 7 15 13 3 2 7 30 2 18 3 3 9 45 42 49 29 17 7 23 13 13 20 21 12 8 11 8 45 31 6 5 7 6 6 5 13 3 6 9 1 3 4 2 2 2 4 3 3 2 2 1 3 10 3 1 1 2 2 1 1 2 1 1 1 2 2 11 1 2 1 0 1 6 3 0 1 3 1 29 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 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 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 2 8 5 2 3 4 17 17 5 6 20 13 7 19 49 27 28 11 100 35 20 2 2 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 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 2 1 1; 1HNMR: 90 90 s 1H | 82 82 t 1H J 14 | 77 77 d 1H J 46 | 71 71 d 1H J 46 | 45 45 p 1H J 56 | 43 42 d 2H J 13 | 30 30 s 2H | 24 23 m 2H | 21 20 m 2H | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(Nc3ccc4[nH]ncc4c3)c3n[nH]cc3c2n1
ir: 2 2 3 2 2 2 2 2 2 3 1 7 0 3 3 2 2 3 5 2 11 4 6 31 12 10 3 5 5 2 23 1 2 2 2 2 1 4 4 100 4 4 3 2 2 2 2 3 2 2 2 2 13 10 5 3 19 3 2 1 2 2 2 3 2 2 2 1 3 3 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 6 2 2 5 2 2 3 3 8 2 2 2 2 2 2 10 2 3 5 7 3 3 2 2 3 3 2 13 4 2 3 8 3 1 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 3 10 18 4 2 3 2 6 4 2 2 2 20 23 2 3 2 2 2 4 4 15 3 3 3 2 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 4 4 14 7 7 5 3 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 3 3 4 65 28 14 5 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 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 88 88 s 1H | 85 84 d 1H J 82 | 83 83 d 1H J 17 | 82 82 d 1H J 38 | 78 77 t 1H J 20 | 76 75 d 1H J 74 | 75 74 dd 1H J 22 75 | 70 69 d 1H J 81 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(N2CCC(CCCN(C)c3ncc4c(n3)CCN(S(C)(=O)=O)C4)CC2)nc1
ir: 9 8 7 4 6 4 2 10 5 4 2 3 2 3 8 2 2 2 2 1 2 2 2 3 3 3 2 5 6 2 3 3 5 6 5 23 33 52 6 5 4 5 3 2 8 3 4 5 2 2 4 2 2 2 3 4 4 6 2 3 3 2 2 1 3 3 3 3 4 26 5 4 2 4 3 2 3 4 8 10 30 0 5 6 17 4 10 5 11 49 5 3 1 4 2 3 2 7 4 6 4 17 18 20 6 6 8 3 5 4 4 2 3 2 8 6 3 5 2 4 7 11 6 5 2 6 11 11 11 7 8 4 7 6 5 13 6 4 3 6 15 4 4 2 8 24 26 100 6 8 4 0 6 3 2 1 3 8 9 16 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 3 4 4 2 2 2 3 3 13 15 6 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 2H J 9 | 83 82 d 1H J 9 | 43 43 d 2H J 7 | 38 37 ddd 2H J 65 92 157 | 37 36 ddd 2H J 66 92 154 | 35 35 t 2H J 80 | 34 34 m 2H | 33 32 s 2H | 31 30 qt 2H J 9 80 | 29 28 m 2H | 29 28 s 3H | 22 21 dddd 2H J 55 65 92 122 | 19 18 dddd 2H J 55 66 92 122 | 18 17 p 2H J 82 | 16 15 dtd 1H J 13 55 121 | 15 14 t 3H J 81 | 14 14 td 2H J 67 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(CC(=O)O)csc2cc1OCc1cc(-c2ccc(Cl)cc2)on1
ir: 1 2 3 4 4 8 3 5 7 6 21 11 10 17 23 11 15 16 16 13 56 62 75 25 11 5 2 2 1 4 4 1 2 0 2 2 3 1 1 2 1 1 1 3 6 1 2 3 2 1 2 2 6 2 26 12 17 22 2 1 2 2 4 5 3 5 5 14 19 21 14 29 23 12 7 6 11 7 38 20 22 24 5 11 5 7 5 3 4 18 3 7 18 2 1 1 2 2 3 4 2 5 3 4 23 7 1 1 2 1 0 1 1 1 1 2 6 4 3 7 4 3 2 3 4 3 3 2 3 2 1 4 10 3 2 1 2 7 16 6 4 2 4 10 5 9 11 3 4 9 13 3 1 5 4 6 3 2 1 1 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 2 2 2 1 1 1 0 4 6 9 16 13 100 41 32 24 6 3 3 5 7 46 82 19 5 3 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; 1HNMR: 77 76 m 2H | 75 75 d 2H J 8 | 74 73 m 2H | 71 71 s 1H | 70 69 t 1H J 9 | 52 51 d 2H J 10 | 38 37 d 2H J 9 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CCl)CN1CCOCC1
ir: 7 6 3 3 5 3 0 2 3 2 2 4 4 2 4 4 4 1 0 3 3 1 1 3 4 2 22 15 3 2 1 2 2 1 2 4 2 5 1 3 2 1 3 7 4 2 8 4 6 17 7 5 9 27 65 6 3 2 3 8 2 10 10 7 10 6 5 2 2 2 9 14 10 100 6 5 2 1 3 5 10 42 38 19 19 16 11 6 1 2 4 12 4 3 6 9 18 25 15 12 16 9 7 4 5 4 9 5 2 3 6 6 6 4 4 4 2 3 6 6 5 7 4 4 0 4 4 4 5 10 12 7 1 2 5 3 4 5 3 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 1 2 3 3 1 3 7 4 2 4 4 3 2 7 14 24 25 5 4 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0; 1HNMR: 37 36 m 5H | 35 35 s 2H | 26 26 m 5H | 26 26 s 2H | 10 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1cc(C)c(C2C(=O)C3C4CCC(O4)C3C2=O)c(C)c1
ir: 1 1 1 1 2 1 4 3 3 19 2 2 7 3 1 1 3 3 3 15 3 2 3 4 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 2 6 2 2 1 1 1 1 1 5 10 2 1 1 2 1 1 3 5 13 5 4 6 21 4 2 8 4 1 2 6 5 4 6 4 3 6 1 0 2 6 25 3 0 1 1 1 3 2 11 2 1 1 1 1 1 2 3 12 4 4 6 13 6 8 5 10 6 6 2 8 7 6 9 3 7 7 1 4 3 2 2 3 8 3 3 8 9 5 3 4 4 2 2 1 1 1 1 2 2 1 1 4 6 17 100 20 1 3 5 2 2 3 2 1 1 3 9 0 1 2 8 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 2 2 1 2 2 1 3 4 5 6 8 25 9 6 14 8 6 28 9 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 s 2H | 46 45 m 1H | 46 45 s 2H | 34 34 dd 2H J 13 22 | 23 23 s 6H | 21 20 m 2H | 20 20 s 3H | 18 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCc2ccccc2)CC1
ir: 9 7 10 2 1 1 1 1 3 2 6 24 1 5 2 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 9 3 4 2 2 1 3 3 9 36 40 26 89 30 9 9 4 3 1 1 0 1 1 0 1 1 6 5 3 2 2 0 3 6 7 3 6 2 2 26 9 19 1 3 18 7 4 3 1 0 3 35 88 28 24 9 4 2 5 4 6 1 1 1 2 1 3 6 25 9 14 4 19 5 3 1 2 1 1 1 2 2 4 4 3 2 0 2 3 1 2 2 2 1 0 1 2 1 5 4 2 2 4 2 14 16 3 9 15 2 2 8 22 41 24 9 7 13 9 25 4 14 5 3 2 6 1 1 1 2 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 2 3 2 2 3 2 2 3 3 4 5 15 8 19 100 26 52 7 3 2 2 3 2 1 5 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 73 72 m 1H | 72 72 ddt 2H J 9 16 78 | 70 69 ddd 1H J 15 72 84 | 69 69 m 2H | 69 68 dd 1H J 16 72 | 39 38 s 2H | 30 30 m 4H | 28 28 m 4H | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(F)(F)F)c(CS(=O)c2ncc(Br)s2)c1OC(F)F
ir: 1 5 6 8 7 2 1 19 8 1 1 8 1 1 0 0 6 1 5 1 0 0 0 1 4 1 3 11 25 8 8 3 2 2 8 2 1 1 2 13 5 5 4 7 8 46 5 2 2 1 2 13 12 6 10 15 2 3 2 1 3 12 3 0 2 10 23 31 4 13 27 24 6 6 20 31 33 20 27 3 1 1 2 2 6 3 8 5 2 4 7 5 0 2 3 1 0 5 4 18 100 17 1 1 4 24 30 21 5 3 3 2 2 1 1 4 9 4 2 3 4 4 3 18 10 10 5 3 4 2 0 1 1 1 0 1 1 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 3 7 15 6 4 5 9 6 6 5 12 8 10 6 14 35 7 3 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 67 66 s 1H | 49 49 s 2H | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(C(C)(C)C)cc1C=O
ir: 3 7 2 10 4 5 1 2 2 1 2 3 10 22 12 7 3 2 1 4 10 2 1 2 2 1 1 2 2 1 0 2 1 0 1 2 3 4 1 1 1 1 3 4 3 0 1 2 3 4 1 3 1 0 1 2 1 1 4 9 2 1 3 4 3 2 19 3 2 1 1 2 12 7 8 10 16 2 2 2 1 1 1 2 2 1 1 2 1 1 2 1 1 1 2 3 5 3 5 15 3 1 1 1 1 1 1 3 7 9 15 9 10 16 14 12 22 22 11 12 2 12 6 3 9 8 3 8 7 5 5 13 12 6 3 1 1 3 3 0 0 2 2 15 19 2 3 1 17 32 2 1 1 2 5 4 1 2 1 1 5 4 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 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 2 3 5 4 1 2 3 2 1 1 2 2 1 8 13 28 6 4 4 1 1 21 100 2 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 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 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; 1HNMR: 81 81 s 1H | 44 44 q 3H J 64 | 17 17 s 9H | 14 13 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1ccccc1C
ir: 1 2 2 2 2 3 7 4 1 2 2 2 1 2 2 2 2 1 2 2 3 2 1 2 3 2 1 1 1 1 2 4 2 3 12 5 3 2 2 2 6 1 4 4 14 15 11 17 5 1 1 1 1 2 7 4 1 0 1 2 1 1 1 1 1 2 1 2 1 2 3 3 2 8 6 1 1 1 1 1 1 1 1 1 1 2 1 2 1 12 8 3 1 2 1 1 1 1 1 1 1 10 3 2 2 3 2 2 2 4 2 2 9 3 2 1 1 1 3 3 1 2 4 17 5 3 2 8 3 2 2 2 1 1 4 1 1 4 3 3 3 14 5 100 8 1 2 12 10 3 1 3 4 5 11 6 4 4 1 5 2 9 39 5 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 4 10 10 10 8 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 5 6 26 14 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 1; 1HNMR: 81 80 d 1H J 101 | 74 73 m 2H | 73 72 m 2H | 71 70 m 3H | 68 67 d 1H J 101 | 65 64 tq 1H J 19 51 | 43 42 qd 2H J 49 130 | 24 24 s 3H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(N2CCN(CCCOc3ccc(C4=NCCO4)cc3)CC2)nn1
ir: 6 3 3 2 2 1 1 2 2 1 2 4 1 12 7 5 5 3 1 2 5 2 4 4 2 1 2 5 2 3 1 2 2 4 3 2 1 1 1 1 1 2 2 1 1 1 2 3 1 1 2 2 10 11 7 0 8 2 2 8 2 0 6 1 1 6 7 3 2 2 6 3 2 2 1 0 1 2 1 6 26 10 19 14 4 1 4 3 5 3 2 2 5 3 1 2 2 2 2 4 5 11 17 6 4 2 2 2 3 4 8 6 1 7 12 8 7 6 3 2 3 4 7 5 3 4 11 63 7 3 5 5 10 9 7 4 2 2 1 7 32 7 5 8 10 2 3 1 2 32 1 8 15 8 2 2 2 8 7 8 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 4 4 2 48 9 21 100 12 11 5 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 72 72 d 1H J 75 | 69 69 m 3H | 44 44 m 2H | 41 41 dd 2H J 41 49 | 40 40 t 2H J 65 | 36 36 m 4H | 28 28 m 4H | 28 27 t 2H J 65 | 26 26 s 2H | 19 19 p 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(-c2ccc(C=O)cc2)c(OCCOC)c1
ir: 12 4 4 5 5 6 6 7 5 11 5 5 6 1 2 2 4 5 21 7 8 12 7 1 3 3 1 3 3 1 2 2 1 4 4 8 6 3 2 4 2 3 3 3 3 4 6 9 4 7 5 4 9 100 16 17 7 6 2 5 6 8 5 11 5 6 10 12 7 18 21 7 4 7 12 4 2 2 5 4 2 2 2 2 1 3 6 4 7 3 2 9 34 10 9 5 4 4 6 7 5 8 7 7 19 8 3 3 2 2 3 5 12 15 17 3 3 4 7 5 5 13 12 19 17 9 4 3 4 3 5 3 4 5 8 4 5 4 5 7 16 11 9 32 43 19 6 41 2 4 6 12 4 8 8 18 2 2 1 1 1 6 2 0 10 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 2 5 4 8 2 5 4 3 2 2 3 5 16 24 14 17 77 33 5 9 3 3 2 2 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; 1HNMR: 100 99 s 1H | 78 78 m 2H | 77 76 m 2H | 74 74 d 1H J 83 | 70 69 ddt 1H J 8 17 83 | 68 68 dt 1H J 9 18 | 42 42 t 2H J 49 | 42 41 q 2H J 66 | 37 36 t 2H J 49 | 34 34 s 2H | 29 28 m 2H | 27 26 t 2H J 83 | 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.
