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CS(=O)(=O)OCCOCc1ccc(F)cc1
ir: 4 6 4 8 14 9 5 10 3 6 4 1 1 1 1 2 4 1 5 0 0 1 1 0 0 1 1 0 0 1 1 0 0 3 3 4 3 3 1 1 1 2 2 3 3 3 6 4 4 3 3 1 3 12 12 33 21 18 40 35 3 0 2 7 12 3 6 6 6 13 16 12 23 100 18 4 5 5 6 4 4 3 1 2 5 11 12 82 38 69 8 3 2 2 2 2 11 7 8 10 60 59 36 26 4 3 2 1 1 1 1 1 2 1 1 1 2 3 1 7 11 19 21 7 6 3 4 3 2 1 1 1 1 0 1 1 1 1 0 1 1 1 2 1 2 3 6 8 4 1 1 2 2 1 1 1 1 1 1 2 2 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 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 6 6 7 2 1 1 1 1 1 1 1 2 4 22 36 36 30 39 25 22 5 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 ddt 2H J 8 35 79 | 72 71 m 2H | 45 45 d 2H J 9 | 42 42 t 2H J 57 | 38 38 t 2H J 58 | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C#Cc1cccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)c1
ir: 1 1 2 2 1 1 5 5 6 6 7 6 4 2 5 5 14 8 2 1 2 1 1 3 2 2 1 1 1 1 14 2 2 2 2 3 3 2 1 3 2 6 13 7 11 7 11 4 6 8 2 3 1 2 5 1 2 1 2 0 4 4 5 3 3 17 28 4 2 4 2 1 2 5 5 4 2 3 6 2 7 11 8 3 10 61 39 25 12 16 9 12 6 15 5 17 4 7 5 7 5 16 4 3 3 3 1 1 3 1 1 1 3 2 2 5 10 8 19 26 12 13 8 7 6 17 6 4 4 3 2 3 1 1 1 1 2 2 1 4 6 3 2 4 13 9 5 3 1 5 3 2 3 0 5 1 1 0 1 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 2 4 14 25 12 9 3 1 1 1 1 1 1 1 1 1 1 2 1 1 4 8 14 16 10 9 18 43 100 18 30 5 6 2 2 1 1 1 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 81 80 t 1H J 21 | 80 79 dt 1H J 20 69 | 79 79 dd 1H J 14 84 | 77 76 dd 1H J 14 80 | 76 75 m 2H | 75 75 td 1H J 14 77 | 74 73 ddd 1H J 14 75 89 | 60 59 s 2H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC1CC2(CCN(C(=O)Cc3ccc(F)cc3C(F)(F)F)CC2)c2c(Cl)cccc21
ir: 4 7 8 4 3 5 9 14 11 14 7 15 4 10 6 8 8 6 4 13 20 57 100 11 22 4 6 5 5 3 3 4 6 8 9 2 3 4 7 4 3 3 6 16 5 11 27 33 13 6 8 4 5 11 8 5 26 13 4 5 4 3 3 3 2 3 8 20 18 5 2 1 3 6 4 2 7 12 22 68 9 11 4 3 3 7 12 10 4 5 3 5 3 6 4 6 11 5 30 42 10 7 16 7 7 5 3 6 7 11 6 14 5 4 5 7 8 6 4 9 17 14 9 9 12 9 2 9