CCCCOc1c(OC)c(OC)cc(C)c1C(=O)c1c(Cl)cccc1Cl
ir: 9 4 0 6 9 7 1 9 7 4 4 9 7 3 1 5 9 3 5 5 6 5 3 13 34 2 3 6 5 2 2 6 13 3 6 7 6 5 10 7 5 5 5 28 8 2 35 24 7 2 4 7 7 2 6 13 4 6 6 8 5 13 5 18 8 8 9 8 9 5 12 30 21 9 16 8 8 7 6 6 3 4 14 6 2 2 6 5 2 4 22 5 2 4 18 7 2 11 6 5 2 3 6 5 7 9 8 9 16 25 10 5 2 6 12 5 3 11 13 12 3 6 11 5 1 6 9 7 3 6 8 3 3 8 9 5 8 9 23 11 10 46 9 3 2 9 8 3 4 20 8 1 5 9 5 63 8 5 4 4 25 32 11 1 4 7 4 1 4 6 4 1 4 6 4 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 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 5 5 4 7 6 5 3 7 7 6 2 4 11 5 4 6 12 23 8 31 100 19 4 14 13 4 3 5 5 3 2 4 5 3 2 4 5 4 3 4 5 3 2 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 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 3 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 4 2; 1HNMR: 75 74 m 3H | 67 67 s 1H | 41 41 t 2H J 64 | 39 38 d 6H J 86 | 25 25 s 2H | 17 16 p 2H J 66 | 15 14 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2ccccc2c2cc(Nc3cc(SC)sc3C(=N)N)ccc21
ir: 4 5 6 9 4 14 9 14 6 8 12 9 8 6 7 6 5 12 8 12 7 11 8 10 12 10 6 4 4 5 6 6 3 3 5 7 6 9 14 7 13 17 39 38 10 8 3 3 3 3 3 2 5 4 15 6 4 2 4 2 2 3 2 3 3 2 2 2 6 10 14 30 16 8 18 4 6 3 6 8 5 3 2 3 3 3 2 2 9 3 2 1 3 4 2 1 2 2 1 1 2 2 1 2 2 2 6 9 3 3 6 2 3 4 4 3 8 20 6 5 18 8 11 4 3 2 3 2 8 6 2 3 2 2 1 2 3 0 9 37 0 4 7 9 11 7 12 3 4 6 9 19 32 22 27 13 8 6 8 14 20 4 2 1 16 4 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 2 2 3 2 2 1 4 3 2 7 7 4 15 24 28 13 9 6 6 3 2 1 2 3 2 2 5 4 5 29 16 20 34 5 5 5 13 27 30 13 6 4 11 81 100 0 5 4 6 4 3 2 1 2 2 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 m 1H | 79 79 dd 1H J 15 65 | 76 76 d 1H J 19 | 75 75 s 1H | 75 74 m 2H | 73 73 m 2H | 72 71 dd 1H J 22 81 | 67 67 s 1H | 57 57 s 2H | 43 42 q 2H J 51 | 26 26 s 3H | 14 13 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(C(=O)O)CC1
ir: 4 3 3 5 3 7 6 4 4 6 6 17 7 9 7 4 4 2 5 5 36 50 75 15 6 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 1 3 11 13 23 31 5 6 2 1 2 1 4 5 4 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 4 2 4 2 1 1 2 5 6 4 5 4 2 2 5 4 5 5 6 5 3 2 2 1 1 2 2 3 3 3 2 1 1 2 2 1 2 2 4 2 4 1 1 1 0 3 5 9 3 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 2 3 2 2 1 2 2 3 4 13 12 3 1 1 1 0 1 1 0 1 3 5 90 100 47 4 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 41 40 q 2H J 66 | 37 36 ddd 2H J 61 88 125 | 35 34 ddd 2H J 62 89 124 | 26 25 p 1H J 59 | 22 21 ddt 2H J 61 88 128 | 19 18 ddt 2H J 60 88 128 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)O[C@H]1CCN(C(=O)C2CCOCC2)C1
ir: 6 4 1 5 14 27 7 3 7 2 5 2 2 2 19 13 2 1 1 2 1 1 2 3 18 3 2 1 2 2 13 9 34 7 3 2 1 1 2 8 3 2 1 2 2 1 3 3 3 1 2 3 15 19 4 3 2 10 9 4 6 1 1 2 2 1 3 4 11 5 16 69 29 24 42 9 32 17 5 6 2 1 1 1 2 3 6 28 67 14 5 2 3 5 2 1 4 4 10 30 27 53 61 12 18 13 7 17 5 7 2 4 19 23 12 10 9 14 14 7 8 36 34 21 9 3 5 7 11 6 2 2 1 1 1 1 1 2 2 10 1 3 2 2 1 5 11 100 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 8 45 11 3 3 3 4 1 7 7 5 4 8 5 11 25 37 13 16 12 8 2 2 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 54 53 m 1H | 39 38 m 1H | 38 37 ddd 2H J 37 64 112 | 37 36 m 2H | 35 34 m 3H | 29 28 s 2H | 27 26 p 1H J 68 | 24 23 dddd 1H J 33 53 71 122 | 21 20 ddt 1H J 53 73 124 | 20 19 dtd 2H J 37 66 134 | 18 17 dtd 2H J 37 65 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
ir: 1 2 2 1 0 1 1 1 1 3 1 2 5 2 1 1 3 6 9 2 1 5 2 1 1 1 1 1 2 2 5 9 7 5 2 1 1 2 13 9 4 1 10 19 22 3 5 9 7 2 13 4 9 14 33 3 6 3 3 3 2 3 2 1 2 3 7 2 2 1 2 3 9 4 7 1 2 2 1 0 1 1 1 4 1 1 1 3 2 2 1 1 3 3 2 1 4 7 2 2 2 1 2 3 15 12 3 2 6 3 4 5 3 7 9 13 43 7 8 2 5 3 2 4 5 8 10 7 2 3 2 6 3 3 1 5 2 1 8 3 4 5 5 10 3 4 6 26 16 20 10 4 2 1 1 1 18 7 1 1 1 0 0 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 3 2 1 1 1 2 2 6 11 8 11 12 30 2 4 5 2 2 1 0 1 2 2 1 1 1 1 1 1 2 13 100 3 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 1H J 84 | 81 81 m 1H | 80 80 d 1H J 85 | 79 79 m 1H | 78 78 td 1H J 12 79 | 76 75 td 1H J 12 78 | 40 39 dtt 1H J 26 53 80 | 37 36 m 4H | 37 35 m 4H | 32 30 m 3H | 30 29 m 3H | 26 25 dtdd 1H J 26 33 59 84 | 25 24 tt 1H J 47 55 | 22 21 dt 1H J 83 136 | 20 18 m 2H | 8 7 dd 6H J 40 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(N2CCN(c3ccc(OC)cc3)CC2)nc1-c1ccccc1
ir: 2 2 3 4 3 2 4 5 7 8 2 1 2 2 5 5 5 7 5 2 2 2 1 3 5 5 1 2 9 12 19 5 5 8 8 8 14 10 14 23 21 7 9 8 12 4 4 11 4 2 4 8 11 18 51 38 18 7 9 17 10 19 6 5 6 5 4 7 13 48 8 6 3 4 6 7 3 4 8 5 5 3 1 14 3 2 2 3 3 2 3 4 3 2 2 2 5 5 10 12 21 5 3 6 5 2 4 3 5 7 6 6 12 10 75 15 17 11 28 10 25 22 16 14 13 8 8 23 19 20 30 52 23 5 11 22 6 3 4 1 3 3 19 48 7 12 13 8 12 26 31 11 13 14 6 2 2 1 1 1 1 1 0 2 1 1 1 1 1 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 0 0 1 1 0 1 1 1 1 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 3 2 2 7 6 5 4 12 21 9 6 11 9 8 11 12 50 59 23 52 100 50 20 12 2 4 3 2 0 2 3 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 74 74 ddt 1H J 14 66 80 | 69 69 m 2H | 69 68 m 2H | 42 42 q 2H J 64 | 39 37 m 4H | 38 38 s 3H | 32 31 t 4H J 53 | 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.
COC(=O)CS(=O)(=O)N(C)C(c1ccccc1)c1ccccc1
ir: 1 8 3 7 20 11 6 5 7 11 5 6 2 2 3 1 4 3 2 1 1 1 2 5 2 2 2 2 2 1 4 9 7 14 13 3 2 4 8 13 19 25 8 6 6 3 2 3 3 10 4 1 3 4 2 1 1 1 1 1 1 1 1 4 12 1 3 5 8 20 29 10 6 10 6 7 4 6 3 4 4 3 5 7 7 4 14 7 0 20 47 16 9 11 12 10 9 5 3 2 3 5 1 1 3 2 1 2 3 2 11 7 4 2 1 2 3 9 7 5 5 3 3 2 5 7 7 5 6 3 3 2 3 5 7 21 9 2 1 2 2 1 16 9 100 7 7 2 2 1 2 2 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 4 1 2 3 2 2 3 6 7 23 32 55 24 17 4 0 1 4 2 0 2 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 9H | 73 72 m 2H | 52 52 dq 1H J 11 21 | 40 40 s 2H | 38 38 s 2H | 29 29 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)noc1C
ir: 7 11 14 6 13 13 17 6 3 3 2 1 1 2 3 2 1 2 9 16 5 3 4 1 5 2 2 1 2 3 7 9 20 38 19 7 7 4 2 1 2 2 2 0 1 2 1 0 1 2 1 0 1 2 2 0 1 3 1 1 2 2 1 1 5 4 4 7 30 50 12 2 4 14 28 18 6 3 1 0 2 2 1 1 4 8 4 2 2 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 5 8 5 5 3 6 6 4 2 3 3 13 27 32 11 10 3 1 1 2 2 3 5 10 8 1 3 4 2 1 2 2 14 14 3 3 1 0 2 2 0 2 2 2 3 65 100 51 12 2 3 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 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 1 2 1 1 2 5 11 7 3 2 1 1 1 3 3 4 3 10 10 11 24 16 6 2 1 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 39 39 s 3H | 26 26 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)N2CCN(C)CC2)ccc1N
ir: 2 2 3 6 20 5 11 3 6 8 7 7 7 8 13 3 4 1 2 2 3 2 2 1 1 1 1 1 1 1 1 0 1 1 2 2 3 4 8 5 2 6 2 3 3 4 2 2 2 1 1 1 2 4 36 4 3 3 2 1 1 1 1 1 2 2 2 3 4 3 2 1 1 2 1 1 3 8 3 8 17 3 1 1 1 2 2 1 2 2 2 1 7 2 3 2 4 7 1 2 3 1 1 1 6 3 1 1 1 1 0 1 1 2 2 1 2 1 1 1 0 2 10 21 7 5 2 3 1 0 1 7 3 1 2 3 3 1 1 1 1 1 1 4 3 1 3 51 4 1 2 3 3 8 12 12 33 5 3 1 1 1 1 5 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 2 3 5 6 3 1 2 1 1 0 0 0 0 0 1 0 0 0 1 1 1 2 6 1 0 0 0 0 1 1 1 1 1 11 100 5 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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; 1HNMR: 76 75 dd 1H J 21 85 | 72 71 dd 2H J 33 53 | 40 39 s 2H | 39 39 s 3H | 38 37 ddd 2H J 35 62 113 | 34 33 ddd 2H J 35 62 113 | 33 32 ddd 2H J 35 62 113 | 28 27 ddd 2H J 35 62 113 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)ccc3ccccc23)c1
ir: 2 5 10 3 12 3 3 2 2 2 2 2 3 2 2 7 9 3 3 3 2 2 1 1 1 3 2 1 2 2 1 1 2 2 1 2 2 1 4 4 5 57 14 4 4 2 6 2 2 4 2 0 16 3 2 3 3 2 1 1 1 1 1 1 1 1 2 2 1 2 2 3 7 1 2 3 4 3 1 1 1 2 2 7 2 2 2 5 10 17 7 3 2 6 1 41 11 5 3 2 2 2 3 9 10 1 2 2 1 1 1 4 4 2 2 2 6 1 2 1 1 2 2 2 2 3 6 1 2 2 2 1 1 1 1 4 20 3 3 6 5 3 3 2 3 4 13 13 2 2 8 4 9 5 2 1 2 2 2 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 4 2 1 3 29 26 5 5 5 1 1 15 100 13 9 1 1 2 1 2 2 2 1 1 1 2 2 6 5 8 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 15 78 | 79 78 m 2H | 77 77 m 1H | 76 75 m 3H | 75 74 m 3H | 47 46 p 1H J 33 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(=O)c1ccccc1)(NC(C)=O)C(=O)OCC
ir: 7 20 13 4 20 6 3 4 6 28 5 14 5 4 9 4 2 8 5 1 5 5 3 2 5 4 10 4 4 4 23 8 20 17 39 78 15 13 42 96 31 15 24 8 6 3 5 7 4 5 3 6 6 5 8 3 4 1 1 3 2 5 4 6 2 3 3 4 9 15 8 5 5 7 6 7 7 13 7 7 13 3 3 1 2 1 1 1 2 2 1 2 10 2 4 10 4 2 4 6 7 5 3 3 3 2 2 2 4 4 6 37 37 11 26 33 9 47 3 8 4 3 7 5 12 14 28 12 22 24 20 29 8 8 5 7 5 1 3 8 8 22 41 91 40 100 53 7 2 7 5 0 2 4 4 0 1 3 2 0 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 4 11 4 3 5 3 5 14 6 3 3 5 4 10 17 38 35 24 64 23 22 16 11 4 4 3 2 2 3 3 2 2 2 3 2 4 2 2 3 3 19 8 33 74 9 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 76 75 m 1H | 75 75 m 3H | 43 41 m 4H | 37 37 s 2H | 20 19 s 2H | 12 12 t 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)Nc1ccc(C(=O)O)cc1
ir: 5 2 1 1 1 1 1 1 1 2 4 7 5 20 2 2 2 4 8 6 9 34 51 15 6 0 1 3 3 5 4 5 5 6 3 8 3 3 2 1 2 2 1 4 6 5 3 1 1 2 1 6 6 2 3 1 18 8 5 2 1 0 1 1 1 1 1 1 1 3 3 2 1 2 23 8 2 4 22 14 10 1 1 1 1 1 1 3 4 2 2 1 1 1 1 1 1 2 2 1 1 1 1 2 4 2 2 1 1 3 2 1 1 2 3 21 4 2 2 3 2 4 4 3 3 2 3 3 0 1 1 1 0 1 1 1 1 1 1 1 2 5 33 25 11 9 13 4 3 2 4 30 49 24 35 2 2 2 1 0 1 1 1 21 2 0 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 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 1 1 1 1 1 1 1 1 3 2 2 6 5 17 42 5 1 3 3 1 2 2 3 55 100 5 2 1 1 1 2 2 3 2 3 2 3 8 54 9 4 2 2 1 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 s 1H | 80 80 m 2H | 77 76 m 2H | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)c1cc(F)c2c(c1)CC(=O)N2)N1CCC(O)(c2ccccc2)CC1
ir: 2 3 3 2 6 3 2 3 15 5 2 2 2 5 5 3 3 3 2 2 9 6 4 21 10 2 1 1 6 2 2 4 1 1 2 4 5 2 3 22 4 36 2 1 4 3 1 0 4 1 1 0 1 3 1 2 2 5 1 3 5 1 1 1 4 2 0 6 3 9 3 2 1 3 1 1 1 3 1 1 9 8 2 7 3 2 1 2 7 15 3 1 2 7 2 4 2 3 2 2 3 2 1 4 2 1 1 2 3 1 13 2 2 1 2 2 5 3 6 2 1 2 1 3 5 29 9 6 3 3 2 1 1 3 6 15 3 1 1 1 1 1 1 2 11 5 1 2 15 0 1 1 1 2 2 9 52 7 48 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 1 1 1 1 2 4 7 5 4 42 13 3 1 1 1 1 5 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 5 100 19 3 1 1 2 1 1 2 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 d 1H J 42 | 77 76 m 2H | 75 74 dq 2H J 16 82 | 74 73 m 2H | 71 70 tt 1H J 15 66 | 42 41 q 1H J 71 | 35 34 d 2H J 7 | 34 34 s 1H | 32 30 m 4H | 24 23 ddd 2H J 42 65 136 | 21 20 ddd 2H J 42 65 136 | 13 13 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)C1COC(=O)[C@@H]1O
ir: 15 3 5 9 5 4 3 28 16 5 1 3 2 2 1 2 1 2 2 2 1 4 2 2 1 1 2 2 3 2 1 1 1 2 6 3 3 1 1 1 0 2 1 1 3 2 7 3 2 2 1 2 1 1 1 1 1 1 4 4 1 1 1 0 1 2 2 3 7 23 28 2 3 2 3 3 3 1 2 2 5 0 3 3 6 9 43 62 100 93 48 19 9 7 6 9 16 26 20 35 4 4 14 23 26 16 4 1 2 1 1 1 2 1 1 6 10 7 4 6 3 14 19 3 4 2 1 2 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 34 14 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 2 1 1 1 1 1 1 1 1 0 1 3 5 2 1 1 3 2 1 2 1 2 8 6 8 23 9 7 2 7 4 2 1 0 1 6 24 55 47 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 48 47 ddd 1H J 18 63 94 | 47 46 dd 1H J 60 117 | 45 45 ddd 1H J 18 62 117 | 45 44 d 1H J 62 | 39 38 dtq 1H J 15 62 92 | 31 31 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)cc1
ir: 29 15 9 7 9 5 9 14 16 9 8 13 12 7 4 5 4 4 4 3 2 3 2 2 3 2 3 4 2 3 5 8 5 6 5 16 11 9 5 3 4 6 4 3 2 3 3 2 4 2 3 21 6 8 18 7 14 12 4 3 3 2 2 2 4 3 6 16 8 24 28 18 11 4 3 4 3 3 3 2 5 2 2 2 3 4 2 32 52 100 21 26 35 18 41 20 5 4 3 3 5 15 15 8 4 4 3 9 3 2 17 4 2 3 3 2 2 3 6 10 4 6 7 12 6 6 11 4 4 6 11 4 3 5 4 6 2 3 9 2 1 2 1 4 2 2 2 4 4 2 2 2 3 3 3 0 34 11 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 7 2 2 2 1 1 2 2 1 2 2 2 3 5 10 64 14 30 85 14 12 4 3 4 4 2 3 8 8 14 12 8 6 4 3 2 4 2 2 2 2 3 5 13 41 23 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dd 2H J 24 82 | 80 80 dd 1H J 25 102 | 78 77 d 1H J 101 | 77 77 m 3H | 74 73 m 2H | 70 70 s 1H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCC2C(=O)NC(c3ccc(Cl)cc3)c3ccccc32)CC1
ir: 7 3 2 4 3 1 2 4 1 4 12 4 3 5 3 1 2 2 4 1 9 8 6 4 10 4 2 7 4 25 8 8 8 16 77 6 6 5 4 8 32 18 67 14 7 3 4 3 4 3 10 11 5 31 20 27 29 4 5 4 2 4 2 1 3 3 2 3 6 9 2 2 3 5 3 9 2 1 7 10 90 18 6 9 15 44 2 2 3 26 7 9 13 4 1 2 6 24 19 11 9 9 2 9 2 4 6 2 1 2 1 6 5 4 2 3 5 5 2 6 2 2 2 1 4 3 2 3 1 4 4 32 11 4 1 2 7 20 8 5 2 4 7 4 2 7 100 5 4 71 4 5 46 37 3 9 3 1 1 4 2 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 2 3 2 2 2 1 8 3 3 2 7 13 16 58 26 6 7 4 1 3 1 2 1 1 1 1 1 1 1 1 1 2 1 4 10 14 13 16 65 19 11 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 74 74 m 1H | 74 73 m 3H | 73 72 m 4H | 60 59 d 1H J 75 | 55 54 dt 1H J 9 71 | 36 36 td 1H J 7 57 | 28 27 dt 1H J 84 122 | 26 25 m 1H | 26 25 s 8H | 24 23 s 2H | 22 21 dtd 1H J 58 85 136 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(CO)cc(C(C)(C)C)cc1NC(=O)NC1Cc2ccccc2C1
ir: 5 10 4 6 2 2 3 3 3 4 2 4 5 7 2 2 2 3 2 2 4 5 8 5 7 4 2 1 4 1 1 0 1 3 2 4 1 9 6 64 10 25 27 6 12 13 3 4 5 3 1 2 2 1 2 1 2 1 1 2 2 6 4 9 4 5 6 9 11 19 5 0 6 7 1 2 1 7 1 2 3 3 3 8 15 15 22 24 39 18 4 8 2 4 9 3 1 4 9 5 1 4 4 4 1 3 3 1 3 4 2 3 2 3 2 4 7 2 3 2 4 2 2 4 8 2 3 4 2 3 2 1 2 3 3 4 3 24 5 10 5 3 4 5 3 6 17 100 3 14 43 5 13 31 8 2 4 2 3 3 4 2 1 1 2 3 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 3 1 1 1 1 3 4 4 3 12 6 5 25 23 6 8 5 2 2 3 12 7 2 2 2 2 1 0 2 1 2 4 2 1 4 9 16 41 9 9 6 2 2 2 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; 1HNMR: 76 76 s 1H | 74 74 d 1H J 22 | 72 71 d 5H J 12 | 71 70 dt 1H J 9 19 | 63 62 d 1H J 77 | 47 46 dd 2H J 9 57 | 43 42 dp 1H J 49 77 | 39 38 s 3H | 37 37 t 1H J 58 | 32 31 dd 2H J 50 149 | 29 28 dd 2H J 50 149 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(C)O)c2nc(N3CCOCC3)cc(=O)n2c1
ir: 3 3 2 3 3 3 4 3 3 3 3 4 7 4 3 3 3 3 3 3 3 3 2 2 2 3 3 3 4 3 8 4 3 5 4 3 2 2 2 2 3 4 9 8 3 2 3 5 3 2 4 3 3 2 3 3 3 2 3 5 4 2 3 3 7 2 10 20 37 13 3 3 12 9 2 6 6 6 3 3 3 3 2 3 3 6 11 5 21 6 3 4 6 8 28 14 3 3 4 4 5 7 3 3 3 5 3 6 3 4 5 4 4 4 3 2 2 3 3 3 3 3 5 4 4 3 5 5 6 4 4 2 3 3 3 3 4 3 3 2 2 2 5 3 2 3 3 11 27 3 2 2 2 2 2 2 2 5 3 2 2 3 4 0 29 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 2 2 2 3 3 3 3 3 3 3 2 3 5 7 4 3 5 7 34 28 8 3 3 23 100 4 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 82 81 p 1H J 14 | 71 70 h 1H J 10 | 51 51 s 1H | 48 47 qdd 1H J 10 52 64 | 47 46 d 1H J 53 | 37 37 m 4H | 35 34 m 4H | 21 20 m 3H | 14 13 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ir: 1 3 4 3 2 3 4 2 0 3 5 3 0 4 15 7 3 9 3 1 1 4 5 11 9 4 4 2 1 3 3 1 1 3 5 3 2 5 5 0 1 6 28 56 8 5 5 3 27 23 7 5 5 6 12 9 3 6 4 1 3 4 2 1 2 3 2 3 8 8 5 2 3 4 3 4 7 4 2 3 4 5 3 5 21 30 39 25 13 16 30 8 5 5 1 2 4 4 2 1 3 2 0 2 4 8 2 2 3 2 1 3 5 2 0 2 3 1 1 2 4 4 2 5 8 11 5 3 3 3 2 2 3 1 1 4 9 31 5 3 3 2 4 100 77 5 2 4 7 3 2 7 16 10 3 9 4 1 1 5 6 2 2 5 2 1 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 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 3 2 1 1 3 2 1 2 3 2 3 2 3 3 2 5 4 4 4 8 9 17 60 44 13 5 2 5 6 7 41 27 4 2 3 3 3 2 2 2 3 2 2 3 4 5 6 6 26 5 4 3 3 2 1 3 2 1 1 3 2 1 1 3 2 1 1 2 2 1 2 3 2 1 1 3 2 0 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 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; 1HNMR: 79 78 dd 1H J 13 82 | 76 76 m 2H | 76 74 m 3H | 73 73 dt 2H J 9 82 | 46 45 dt 2H J 9 57 | 28 27 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc(F)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
ir: 0 3 4 2 1 1 2 2 1 2 2 2 1 2 1 1 1 1 1 2 5 9 2 3 2 5 2 1 1 1 1 2 3 4 3 1 1 1 1 4 8 28 32 7 4 6 12 26 9 2 3 15 11 20 14 25 30 16 6 1 2 3 2 1 1 2 2 0 19 22 5 2 1 1 4 1 2 1 0 0 1 0 1 3 1 1 1 3 4 5 2 2 1 1 2 3 13 9 3 1 1 1 0 1 10 3 1 2 3 2 2 1 1 1 1 1 1 1 1 2 2 5 4 1 3 2 2 6 8 3 4 1 1 1 1 4 6 10 3 2 5 7 6 5 7 6 11 27 48 31 17 7 7 5 4 7 10 4 1 0 1 1 1 1 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 2 1 1 1 1 1 0 4 7 4 7 27 100 44 20 13 6 2 3 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 79 | 80 80 dd 1H J 11 76 | 80 79 ddd 1H J 7 14 73 | 79 78 m 2H | 78 77 m 2H | 76 75 td 1H J 14 78 | 74 73 ddtd 2H J 12 21 35 84 | 71 71 m 4H | 53 52 d 2H J 10 | 43 42 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)n(-c2ccnc(N)n2)c(=O)n3C)no1
ir: 3 6 2 5 5 3 4 3 1 3 7 2 6 6 7 5 1 6 2 2 4 3 1 3 2 4 2 1 3 1 2 3 3 8 12 5 10 12 6 23 15 7 5 5 16 6 8 7 4 1 2 2 2 5 6 6 3 1 2 1 2 5 2 1 1 1 3 2 7 2 6 6 7 13 8 5 4 9 8 5 1 1 4 2 3 2 3 1 3 4 2 3 1 1 2 1 3 1 4 5 6 3 6 5 2 6 2 1 2 2 7 3 2 5 3 1 1 2 1 3 2 2 3 4 2 4 4 1 5 2 2 1 3 3 2 2 2 3 9 28 4 7 12 12 32 26 30 5 9 50 5 5 2 4 8 9 42 100 19 7 2 2 6 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 2 1 1 1 2 1 2 4 6 3 14 25 26 12 9 5 3 1 1 5 3 1 2 1 1 1 2 1 3 8 14 7 2 2 1 1 1 1 1 1 1 1 11 3 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 80 d 1H J 48 | 80 80 d 1H J 21 | 76 76 d 1H J 79 | 73 73 dd 1H J 22 79 | 68 68 d 1H J 48 | 63 63 s 1H | 61 61 s 2H | 43 43 s 1H | 36 35 s 3H | 25 25 s 3H | 19 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)NCCc1cc(=O)oc2cc(O)ccc12
ir: 32 16 17 16 14 12 10 16 14 18 10 9 11 12 11 9 8 8 10 12 9 9 10 29 44 59 25 10 25 21 15 16 9 11 10 9 9 12 10 8 8 7 7 8 8 7 8 7 7 7 7 9 8 9 12 21 11 9 8 9 8 9 9 13 17 19 25 22 15 9 10 15 13 11 11 9 8 7 9 29 36 25 10 10 8 9 12 9 12 20 13 13 9 8 8 8 7 8 8 7 7 7 8 16 12 10 10 8 7 7 10 18 8 10 10 11 9 15 8 15 12 11 12 11 12 9 10 8 10 10 13 8 7 7 9 8 10 13 9 8 8 9 18 28 41 40 16 13 19 58 32 11 9 12 9 6 8 11 9 0 100 6 8 21 8 6 7 8 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 9 8 7 7 8 10 9 11 12 11 18 18 30 30 27 12 11 9 11 12 14 10 8 8 8 7 7 7 7 8 7 8 9 11 8 27 37 27 22 17 11 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 99 98 s 1H | 74 73 d 1H J 90 | 68 68 d 1H J 23 | 67 67 dd 1H J 24 90 | 60 59 m 2H | 56 55 t 1H J 57 | 53 53 ddt 1H J 13 25 170 | 53 52 m 1H | 46 45 dt 2H J 14 59 | 35 34 q 2H J 56 | 30 29 td 2H J 13 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1ccccc1-c1cccc(OCc2ccccc2)c1
ir: 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 4 1 1 1 1 1 1 1 2 2 3 14 10 6 3 2 4 2 2 3 9 23 25 20 11 17 5 22 52 13 4 2 1 2 2 2 1 1 2 1 1 1 1 1 2 2 5 11 4 12 10 8 9 2 4 8 5 4 4 6 2 1 3 2 1 1 2 7 4 12 7 3 1 1 1 2 1 0 3 4 1 1 1 0 2 1 1 1 1 1 5 1 1 1 1 1 3 1 1 1 2 2 2 1 2 1 3 3 2 1 1 1 2 1 2 6 9 13 5 15 9 7 5 15 8 5 2 4 7 7 0 1 15 3 10 4 4 2 2 4 1 1 2 5 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 0 0 1 1 1 0 0 0 0 1 0 1 1 0 0 0 1 0 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 3 2 1 2 2 1 2 8 10 7 38 100 41 19 5 5 2 2 2 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 m 1H | 74 73 m 11H | 72 71 t 1H J 21 | 69 68 ddd 1H J 14 22 77 | 51 50 d 2H J 9 | 48 48 d 1H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C(=O)Nc1cc(C(C)(C)C)n(C)n1)P(=O)(OC)OC
ir: 3 9 12 17 2 7 8 14 17 19 12 8 5 19 5 5 5 7 10 19 6 5 6 3 3 4 5 3 2 5 7 4 5 4 3 3 5 10 8 11 9 7 5 14 18 40 42 57 22 8 13 6 33 8 8 3 12 27 6 6 4 32 17 9 8 4 4 34 18 47 71 29 52 73 25 7 7 8 7 6 22 40 61 1 5 5 1 1 4 4 1 2 6 3 7 7 9 5 1 2 4 3 1 2 4 5 2 7 10 7 15 5 10 4 3 4 6 5 5 5 13 10 6 3 5 3 1 4 8 3 1 5 6 1 1 4 8 6 2 3 3 1 3 9 4 3 2 16 72 100 10 3 5 3 2 4 3 3 5 36 39 6 3 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 4 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 5 2 3 5 3 1 3 7 10 1 4 7 6 7 17 15 6 5 13 26 6 2 3 4 2 1 2 4 3 2 6 4 2 3 5 4 2 3 4 10 20 23 34 25 7 9 4 3 2 1 3 3 1 1 3 3 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 2 3 1 1 2 3 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; 1HNMR: 88 87 s 1H | 55 55 s 1H | 43 42 dq 1H J 15 114 | 38 38 s 3H | 37 37 d 7H J 108 | 34 34 d 3H J 14 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCN(c2nnc(N3CCOCC3)c3ccccc23)CC1
ir: 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 8 14 1 1 1 1 1 1 1 0 1 1 1 1 1 1 6 1 1 1 1 0 1 1 1 2 1 5 2 4 2 6 5 2 1 2 2 3 1 2 1 1 1 1 3 4 1 2 3 1 1 1 1 1 3 3 3 3 4 2 1 1 1 1 1 1 1 1 2 3 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 3 1 4 2 3 2 6 4 2 2 2 3 30 7 14 7 1 1 3 7 4 2 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 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 2 1 1 1 1 1 1 1 1 1 3 1 2 5 3 3 1 1 1 1 1 0 1 1 1 1 2 3 3 2 2 2 1 0 3 100 6 3 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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; 1HNMR: 81 80 m 2H | 77 77 m 2H | 39 38 m 6H | 37 36 m 4H | 37 36 m 2H | 31 30 tp 1H J 38 56 | 21 20 dddd 2H J 38 60 88 134 | 18 17 dddd 2H J 38 60 88 134 | 17 16 d 2H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2c(n(CCNC(=O)c3ccccc3)c3ccccc23)CC1
ir: 1 3 2 2 2 2 2 2 1 1 3 3 1 7 4 0 1 0 1 2 2 3 1 1 1 0 1 1 3 1 1 1 1 1 5 8 100 5 6 0 1 6 20 3 2 1 1 1 1 0 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 1 2 3 2 5 2 2 1 1 1 5 5 6 2 4 3 2 1 3 1 4 1 4 5 3 3 3 1 2 4 7 7 18 4 2 10 16 8 8 1 2 2 16 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 1 3 6 10 7 10 33 6 5 1 1 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 5 6 10 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 76 75 m 1H | 75 75 m 1H | 75 74 m 3H | 74 73 m 1H | 73 72 dd 1H J 15 65 | 72 71 td 1H J 13 70 | 42 42 t 2H J 34 | 37 37 t 2H J 62 | 37 36 t 2H J 65 | 36 35 q 2H J 35 | 30 29 t 2H J 62 | 28 27 t 2H J 65 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(NC(=O)OC(C)(C)C)ccc1Cl
ir: 5 13 12 5 2 4 4 3 5 6 3 4 4 8 6 4 5 5 4 2 2 7 5 6 5 6 11 12 9 30 33 60 16 5 10 7 6 8 6 3 3 4 4 2 2 2 2 2 2 3 4 2 6 22 12 18 4 5 3 2 2 6 5 7 9 3 4 16 12 11 2 2 3 4 2 5 4 2 2 1 2 3 3 2 2 2 2 3 4 4 3 5 6 8 20 13 5 6 6 7 12 8 4 5 19 13 0 3 3 6 3 4 4 5 2 2 4 4 4 12 17 5 4 3 6 2 3 8 7 7 3 7 5 3 2 2 3 1 2 3 5 3 7 66 100 39 15 10 15 16 16 6 5 1 13 6 3 3 2 2 2 2 10 2 3 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 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 3 6 2 3 3 3 4 2 3 2 3 3 6 9 20 7 21 18 28 12 6 4 4 4 2 2 2 3 3 1 2 2 2 1 2 2 2 2 3 4 9 20 12 6 3 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 76 76 dt 1H J 8 19 | 75 74 m 2H | 70 70 s 1H | 42 41 q 2H J 66 | 37 37 d 2H J 9 | 15 14 s 8H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1SC(c1ccccc1)C(C=O)=C2Cl
ir: 6 3 0 5 6 2 0 3 5 2 1 4 6 4 4 13 10 4 3 4 6 4 2 4 5 2 1 8 19 17 24 15 10 4 8 7 12 8 30 30 36 31 8 12 6 4 5 11 19 3 26 5 3 0 4 6 4 1 4 7 4 3 3 6 3 1 6 10 36 27 12 6 4 4 6 7 5 3 14 7 6 6 24 6 3 2 6 12 16 5 6 5 3 5 7 4 3 4 17 19 5 3 6 3 1 3 6 7 11 18 9 5 3 3 9 4 0 4 6 4 0 4 5 4 1 4 6 6 4 6 5 6 21 10 4 22 5 7 5 4 3 28 17 27 22 8 8 2 2 4 6 1 17 8 8 4 32 42 5 2 5 6 3 1 3 4 3 1 2 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 4 1 3 5 3 1 3 5 4 2 5 8 6 12 6 9 9 6 29 43 100 27 7 8 4 3 5 4 3 2 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 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 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 96 96 d 1H J 18 | 74 73 m 7H | 73 72 t 1H J 77 | 70 70 dd 1H J 17 78 | 53 53 dd 1H J 9 19 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(c2cccc3cc(F)ccc23)CCN1CC[C@@H]1OCCc2cc(N)ccc21
ir: 10 11 3 4 9 3 10 4 3 3 5 2 5 6 7 2 2 5 2 1 2 1 2 1 1 1 1 1 1 2 2 3 2 2 3 1 1 2 1 1 1 1 1 8 5 3 3 2 2 5 7 1 1 2 20 5 6 5 2 1 1 1 2 1 3 7 4 2 2 7 8 5 2 2 1 4 3 2 5 12 8 5 30 3 11 9 3 2 3 10 3 5 6 6 7 5 2 6 5 4 2 2 1 1 1 3 3 2 3 3 1 1 2 2 0 1 2 1 1 1 2 2 4 2 2 1 1 1 1 1 0 1 2 3 2 1 2 2 1 4 2 1 0 1 1 0 0 1 3 2 2 20 3 10 13 20 100 20 6 4 4 2 3 66 2 2 2 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 0 1 2 2 1 1 2 3 1 2 4 8 1 11 75 21 5 2 1 1 1 0 0 1 1 0 0 1 1 0 0 2 20 15 3 2 1 0 0 0 1 1 1 3 16 13 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 50 85 | 77 76 m 1H | 75 74 ddd 1H J 23 30 121 | 74 73 t 1H J 77 | 71 71 m 2H | 70 70 m 1H | 66 65 m 2H | 47 47 m 1H | 40 39 ddd 1H J 40 59 112 | 39 38 ddd 1H J 40 59 112 | 36 36 dd 1H J 26 106 | 36 36 s 2H | 34 33 dd 1H J 53 106 | 33 32 qdd 2H J 38 60 115 | 31 30 ddd 1H J 37 60 113 | 30 28 m 4H | 28 27 dt 1H J 82 123 | 27 26 dt 1H J 83 123 | 22 21 dtd 1H J 64 83 132 | 20 19 dtd 1H J 62 82 130 | 12 11 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccn1)c1ccc2ncccc2c1
ir: 4 4 4 13 3 7 6 4 4 2 2 3 5 5 6 4 9 6 18 7 6 3 3 2 5 3 5 3 5 6 7 4 34 9 9 5 59 22 25 36 16 6 16 5 5 0 3 17 21 5 4 7 8 16 28 16 6 36 9 2 3 5 4 2 6 4 2 4 6 56 17 4 4 2 3 3 2 4 8 5 7 11 10 3 3 5 4 4 4 5 5 5 3 2 2 3 12 14 4 4 4 19 2 4 4 6 3 3 2 2 8 3 2 2 3 2 3 3 5 5 3 8 10 29 4 5 4 15 5 4 4 3 6 6 19 12 45 12 74 14 6 33 50 5 8 5 4 6 25 10 5 6 38 6 8 23 52 15 10 4 2 3 3 2 2 3 2 13 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 7 4 4 3 3 5 4 8 14 10 10 53 100 12 9 5 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 89 dd 1H J 17 41 | 87 87 dd 1H J 17 41 | 83 83 t 1H J 18 | 83 82 dt 1H J 20 83 | 82 81 d 1H J 82 | 81 80 dd 1H J 16 82 | 77 76 td 1H J 17 75 | 76 75 dd 1H J 41 83 | 73 73 m 2H | 42 42 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(n2nc(Br)c(Br)n2)N1Cc1nnn(Cc2cccc(C(F)(F)F)c2)c1I
ir: 3 3 2 1 5 7 0 2 2 3 2 2 2 7 2 1 1 2 2 3 3 1 1 1 2 5 3 5 1 2 2 7 8 8 3 2 2 1 1 1 1 2 1 2 5 3 22 65 16 4 3 3 1 2 1 1 1 4 5 3 6 9 3 1 4 6 6 5 6 2 5 1 3 4 2 1 1 1 3 7 8 4 3 0 8 24 2 4 9 12 8 30 14 4 3 4 1 7 10 17 14 4 8 9 5 2 4 11 8 2 2 11 29 100 13 12 9 16 4 15 7 6 9 5 6 12 9 9 6 6 6 3 5 2 1 1 1 1 1 4 10 81 7 4 7 52 10 1 0 1 1 1 4 2 1 9 3 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 2 6 11 11 9 4 7 8 1 6 12 57 16 9 34 43 9 4 4 4 2 2 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 77 76 tt 1H J 9 20 | 75 75 ddd 1H J 14 22 106 | 74 74 dd 1H J 65 106 | 74 73 ddq 1H J 10 21 64 | 58 57 t 1H J 26 | 55 54 t 2H J 9 | 50 49 d 1H J 145 | 49 48 d 1H J 146 | 28 27 ddd 1H J 53 71 134 | 26 26 ddd 1H J 53 72 134 | 24 23 dddd 1H J 26 54 72 125 | 22 21 dddd 1H J 25 53 71 149
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(CC2CCN(C)CC2)cc1
ir: 20 8 10 6 2 6 10 4 2 11 10 10 3 5 7 4 2 6 6 19 23 13 25 11 54 100 19 3 6 7 7 23 26 11 7 3 16 9 7 2 4 9 5 1 4 9 6 7 9 9 5 0 5 9 21 52 56 10 6 2 5 8 4 1 11 13 5 7 16 49 21 4 9 11 8 18 14 8 8 32 59 14 4 5 8 8 3 4 36 43 7 9 7 8 4 5 18 35 60 19 14 8 4 6 12 12 12 18 23 16 4 4 8 5 2 7 11 7 15 24 14 11 7 17 19 52 61 30 13 6 4 9 11 7 3 7 12 6 4 10 11 62 61 10 7 3 7 5 9 18 61 29 8 2 4 6 5 2 3 6 4 2 8 8 5 1 4 6 4 1 4 7 4 1 4 7 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 2 3 6 5 3 3 6 5 2 4 7 8 3 5 10 15 10 7 9 6 4 11 14 17 32 65 41 62 61 32 14 8 6 6 7 6 4 5 7 4 2 4 6 3 2 5 5 3 3 5 5 3 2 5 5 2 3 5 5 2 3 5 5 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 6 3 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 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2 4 6; 1HNMR: 78 77 m 2H | 73 72 dp 2H J 9 81 | 27 26 m 6H | 26 26 s 2H | 23 22 s 2H | 19 18 m 3H | 16 15 ddt 2H J 59 84 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1c(N)cncc1C1CC1
ir: 0 0 0 1 1 1 1 3 4 4 5 2 1 5 5 2 3 1 3 2 41 17 3 3 1 1 1 1 1 0 1 3 2 1 1 1 1 1 4 2 2 2 0 1 1 4 1 1 1 1 1 0 0 1 1 0 1 1 2 1 1 1 1 0 0 0 2 0 1 1 1 3 1 1 1 1 0 0 1 2 3 3 13 5 1 1 4 5 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 19 4 1 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 3 1 0 0 1 1 4 0 0 1 1 6 1 1 4 15 2 1 2 16 2 0 5 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 2 1 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 0 1 2 1 1 10 100 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 7 16 | 81 81 d 1H J 16 | 56 55 hept 1H J 15 | 44 44 s 2H | 34 34 d 6H J 15 | 30 29 m 1H | 13 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(C(F)(F)F)CCc2c1[nH]c1ccc(Cl)c(Cl)c21
ir: 5 8 4 11 11 9 6 4 6 6 5 18 22 14 6 8 7 10 3 6 3 4 4 3 4 6 6 7 41 49 3 6 4 3 2 4 3 3 5 5 2 2 3 5 3 3 3 4 5 4 4 10 25 4 28 2 4 4 5 3 5 4 6 4 4 4 6 6 6 8 39 6 15 14 12 12 5 4 7 9 12 7 12 19 9 4 9 11 18 30 39 9 9 6 10 51 14 13 9 12 41 18 36 7 3 8 5 4 5 58 12 4 5 5 8 3 0 7 21 11 41 8 2 5 8 4 3 6 6 3 3 4 5 3 2 3 3 3 3 3 3 4 2 3 3 3 8 5 3 3 3 3 3 3 19 3 3 3 3 5 55 5 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 3 4 6 6 6 3 7 10 12 6 7 12 7 10 7 27 10 32 29 9 9 15 6 16 11 15 100 21 22 8 8 6 5 6 5 6 7 7 4 10 5 6 29 9 26 48 11 7 5 5 10 4 4 4 4 5 3 3 3 3 3 3 2 2 3 2 3 3 3 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 95 95 s 1H | 73 73 d 1H J 73 | 72 71 d 1H J 71 | 54 53 q 1H J 33 | 31 30 ddd 1H J 80 98 152 | 29 28 ddd 1H J 79 98 150 | 25 24 dddq 1H J 22 79 100 123 | 22 21 dddq 1H J 23 81 102 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)(C(=O)CBr)c1ccc2ccccc2c1
ir: 22 22 22 22 22 22 22 25 25 28 20 45 29 23 23 23 25 24 24 23 22 22 26 22 22 22 21 24 40 26 28 22 22 24 22 22 22 23 32 23 23 32 41 51 24 21 22 24 26 20 23 28 22 0 99 12 22 26 23 35 24 28 51 16 23 29 22 21 24 36 26 21 23 30 26 32 23 24 24 28 26 24 21 22 26 23 21 21 23 32 24 26 24 23 22 26 29 25 30 24 27 24 36 34 25 28 21 22 23 23 22 24 29 35 26 33 26 24 24 23 24 23 25 41 25 24 24 29 25 28 24 23 22 22 23 61 23 22 22 24 23 49 30 23 23 23 23 36 30 22 22 23 23 25 24 23 23 29 24 23 23 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 21 22 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 21 21 22 22 21 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 22 22 23 23 24 25 24 22 22 22 23 27 27 36 26 33 55 100 33 24 22 24 23 22 21 22 22 21 21 22 22 22 21 22 22 22 21 22 22 21 21 22 22 22 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 21 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22 22 21 22 22; 1HNMR: 79 78 m 2H | 78 78 t 1H J 22 | 77 76 m 1H | 76 75 ddd 1H J 17 70 86 | 75 74 m 2H | 42 42 s 2H | 35 35 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)-c1c(nn(-c3ccccn3)c1O)CC2
ir: 5 3 5 7 5 8 7 11 13 5 4 2 6 6 4 3 4 4 5 3 2 3 7 9 9 8 6 19 12 12 24 18 16 11 17 55 30 11 6 25 64 70 33 11 8 4 5 2 3 3 5 3 5 51 75 17 8 8 3 4 4 3 5 6 10 16 44 49 11 18 8 15 7 5 2 6 3 4 6 4 20 11 12 6 7 14 14 8 7 18 24 5 4 6 3 6 9 36 22 7 7 4 2 2 5 10 12 5 6 5 4 13 43 43 15 9 5 5 5 8 4 3 2 4 6 6 2 4 6 2 1 3 16 7 2 52 78 12 11 3 1 5 4 16 4 5 6 18 8 13 6 12 7 5 75 5 7 13 15 100 20 9 4 26 36 11 3 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 4 3 4 5 4 4 2 3 6 10 17 11 34 88 83 68 14 65 26 8 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 91 91 s 1H | 86 86 dd 1H J 17 34 | 82 81 td 1H J 16 68 | 77 76 m 2H | 71 71 dt 1H J 9 82 | 70 69 d 1H J 27 | 68 67 dd 1H J 27 84 | 39 38 s 2H | 31 31 m 2H | 30 30 tt 2H J 8 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2[nH]cc(Cc3cccnc3)c2c1
ir: 13 4 4 8 3 10 4 6 2 3 3 3 7 5 4 2 3 4 3 2 2 4 4 3 25 36 11 9 33 5 5 5 5 15 12 6 6 23 3 5 5 3 3 2 3 7 4 2 2 3 2 2 2 5 13 23 6 12 4 1 3 4 5 14 13 8 7 12 15 8 8 4 4 4 6 4 3 3 3 4 4 3 2 3 3 3 2 3 3 3 3 3 3 3 5 4 2 2 8 3 1 14 2 2 4 4 20 24 19 13 0 8 44 4 2 3 4 3 4 4 7 13 20 12 8 6 3 3 5 3 2 3 3 3 2 3 3 2 5 40 8 38 9 11 3 1 2 3 2 2 4 10 45 62 32 6 3 4 6 12 5 25 4 5 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 2 14 5 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 1 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 4 2 3 3 2 1 2 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 3 3 4 3 2 4 6 3 5 4 17 31 28 16 11 27 20 9 9 7 2 4 3 2 2 3 3 2 1 2 3 2 2 4 3 3 10 100 75 26 9 3 3 2 2 3 3 2 2 2 4 5 3 3 3 2 2 3 2 1 2 3 2 2 3 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 1 2 3; 1HNMR: 98 97 d 1H J 68 | 85 85 dq 1H J 10 20 | 84 84 ddd 1H J 13 20 42 | 80 80 d 1H J 19 | 75 75 dtt 1H J 9 19 76 | 75 74 dd 1H J 22 59 | 74 73 d 1H J 58 | 73 72 dd 1H J 43 75 | 71 71 dq 1H J 8 69 | 40 39 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CN)ccc2c1ncn2C1CCCCO1
ir: 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 3 3 1 1 1 1 1 0 0 1 0 1 2 4 1 1 1 1 0 1 0 0 0 1 2 2 1 4 2 5 8 2 2 3 1 4 8 17 2 1 1 1 2 2 5 2 16 17 12 4 3 1 2 4 1 3 5 5 6 1 0 1 0 0 1 1 1 1 0 1 1 1 0 1 1 1 3 1 1 4 3 2 1 1 1 1 2 7 3 2 0 1 1 0 0 2 4 3 2 2 4 7 3 5 2 5 9 5 9 13 6 6 6 1 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 0 1 2 1 1 2 2 7 4 3 5 3 1 1 1 0 1 1 1 1 1 2 2 7 17 15 7 5 4 5 4 7 52 100 6 3 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 74 73 m 2H | 59 59 m 1H | 40 39 m 2H | 39 38 m 1H | 37 37 m 1H | 25 24 s 2H | 24 23 dddd 1H J 29 45 97 104 | 21 20 m 1H | 19 18 m 1H | 18 16 m 3H | 15 14 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)(F)C[C@H]3C(N)=O)CC2)c1
ir: 1 1 3 1 1 3 1 2 2 4 8 3 1 1 2 3 2 4 9 23 6 5 5 5 3 1 1 2 6 0 3 12 19 13 6 5 8 5 3 10 3 1 1 7 2 3 3 1 0 1 2 1 0 1 1 2 3 3 4 1 1 1 3 0 1 1 2 2 5 2 0 0 3 3 5 5 9 3 3 1 0 0 0 0 2 2 1 1 2 1 1 1 0 2 0 4 6 7 2 1 4 3 2 5 8 4 3 5 8 9 2 2 5 9 3 3 1 1 1 2 1 5 5 3 2 5 8 6 4 1 2 1 6 6 0 0 1 0 2 1 1 1 1 2 19 6 1 2 17 2 11 2 1 0 2 1 2 17 38 2 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 3 1 2 2 3 3 3 3 8 4 3 3 3 1 9 4 5 1 0 0 0 0 0 0 0 0 0 2 27 6 2 0 0 0 0 0 0 1 2 3 6 100 18 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 dd 1H J 13 49 | 84 83 d 1H J 14 | 78 78 d 1H J 9 | 76 76 d 1H J 49 | 76 75 d 1H J 9 | 67 67 s 2H | 45 44 tdd 1H J 22 35 44 | 41 40 dt 1H J 128 155 | 40 38 dtd 1H J 19 127 149 | 36 35 ddd 2H J 60 88 124 | 34 33 ddd 2H J 60 88 124 | 27 25 m 2H | 24 23 m 1H | 24 24 s 3H | 22 21 ddt 2H J 59 88 121 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=Cc1cccc(Oc2ccccc2)c1)CBr
ir: 0 0 0 1 0 1 2 2 2 1 0 1 0 1 1 1 1 0 0 0 2 0 0 0 0 1 0 2 2 1 3 6 2 5 2 12 0 2 5 18 3 21 48 15 5 3 7 26 6 7 4 2 1 0 0 1 1 3 2 1 2 9 2 2 5 2 9 10 35 10 6 3 2 1 3 4 2 5 14 3 3 2 1 1 1 0 0 0 0 0 4 1 1 6 3 1 1 5 2 1 1 2 5 7 6 2 1 0 0 0 1 1 5 1 1 1 1 4 3 2 1 1 1 1 2 1 3 2 1 1 0 1 3 1 2 22 3 1 1 4 4 2 12 38 19 6 2 0 1 1 1 17 10 6 1 1 2 1 1 11 1 1 2 10 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 3 1 2 2 2 5 6 12 26 100 46 11 7 6 2 1 1 1 4 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 q 3H J 78 | 71 71 m 2H | 70 70 m 3H | 69 68 dd 1H J 18 25 | 64 64 p 1H J 15 | 40 39 d 2H J 13 | 19 18 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccnc(OC)c1
ir: 13 15 7 5 7 5 4 6 0 2 5 4 3 7 7 11 6 13 8 15 10 6 4 2 4 2 1 4 4 4 6 4 12 15 17 6 7 3 2 2 3 5 2 3 6 3 5 1 2 1 1 3 1 3 3 2 3 3 1 0 3 6 5 22 41 22 12 37 17 18 9 10 8 34 5 25 7 3 1 1 2 2 2 1 1 3 1 1 1 4 19 42 5 6 4 4 1 3 11 10 16 13 2 2 2 2 1 2 3 4 4 28 10 16 13 13 9 7 5 6 9 7 14 11 14 5 2 4 3 7 2 6 4 6 15 5 15 10 25 16 5 8 18 100 64 94 16 13 14 5 2 3 3 1 2 2 1 2 6 28 79 13 2 2 1 0 1 1 1 0 1 1 1 0 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 2 4 4 4 2 4 6 2 2 3 2 6 13 14 18 15 56 22 9 9 4 1 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 45 | 69 69 ddt 1H J 9 20 46 | 64 64 m 1H | 42 41 q 2H J 66 | 39 39 s 2H | 30 29 tt 2H J 8 88 | 27 26 t 2H J 83 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1cccc2cc(OCCn3ccnn3)ccc21
ir: 2 4 1 7 6 2 0 17 5 2 4 2 2 1 1 1 1 3 5 3 1 1 1 2 1 1 2 7 18 54 4 1 1 2 1 1 4 5 1 1 5 5 1 1 4 12 5 1 2 2 2 0 1 8 100 21 2 3 2 1 2 1 1 1 2 4 1 9 13 19 2 2 1 1 1 1 8 0 4 4 3 4 2 2 6 13 4 2 2 1 2 2 4 23 13 8 10 1 1 2 4 5 1 1 1 1 1 2 10 8 9 4 2 2 2 1 1 1 1 1 2 2 5 3 1 2 3 1 1 3 15 15 6 2 2 1 2 6 2 2 14 1 1 2 5 2 3 2 6 10 8 7 15 4 2 2 11 2 1 2 42 13 2 2 1 1 10 7 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 1 2 1 2 3 4 9 8 18 87 32 12 14 16 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 43 43 td 2H J 8 43 | 42 42 dd 1H J 15 61 | 40 39 t 2H J 44 | 39 39 d 1H J 64 | 34 33 m 2H | 33 33 dt 1H J 18 70 | 30 29 dd 1H J 15 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cc1cnc(Cl)c(Cl)c1)Nc1ccc(Cl)nc1O
ir: 1 5 2 4 5 2 0 2 2 6 4 3 4 6 6 14 5 1 8 5 2 1 1 0 1 1 1 1 3 2 1 1 1 4 5 12 10 6 7 2 3 8 8 1 2 4 3 4 3 5 3 2 2 4 3 8 8 12 5 5 2 1 1 1 1 1 0 0 1 11 14 6 3 5 3 4 9 4 9 7 6 1 1 1 3 8 13 4 1 2 1 3 2 1 4 2 0 0 1 1 3 5 2 1 1 6 2 1 2 3 1 0 0 0 1 0 1 7 29 9 5 2 3 20 9 3 0 2 1 0 0 1 1 1 10 14 1 1 1 0 0 3 1 1 0 0 1 6 8 0 9 1 1 2 1 1 1 0 3 2 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 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 0 0 1 1 0 2 3 1 5 9 5 2 2 1 1 1 1 2 5 100 27 4 1 0 0 0 0 0 0 0 0 0 1 2 5 10 33 13 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; 1HNMR: 88 88 s 1H | 84 84 dt 1H J 9 17 | 79 79 dt 1H J 8 17 | 76 75 d 1H J 75 | 72 71 d 1H J 75 | 45 45 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)c2ccccc12
ir: 4 1 1 1 1 1 2 4 2 4 1 2 4 2 2 1 1 0 1 1 0 1 3 6 3 6 4 3 7 3 2 3 2 1 2 3 5 5 5 14 36 16 7 16 37 8 14 13 4 3 2 1 2 2 11 4 1 1 0 0 1 0 0 0 0 0 0 1 1 0 2 0 2 1 1 1 1 0 0 0 0 0 0 2 1 0 0 0 1 3 2 1 3 4 2 4 1 1 1 1 3 11 4 3 3 7 6 7 1 1 0 3 1 1 0 1 3 4 3 5 4 3 8 6 28 16 9 5 5 3 3 2 1 2 1 1 1 2 3 2 9 5 100 17 2 10 18 13 7 8 6 14 4 2 1 1 1 2 2 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 1 1 1 1 1 1 2 10 3 5 16 24 11 6 3 1 1 0 0 0 0 0 0 0 1 1 1 2 1 0 1 2 4 7 18 25 58 9 7 2 2 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 m 1H | 84 83 m 1H | 81 81 t 1H J 61 | 80 79 m 2H | 76 75 m 2H | 73 72 tq 1H J 20 51 | 40 39 m 4H | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1
ir: 2 6 6 5 1 5 7 7 3 9 9 5 32 7 6 2 0 3 6 6 3 3 5 3 2 5 26 15 4 4 16 2 5 10 26 4 1 5 14 8 3 3 2 2 2 5 3 2 4 3 4 2 4 6 18 25 58 16 9 1 5 4 3 3 5 5 8 8 4 30 5 1 5 5 1 4 4 4 2 0 3 5 16 3 4 3 3 17 10 4 2 5 5 5 1 2 7 7 2 8 6 9 16 8 6 7 15 4 7 11 0 3 5 2 0 2 5 5 3 10 11 9 4 6 6 8 12 12 10 5 3 5 4 1 1 2 4 1 1 3 4 1 4 21 26 5 16 100 51 22 15 31 60 10 7 6 3 1 2 3 2 5 2 3 2 0 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 7 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 4 4 3 4 5 3 1 5 14 3 16 13 4 28 74 22 13 8 4 4 6 2 3 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2; 1HNMR: 76 76 m 2H | 75 74 m 2H | 72 72 dt 2H J 9 87 | 69 68 m 2H | 50 50 p 1H J 36 | 44 44 dd 1H J 38 123 | 42 41 ddd 2H J 36 71 123 | 39 39 dd 1H J 31 123 | 37 36 s 2H | 36 36 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)N(C)C)c(OC)c2)cc1OC
ir: 6 9 8 7 17 29 6 7 6 4 8 4 6 4 9 5 4 5 8 9 3 4 4 5 9 6 5 4 2 3 3 2 2 4 4 3 4 7 4 3 3 4 4 2 4 7 3 3 2 6 4 7 10 19 30 42 12 9 7 2 4 5 5 7 4 10 11 13 21 20 10 4 8 6 5 3 4 3 3 3 3 4 2 2 4 4 4 5 14 12 33 6 6 6 4 4 6 6 6 4 12 15 5 8 11 13 3 4 7 5 0 6 56 9 5 6 9 7 10 9 6 6 9 16 14 16 8 6 6 5 5 7 15 13 5 5 6 3 4 6 5 3 5 43 23 48 4 4 7 22 100 35 13 5 12 7 5 1 2 4 3 2 6 4 3 1 3 4 3 1 3 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 3 2 1 3 4 2 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 4 2 3 4 4 3 5 9 8 3 9 8 8 7 27 13 60 46 21 24 8 5 4 5 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 71 70 d 1H J 90 | 69 68 ddt 1H J 8 18 90 | 68 67 d 1H J 79 | 67 67 dt 1H J 9 19 | 66 66 ddt 1H J 8 18 79 | 66 65 dt 1H J 8 18 | 43 42 m 1H | 40 40 m 1H | 39 38 d 6H J 22 | 38 38 s 2H | 31 30 s 5H | 30 29 m 1H | 28 25 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc2c(ccn2C(=O)OCC2c3ccccc3-c3ccccc32)c1
ir: 18 7 21 26 30 24 14 5 6 2 1 5 4 2 1 7 13 11 6 2 4 5 3 2 3 4 1 1 2 5 6 3 3 2 3 2 4 1 9 3 9 2 35 3 2 3 2 1 1 2 1 2 8 37 27 21 2 1 1 1 1 1 1 1 1 1 9 10 7 1 3 3 5 5 4 4 2 1 4 33 42 6 2 3 2 4 11 10 1 5 4 1 2 1 1 3 2 5 22 7 12 4 1 14 13 2 1 1 0 1 4 3 1 1 2 1 14 11 0 1 2 1 1 2 1 2 3 1 3 3 1 7 2 0 0 15 41 16 6 10 25 13 3 7 9 11 5 9 28 18 11 3 10 20 53 41 43 19 17 5 5 3 2 6 32 3 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 0 1 1 1 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 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 2 2 1 2 3 3 6 6 3 2 6 12 10 53 80 27 24 15 7 2 3 2 2 1 1 1 1 0 1 2 2 9 29 3 1 1 1 1 1 1 1 2 13 95 100 25 2 2 2 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 81 | 78 77 m 2H | 77 76 ddd 2H J 7 15 77 | 76 75 td 2H J 12 77 | 75 74 d 1H J 51 | 74 74 td 2H J 14 78 | 71 71 t 1H J 22 | 68 68 m 2H | 46 45 d 2H J 38 | 43 43 td 1H J 8 41 | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn2c3c(c(F)c(F)c(NCc4ccccc4)c3c1=O)CCN2C
ir: 6 4 3 2 2 2 2 2 1 5 5 5 4 3 5 8 7 4 3 6 11 12 3 7 6 4 4 8 10 4 3 6 10 8 9 8 16 15 30 22 13 11 11 9 4 5 5 6 6 5 18 100 36 7 11 2 8 3 6 6 4 3 6 3 4 3 8 1 4 5 3 1 4 3 6 3 3 5 4 3 4 3 1 1 2 3 2 5 6 5 2 2 4 2 2 1 3 3 3 3 4 9 2 1 3 2 1 7 2 3 2 3 6 15 11 4 8 12 7 9 8 6 3 6 6 6 9 4 6 3 5 19 7 3 4 9 34 4 3 4 6 16 10 42 12 25 18 7 20 20 9 2 3 2 2 7 4 6 46 52 9 0 3 3 35 2 2 3 2 0 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 2 3 2 4 3 2 1 2 3 2 6 9 12 6 27 14 8 11 7 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 6 3 9 8 9 26 72 12 6 7 7 2 3 2 4 1 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 82 s 1H | 78 77 m 1H | 74 72 m 5H | 46 46 dt 2H J 9 55 | 43 42 q 2H J 71 | 34 33 t 2H J 43 | 30 29 m 2H | 27 27 s 2H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(Oc2ccc(OCc3cc(C4CC4)no3)cc2)n1
ir: 0 0 1 0 4 5 2 1 1 2 1 2 1 1 1 1 1 1 0 0 0 0 0 2 0 1 1 1 1 1 1 1 2 1 2 1 1 2 4 1 3 1 1 1 1 4 12 9 4 1 1 1 3 4 12 2 3 3 2 2 0 0 1 2 1 1 2 5 4 4 1 2 5 6 3 1 1 8 1 0 1 2 1 1 1 2 3 2 1 1 1 1 1 1 0 0 0 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 4 2 1 1 1 1 0 1 1 1 11 15 7 3 1 1 1 1 1 1 2 3 51 1 2 8 7 16 100 41 7 2 1 0 0 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 1 5 2 6 16 15 37 11 6 3 1 2 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 78 | 71 71 dd 1H J 12 78 | 70 70 m 2H | 69 68 m 3H | 64 63 q 1H J 7 | 53 53 d 2H J 7 | 18 17 m 1H | 10 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(N=C=S)cn1
ir: 18 16 12 21 27 25 15 26 13 10 15 9 27 11 3 10 16 7 12 12 5 10 4 7 7 4 5 4 8 11 8 11 22 35 60 33 26 16 22 16 10 5 6 8 6 8 5 23 9 7 9 18 33 76 86 30 24 41 14 20 4 3 4 4 8 4 3 5 16 25 75 15 3 1 7 13 13 9 7 5 5 4 8 19 18 12 8 4 7 20 25 12 9 13 11 7 6 10 12 14 8 13 16 9 1 7 7 4 1 3 6 6 3 9 9 5 3 5 8 8 4 5 10 16 17 25 15 9 5 7 8 8 11 14 9 14 22 14 18 97 63 47 31 13 2 5 4 3 8 24 36 12 8 5 4 4 5 3 12 28 100 23 5 0 3 5 3 1 3 5 5 15 4 7 3 0 2 5 2 0 3 4 2 1 3 4 2 1 2 3 2 1 3 3 2 2 3 3 2 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 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 5 8 4 3 2 3 4 3 2 3 5 5 3 6 12 19 9 10 13 52 8 7 6 3 2 5 4 3 1 3 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 d 1H J 19 | 71 71 dd 1H J 20 70 | 68 67 d 1H J 70 | 33 32 q 4H J 74 | 11 11 t 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(CC(=O)OC)cc1
ir: 6 4 5 9 17 7 4 4 3 5 1 2 3 3 1 1 1 1 1 3 3 2 1 2 5 4 6 2 2 2 3 2 1 2 2 1 10 15 3 3 2 2 3 2 9 4 2 5 3 4 4 5 5 6 14 30 33 29 13 6 4 1 3 8 19 12 7 2 3 29 2 0 2 2 1 3 2 2 1 0 1 1 1 1 1 2 8 14 3 3 5 3 11 8 5 2 4 5 6 9 5 8 25 12 2 2 3 2 2 3 4 6 16 8 4 4 9 6 10 26 18 9 6 6 3 14 19 17 5 2 4 3 2 1 1 1 1 1 1 1 2 3 6 18 34 23 10 73 23 16 10 7 7 4 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 3 4 5 5 6 3 3 3 4 3 6 18 22 10 43 100 78 11 10 6 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 dt 2H J 9 86 | 69 68 m 2H | 40 39 t 2H J 54 | 37 36 s 2H | 36 36 d 2H J 9 | 19 18 qt 2H J 53 78 | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCCC[C@@H]1CC[C@@H](c2cccc(F)c2F)CC1
ir: 2 2 4 3 0 3 4 4 5 5 4 3 3 2 4 2 1 4 3 2 1 2 3 1 2 2 2 1 2 3 2 1 1 3 3 3 27 14 6 6 8 6 3 4 4 10 23 47 28 12 3 2 3 5 4 2 3 4 3 2 3 3 5 4 3 4 4 4 4 3 4 4 9 4 6 6 5 7 7 2 8 9 9 16 31 34 48 31 44 32 30 21 14 30 12 9 6 8 2 4 2 4 5 10 15 10 39 26 5 8 14 6 2 5 5 4 4 6 5 9 12 6 3 6 4 3 2 2 3 3 8 3 4 5 6 5 6 6 5 5 18 12 5 3 3 2 2 2 2 2 2 2 2 1 2 5 8 12 5 3 2 1 2 3 2 2 2 3 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 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 2 3 2 1 3 4 6 14 16 8 12 9 6 5 13 11 9 20 18 25 21 14 15 63 39 22 15 12 19 12 98 100 55 20 19 7 12 7 6 6 7 4 8 5 7 4 5 9 8 12 8 2 4 5 4 4 4 4 3 4 7 3 2 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 71 m 2H | 71 70 m 1H | 36 35 q 2H J 58 | 29 28 m 1H | 27 27 t 1H J 59 | 19 18 m 2H | 17 11 m 15H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CNc2cc([N+](=O)[O-])ccc2N1
ir: 24 5 1 7 11 3 0 4 8 11 7 4 6 3 3 8 10 4 3 7 6 8 8 9 5 2 2 5 5 3 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 0 2 5 3 1 2 6 4 14 17 16 4 0 3 6 2 0 3 5 2 0 3 10 12 1 3 6 2 1 3 4 2 1 4 6 3 1 4 4 2 1 4 4 2 2 5 5 2 3 6 4 1 2 5 4 31 23 5 4 1 2 4 3 0 2 5 3 0 8 6 3 0 3 6 3 2 4 5 5 3 5 5 3 1 5 6 2 1 3 4 3 1 7 8 16 49 23 12 4 2 3 4 3 2 4 3 2 17 34 20 2 3 4 4 4 6 5 3 1 3 4 3 1 2 4 2 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 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 1 2 4 3 1 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 7 6 1 9 19 13 4 3 5 3 2 3 4 3 3 5 4 2 1 3 4 2 2 4 4 9 27 30 100 50 8 9 8 3 2 4 4 1 2 4 4 3 3 5 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 78 77 dd 1H J 22 90 | 75 75 d 1H J 22 | 71 70 d 1H J 90 | 53 53 d 1H J 68 | 52 51 t 1H J 49 | 41 40 m 1H | 37 36 ddd 1H J 27 50 128 | 34 34 ddd 1H J 27 49 128 | 12 11 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCN1CCC(c2ccc(N)cc2)CC1
ir: 14 11 36 51 18 36 0 32 42 41 23 12 16 6 5 7 10 5 4 5 4 4 3 4 11 3 4 5 5 3 4 5 3 7 9 4 4 4 5 7 8 4 4 5 5 4 3 5 5 4 7 5 9 65 61 100 18 6 14 12 8 5 7 9 15 8 12 8 10 12 7 4 12 7 7 5 4 13 39 21 41 11 5 5 7 8 25 28 27 23 12 11 7 8 6 7 7 8 10 6 10 9 8 6 15 7 35 6 2 3 4 4 4 4 3 4 3 5 6 5 4 5 4 4 2 3 4 4 4 9 7 4 3 3 6 9 7 7 9 9 5 3 3 2 3 4 5 3 3 8 6 11 13 45 31 55 83 40 16 4 6 3 5 94 9 4 4 2 3 3 2 2 3 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 3 4 3 3 5 3 4 5 5 4 4 4 6 8 12 25 37 26 27 12 7 5 3 2 3 4 2 2 4 4 2 2 3 4 3 49 44 16 3 2 3 3 2 3 6 8 47 77 86 34 10 8 3 3 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 70 70 m 2H | 66 66 m 2H | 42 42 s 2H | 31 31 ddd 2H J 55 82 115 | 28 27 m 1H | 26 25 t 2H J 65 | 25 25 t 2H J 59 | 23 23 s 5H | 23 22 ddd 2H J 54 82 114 | 21 20 ddt 2H J 54 82 128 | 18 17 ddt 2H J 54 82 128 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(C)(N)C(F)(F)F
ir: 6 5 4 3 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 0 1 1 2 1 1 1 2 3 7 11 23 14 2 2 6 2 4 3 3 2 2 0 1 1 1 0 1 1 1 0 2 3 6 5 2 0 1 2 1 1 2 3 3 2 9 11 3 4 12 9 11 7 4 7 2 10 21 4 2 2 0 0 1 1 0 0 1 1 0 1 3 2 1 4 4 2 1 2 2 4 4 3 2 2 3 4 0 2 2 2 2 2 1 1 0 1 1 2 2 4 4 3 4 5 3 10 9 6 4 6 5 7 13 25 41 8 8 1 2 1 1 1 2 2 3 19 30 3 2 27 15 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 6 18 3 1 0 1 1 1 0 1 0 1 0 1 1 1 2 4 11 16 8 9 4 1 3 7 100 67 16 13 6 5 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 58 57 t 1H J 80 | 36 35 ddq 1H J 22 79 145 | 34 33 ddq 1H J 22 79 145 | 31 31 q 2H J 33 | 14 14 s 8H | 12 12 q 3H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([S@](=O)C[C@](O)(CC(C)(C)c2cc(Cl)cc3c2OCC3)C(F)(F)F)cc1
ir: 1 1 2 1 0 1 2 1 1 3 3 2 5 3 2 2 0 2 4 2 1 4 2 4 3 6 4 2 2 3 2 2 1 2 2 0 4 2 3 1 1 3 1 1 1 2 1 0 1 6 3 2 20 4 1 2 1 2 1 1 1 3 2 3 3 4 6 15 3 4 2 1 1 1 1 0 1 1 0 1 1 2 1 2 3 2 1 2 2 2 1 1 3 10 4 3 3 9 4 33 7 1 2 3 8 9 3 3 2 1 2 4 7 1 2 2 3 2 1 3 2 2 2 3 4 6 2 2 2 1 1 2 3 2 0 1 2 2 2 2 1 1 1 2 3 3 2 3 6 1 1 1 2 1 1 1 1 0 1 1 2 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 2 2 3 5 4 6 6 23 11 9 100 45 5 6 3 2 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 74 73 m 2H | 72 71 m 2H | 47 46 q 1H J 33 | 44 44 t 2H J 42 | 35 34 dq 1H J 25 136 | 32 31 m 3H | 26 25 dq 1H J 25 132 | 24 24 d 3H J 9 | 21 20 dq 1H J 24 132 | 15 14 s 2H | 14 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)(Cn2ccnc2)CC1
ir: 4 5 4 4 7 2 1 3 3 12 18 5 6 4 4 2 5 5 3 1 2 1 1 1 1 1 1 3 6 4 39 9 7 5 1 3 4 2 3 3 4 11 13 13 7 2 3 4 1 1 2 1 4 3 5 3 14 2 13 4 5 32 19 40 20 9 6 2 3 1 2 2 1 9 4 4 13 6 6 2 4 10 5 6 10 9 11 10 17 5 4 3 7 1 7 10 8 13 6 5 2 4 6 14 30 10 6 4 4 2 5 8 12 19 29 53 19 17 28 22 28 17 45 21 7 12 11 32 28 21 58 28 12 7 24 7 8 3 3 3 2 2 2 3 4 12 31 3 3 1 1 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 3 8 10 10 8 10 6 6 8 13 13 8 11 4 11 22 35 96 33 14 25 36 100 26 14 16 6 7 57 5 0 3 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 tt 1H J 9 17 | 72 71 ddt 1H J 9 18 27 | 71 70 dd 1H J 16 29 | 40 39 t 2H J 9 | 38 37 ddd 2H J 31 59 126 | 34 33 ddd 2H J 30 58 126 | 31 31 s 1H | 21 21 ddd 2H J 31 59 126 | 19 18 ddd 2H J 31 59 126 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CC=CN1c1ccccc1-2
ir: 5 3 4 4 3 4 5 6 6 5 4 4 4 4 6 5 12 5 4 3 3 4 12 15 14 4 3 3 4 9 6 7 11 15 3 4 7 10 5 6 4 7 53 93 9 5 3 5 3 0 19 5 4 3 6 9 4 2 5 9 19 16 24 22 14 5 4 9 5 14 6 10 20 8 16 4 6 15 5 3 3 3 3 4 13 3 4 3 2 4 7 12 7 4 4 5 4 5 8 9 5 5 6 9 7 8 16 10 29 13 12 4 4 10 9 11 17 18 13 18 25 12 10 8 7 14 11 14 22 36 16 13 12 5 7 5 6 18 20 32 86 7 7 10 25 8 5 4 4 3 19 4 3 4 4 3 5 3 3 3 3 10 4 3 3 2 14 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 7 7 11 7 3 4 4 7 7 6 20 7 17 13 35 94 35 35 32 65 100 9 6 4 3 5 4 3 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 81 81 s 1H | 76 76 dd 1H J 14 68 | 75 74 m 1H | 74 73 td 1H J 13 72 | 72 71 ddt 1H J 9 18 75 | 71 70 dd 1H J 14 69 | 56 55 ddt 1H J 16 49 67 | 55 55 dtd 1H J 16 29 76 | 27 26 dddd 1H J 9 31 49 134 | 25 24 dddd 1H J 9 30 68 134 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CN(c1c(C)cccc1C)S(C)(=O)=O)=NO
ir: 7 51 19 13 2 12 18 16 60 64 11 6 12 6 14 11 17 19 7 2 1 4 4 1 1 4 4 2 1 4 4 2 2 4 9 7 2 4 3 1 2 5 10 8 4 5 14 10 5 6 8 4 3 5 2 0 2 11 10 1 2 4 4 3 4 5 4 5 20 16 25 16 6 4 7 2 22 25 22 19 6 7 3 3 5 6 85 20 8 3 3 2 13 27 7 4 5 3 5 11 7 5 4 11 28 20 22 12 7 5 2 3 3 2 1 2 3 3 5 4 12 8 9 5 4 2 0 3 4 3 1 3 4 3 3 4 3 2 2 10 12 7 1 4 10 12 3 4 3 0 1 3 2 0 1 3 2 1 3 3 2 1 2 3 2 0 2 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 3 2 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 1 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 7 20 5 3 4 3 2 3 5 4 4 4 5 15 11 17 21 22 47 12 9 3 0 3 9 2 100 71 1 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 97 97 s 1H | 72 71 m 4H | 43 42 s 2H | 31 31 s 3H | 24 23 s 6H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cccc2ccc(C=O)c(OCOC)c12
ir: 7 6 5 4 12 7 7 9 7 5 6 5 9 5 7 4 3 5 4 3 3 4 8 5 3 4 9 10 3 8 13 4 4 6 4 3 4 8 23 6 4 7 5 0 19 5 7 8 56 21 13 34 8 2 28 10 6 6 10 13 6 12 16 5 5 6 33 24 8 5 6 7 55 27 27 17 9 22 13 6 7 7 4 4 4 3 3 5 5 16 10 4 4 10 4 5 6 4 3 3 5 4 3 7 33 42 30 11 12 68 15 7 5 4 4 4 4 10 5 19 8 9 41 10 10 7 10 9 7 4 3 4 4 12 23 9 9 7 9 10 6 3 3 4 6 12 3 6 29 16 6 5 5 5 4 8 17 15 4 4 7 3 3 3 4 11 91 7 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 4 3 3 3 3 3 3 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 6 5 4 5 6 8 6 4 4 4 5 4 5 18 24 16 21 45 100 23 11 5 4 5 4 2 4 4 3 2 3 4 3 2 4 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3; 1HNMR: 79 78 d 1H J 82 | 77 77 dd 1H J 15 79 | 75 75 d 1H J 82 | 74 74 t 1H J 78 | 71 70 ddt 1H J 8 15 77 | 51 51 s 2H | 35 35 s 3H | 29 29 td 2H J 9 64 | 17 16 qt 2H J 65 76 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(cnn3C)c2)cc1
ir: 8 9 3 2 2 2 2 3 2 1 2 4 13 5 8 38 11 7 3 2 0 1 1 1 0 1 1 1 0 0 1 3 1 3 1 0 2 1 3 6 4 1 5 2 2 4 3 2 1 2 3 7 12 11 9 48 5 1 3 4 8 10 2 2 5 11 6 33 35 7 7 4 3 2 2 3 1 13 3 1 1 1 0 0 72 3 1 16 7 3 14 4 1 1 2 6 6 2 2 10 9 11 9 10 43 14 15 10 3 1 1 2 1 2 5 6 4 2 2 4 4 1 3 2 6 9 1 11 7 3 2 4 6 2 0 1 1 0 0 1 2 2 4 29 6 3 3 3 4 1 1 4 3 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 4 7 7 62 18 3 4 1 1 1 1 1 1 1 0 1 2 1 1 2 3 3 3 6 55 100 5 6 2 1 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 2H | 80 80 d 1H J 17 | 79 79 m 3H | 76 75 d 1H J 83 | 73 72 ddt 1H J 8 19 83 | 60 59 t 1H J 73 | 43 42 dt 2H J 9 73 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)ccc1-c1cc(Cl)ncn1
ir: 2 2 3 2 5 4 4 3 1 1 1 2 2 2 1 2 6 2 2 3 3 1 2 2 3 2 1 2 2 1 1 2 3 4 12 36 30 54 11 2 4 6 6 2 2 10 3 1 1 2 2 2 4 70 38 64 5 2 2 2 2 2 2 4 5 12 25 14 22 13 6 15 6 4 2 4 2 2 2 1 2 2 2 5 6 4 5 9 3 2 1 3 15 10 3 4 5 2 2 1 2 1 1 2 2 2 2 9 2 2 2 3 2 2 2 1 2 2 3 4 3 3 2 2 4 6 2 3 3 3 4 4 3 1 0 50 56 3 4 1 1 2 2 2 35 20 5 2 11 76 16 9 10 47 4 11 5 100 27 2 3 5 38 9 5 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 2 3 2 3 6 9 20 63 44 12 6 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 d 1H J 14 | 78 77 dd 1H J 49 88 | 74 74 d 1H J 14 | 71 70 ddd 1H J 22 88 102 | 67 67 dd 1H J 21 121 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CC(C)CC(=O)Cl
ir: 3 2 1 3 6 10 3 6 3 4 2 5 3 2 1 5 5 3 4 2 1 1 1 1 2 1 0 1 1 0 0 1 1 0 1 3 3 1 2 6 6 10 100 28 4 4 4 3 2 1 2 2 1 1 1 1 1 2 2 1 1 2 2 5 4 1 2 2 2 1 2 2 2 2 7 4 2 1 1 1 1 2 3 8 7 6 6 9 2 2 5 3 2 2 2 1 1 1 1 2 1 1 4 2 2 3 2 3 9 8 11 5 1 2 2 2 1 4 2 8 5 7 3 1 1 2 3 3 1 3 6 4 3 5 5 4 12 25 21 12 5 1 10 13 1 1 2 2 22 28 3 1 1 1 2 1 0 2 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 6 4 3 3 2 2 3 6 3 5 15 12 18 52 21 7 3 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 td 1H J 18 75 | 72 71 ddt 1H J 9 18 80 | 70 70 ddd 1H J 9 75 83 | 69 68 dd 1H J 10 75 | 38 38 s 2H | 30 29 m 2H | 27 26 m 2H | 24 22 m 1H J 78 | 11 10 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CC(=O)O)CC4)c3c2)c1
ir: 2 4 6 4 1 7 7 6 5 9 15 9 6 18 19 67 38 32 28 29 40 100 39 25 19 24 22 8 8 9 16 50 8 32 15 34 25 24 15 4 5 7 5 6 8 18 12 7 5 6 4 7 19 18 33 11 5 7 4 0 4 4 5 6 9 27 7 26 13 10 4 2 8 7 9 12 26 10 30 19 22 60 9 7 8 13 10 5 6 6 2 4 4 9 6 10 6 24 10 15 17 16 30 18 16 25 5 12 12 15 36 16 20 23 1 7 10 9 1 17 12 5 6 18 18 16 19 11 10 6 4 7 5 10 7 7 12 2 1 5 4 3 8 37 39 16 22 12 20 22 8 5 9 4 8 5 46 11 4 5 4 1 2 3 2 3 1 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 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 2 3 2 0 1 3 2 0 2 4 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 3 1 1 4 5 5 4 4 5 2 3 4 6 5 22 14 17 24 25 18 7 2 3 6 9 9 37 64 15 6 7 3 2 1 3 3 2 2 4 9 68 60 20 52 72 56 8 6 3 3 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 2 2 1 1 3 2 0 1 3; 1HNMR: 93 92 s 1H | 88 87 t 1H J 17 | 82 82 d 1H J 25 | 81 81 m 2H | 78 77 dd 1H J 24 93 | 77 77 d 1H J 93 | 75 74 t 1H J 17 | 39 39 s 2H | 34 34 m 4H | 29 28 ddd 2H J 57 84 121 | 27 26 ddd 2H J 57 84 122 | 19 18 ddt 2H J 56 84 130 | 18 17 tt 1H J 44 55 | 16 15 ddt 2H J 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)c(C(=O)c2ccc3ccccc3c2)c(Cl)c1
ir: 1 1 1 1 2 1 1 1 1 2 7 100 5 1 2 4 2 1 1 3 4 1 0 1 2 0 1 2 2 0 0 2 2 1 1 2 4 2 3 2 1 2 65 6 2 0 1 2 1 1 1 3 2 1 20 3 2 0 1 3 3 0 4 5 1 0 2 3 2 2 3 2 2 1 2 8 1 0 2 2 1 0 2 2 1 1 1 2 1 1 2 3 1 1 3 2 1 5 3 2 0 1 4 3 33 4 2 1 1 1 2 2 4 15 5 1 0 1 2 1 0 1 2 4 3 3 2 1 1 2 2 2 4 3 8 11 2 1 2 2 1 2 3 4 3 2 3 3 8 18 2 1 3 0 12 1 3 5 11 13 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 3 2 7 25 33 26 3 4 8 5 3 2 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 84 83 t 1H J 19 | 80 80 m 1H | 80 79 m 2H | 79 79 dd 1H J 15 81 | 77 76 td 1H J 12 73 | 76 76 ddd 1H J 14 69 84 | 73 73 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCC(=O)CO
ir: 2 5 2 4 2 2 1 1 1 1 1 2 1 2 3 1 2 1 3 2 2 3 3 6 6 3 1 2 2 2 2 2 1 1 2 1 1 2 2 2 2 2 3 3 2 1 3 4 1 2 2 4 2 2 2 0 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 3 4 8 32 14 18 44 49 33 38 10 10 4 2 2 1 1 2 1 1 2 1 0 1 4 5 5 3 6 8 9 4 8 3 2 6 5 9 4 4 3 3 1 2 2 1 2 3 2 2 1 2 2 2 0 2 5 10 17 8 4 2 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 3 1 2 1 1 1 2 1 1 1 1 2 1 3 10 6 3 6 3 6 3 4 7 12 17 6 7 3 1 3 3 6 7 8 34 100 45 16 8 6 2 0 1 2 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 42 41 d 2H J 59 | 33 32 t 1H J 59 | 25 24 t 2H J 85 | 16 15 tt 2H J 74 85 | 14 12 m 16H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1C(=O)O
ir: 1 2 2 3 2 3 1 1 1 4 3 3 0 2 1 2 6 6 6 2 5 20 17 20 10 4 3 2 1 2 1 2 2 4 2 1 1 1 1 2 5 6 3 4 3 1 6 2 1 3 2 1 1 2 2 1 4 4 1 1 1 1 0 0 1 3 5 2 3 1 0 1 1 1 1 8 1 2 9 12 8 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 4 2 1 2 1 1 6 1 1 1 3 2 2 0 1 2 1 0 0 1 1 2 3 2 1 1 1 1 1 0 1 2 1 2 1 1 1 1 3 1 0 1 1 1 6 3 8 3 4 2 3 4 2 31 60 3 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 2 1 1 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 1 1 1 1 3 1 4 11 5 1 1 1 1 0 2 5 58 100 6 1 1 1 1 0 2 1 1 1 1 5 4 4 28 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 94 s 1H | 81 80 d 1H J 22 | 80 79 s 1H | 76 75 dd 1H J 21 91 | 74 72 m 3H | 73 73 s 3H | 72 71 t 1H J 52 | 71 70 d 1H J 91 | 46 46 s 2H | 43 43 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccc3c2C1(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)CCC3
ir: 7 2 2 3 5 3 3 6 2 12 10 12 30 11 8 11 7 6 22 17 10 11 14 5 4 8 6 5 3 8 13 5 5 5 7 9 11 5 2 4 3 3 4 7 3 2 15 4 5 4 3 3 8 34 25 7 8 12 7 1 3 3 2 1 2 3 3 5 4 5 4 0 2 3 2 4 4 6 10 4 4 6 3 5 4 4 25 14 7 7 7 8 29 8 11 3 6 5 2 9 7 3 6 4 5 4 8 13 2 4 1 5 9 8 6 6 8 6 4 7 5 3 2 7 6 6 5 5 2 4 8 5 5 2 7 4 5 3 2 3 14 5 1 2 2 2 3 6 6 4 4 1 8 8 2 2 1 0 5 24 5 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 2 4 2 5 2 1 3 3 4 6 16 20 23 74 15 7 4 5 5 5 100 32 6 2 1 1 1 1 1 0 1 2 0 1 2 6 2 11 22 6 2 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 91 90 s 1H | 73 73 m 2H | 73 72 m 4H | 69 68 ddt 1H J 9 21 57 | 34 34 s 1H | 31 30 ddd 2H J 38 64 123 | 30 29 ddd 2H J 37 64 123 | 29 27 m 2H | 25 24 m 2H | 23 22 m 3H | 22 21 m 1H | 21 19 m 5H | 19 17 m 1H | 17 15 m 3H | 15 14 dqd 1H J 68 78 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCn2c(cc(OCc3cc(F)c(F)cc3F)nc2=O)N1C
ir: 3 3 1 2 3 3 1 2 5 4 4 4 5 6 3 4 3 2 1 3 3 2 2 3 3 1 1 3 3 1 1 3 4 2 2 3 3 2 3 4 4 4 9 37 12 5 4 6 11 2 2 3 2 1 2 4 2 1 3 3 4 1 2 3 2 3 6 4 12 6 9 11 13 30 7 5 3 2 2 3 2 2 4 4 1 2 5 9 5 5 9 4 2 3 8 6 3 5 4 3 2 2 3 3 2 2 3 2 1 2 3 2 2 4 11 5 8 3 5 5 3 6 9 9 6 6 5 4 3 3 8 2 2 3 2 3 5 5 4 3 18 4 2 2 2 2 3 3 2 2 2 13 10 10 66 5 3 1 2 5 8 100 5 0 1 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 3 3 3 2 3 3 2 3 3 4 5 4 8 22 10 4 9 5 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 72 dtt 1H J 8 43 121 | 70 69 td 1H J 43 121 | 54 53 dd 2H J 8 36 | 53 53 s 1H | 41 40 ddd 1H J 51 78 112 | 40 39 ddd 1H J 51 77 112 | 37 35 m 1H | 29 29 d 3H J 16 | 20 19 dddd 1H J 40 51 77 118 | 18 17 dddd 1H J 51 68 77 119 | 12 12 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CCC(C)C(OC)OC)C(C)C
ir: 1 4 3 3 1 6 5 6 3 5 2 5 5 6 4 4 1 2 4 2 2 2 2 1 2 10 8 3 1 2 2 1 1 2 1 1 1 2 3 2 3 3 2 2 4 11 5 6 31 21 7 5 6 45 40 8 14 15 9 8 21 18 31 26 14 7 14 100 45 28 28 59 19 27 25 20 35 49 64 26 36 9 13 12 71 61 10 2 3 3 2 2 2 3 1 3 4 3 11 10 15 4 10 6 11 10 6 7 18 12 19 17 35 16 13 13 33 21 26 36 48 25 27 23 12 6 5 4 10 5 7 10 3 3 2 2 3 2 3 3 3 2 1 3 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 3 1 1 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 5 16 7 4 14 17 3 7 13 9 16 20 44 22 24 39 31 20 5 4 4 3 1 2 3 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 2; 1HNMR: 40 39 ddq 1H J 15 29 72 | 34 33 m 7H | 33 32 d 3H J 15 | 19 17 hept 1H J 72 | 17 16 m 2H | 16 15 dtd 1H J 73 81 132 | 14 13 dtd 1H J 71 82 132 | 13 12 dtd 1H J 73 80 132 | 10 9 ddd 6H J 15 70 84 | 9 9 dd 3H J 15 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2ncccc2c(-c2ccc(Cl)cc2)c1OS(=O)(=O)C(F)(F)F
ir: 12 3 1 4 4 8 2 10 14 3 17 10 34 7 3 2 5 5 2 2 2 2 1 5 0 3 3 2 1 7 3 2 1 2 3 1 3 3 2 5 35 3 2 1 2 3 3 1 12 3 15 4 36 36 19 13 11 4 3 2 2 10 2 3 7 4 8 3 9 5 30 8 6 3 3 2 2 2 2 2 2 2 2 4 6 100 7 2 3 9 11 3 3 2 1 2 5 24 23 4 5 3 2 9 2 2 2 2 2 2 5 5 2 2 2 2 2 2 3 2 4 7 6 4 2 6 5 3 3 2 1 3 7 2 2 2 2 2 2 3 10 17 4 4 3 22 10 4 3 2 2 9 8 3 3 6 6 4 2 2 2 2 2 2 2 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 5 5 6 14 59 29 13 5 4 4 4 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 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 dd 1H J 21 41 | 82 81 dd 1H J 20 75 | 75 74 m 7H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](N)c1ccccc1F
ir: 3 3 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 7 4 8 4 2 100 4 3 4 3 3 3 3 3 22 12 20 11 3 3 5 5 3 5 29 6 24 10 7 10 11 5 6 4 9 7 9 5 4 4 7 9 0 5 4 5 5 9 4 4 4 3 3 4 3 5 6 3 7 3 3 3 3 4 3 3 3 3 3 3 4 6 4 3 3 3 4 4 4 3 4 4 4 5 5 5 6 7 6 7 6 6 6 6 26 75 34 9 10 4 4 3 4 3 5 7 6 6 3 4 5 5 13 4 3 3 3 3 3 3 4 3 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 4 3 4 4 4 3 4 4 4 4 14 10 18 13 5 3 3 3 3 4 4 5 5 4 12 32 13 8 7 5 5 6 14 37 26 14 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 74 74 dddd 1H J 7 16 35 86 | 73 71 m 3H | 42 41 m 1H | 21 21 d 2H J 56 | 15 15 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(C(C)c2ccc(C(C)(C)C)cc2)cc1
ir: 0 2 3 2 4 3 3 2 1 4 3 2 1 3 4 3 4 13 8 7 6 5 11 20 18 9 5 2 5 5 5 4 3 4 3 2 4 8 3 1 1 2 2 1 2 2 2 0 2 3 3 1 9 22 70 39 18 4 3 4 2 10 8 3 2 1 4 4 11 19 17 5 4 5 2 1 3 2 2 1 2 1 1 1 2 2 1 3 2 4 4 2 5 6 4 2 3 3 4 3 6 6 3 1 2 2 2 3 6 11 4 4 11 4 2 5 4 6 7 6 8 6 5 9 18 16 12 9 13 3 5 4 10 8 2 2 4 2 1 5 20 52 78 7 5 4 3 3 5 19 39 32 11 14 6 5 3 2 2 1 1 2 3 5 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 4 2 2 2 1 2 2 2 1 6 6 8 13 29 16 23 100 39 15 6 5 3 4 4 4 3 2 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 73 72 m 5H | 71 71 m 2H | 39 38 dtd 1H J 9 62 70 | 26 26 s 3H | 15 14 d 3H J 68 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
ir: 7 6 11 2 0 5 2 1 5 2 2 2 1 10 4 3 2 2 3 3 4 2 2 2 15 36 6 2 1 3 2 1 6 2 2 1 1 4 9 2 2 6 10 47 4 3 2 1 28 3 2 1 1 2 1 1 2 2 2 1 2 2 2 3 2 2 1 1 2 4 3 3 4 6 15 3 4 4 2 1 3 14 2 3 4 4 13 4 4 2 1 1 2 2 1 1 3 6 21 7 2 2 3 1 2 2 1 2 2 2 3 3 8 14 8 12 13 10 2 2 3 1 1 2 2 1 1 4 2 1 1 2 2 1 1 14 3 8 1 2 3 15 3 18 5 3 16 10 7 1 1 2 2 1 1 2 2 1 3 3 2 6 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 5 6 7 100 50 2 5 7 2 2 2 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 78 78 m 2H | 76 75 dd 1H J 32 54 | 75 74 m 2H | 43 42 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.
Nc1ccc(C#CCOC2CCCCO2)cc1F
ir: 14 14 20 17 16 11 20 12 8 7 5 4 5 5 3 4 4 3 3 3 3 3 3 3 3 3 3 4 4 4 3 3 3 3 3 4 3 3 4 4 6 4 4 4 4 4 3 3 3 3 3 5 9 10 12 7 5 3 4 3 3 3 3 2 5 3 4 10 7 9 6 9 9 9 5 4 7 8 5 4 6 9 4 3 3 2 3 3 3 4 4 3 3 4 3 3 2 2 3 3 16 10 3 2 3 3 3 3 3 3 4 5 4 4 3 4 6 5 3 3 3 3 3 4 3 4 3 3 3 4 3 3 2 3 3 2 2 2 2 2 2 2 3 2 2 3 3 2 2 4 7 3 6 5 7 33 67 12 7 0 3 32 91 7 3 2 3 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 2 2 2 2 2 2 2 2 3 3 4 4 3 3 4 4 3 3 3 3 4 8 5 4 4 22 8 3 4 3 3 3 3 3 3 2 3 3 3 2 3 3 2 90 55 14 2 3 2 3 3 3 2 3 14 61 100 9 1 2 4 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 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 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 72 71 dd 1H J 21 89 | 71 71 dd 1H J 21 121 | 70 69 dd 1H J 47 88 | 48 48 t 1H J 25 | 43 43 d 1H J 88 | 42 42 d 1H J 90 | 39 39 d 2H J 33 | 38 38 m 1H | 36 36 m 1H | 19 18 m 1H | 18 17 dddt 1H J 62 73 91 119 | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.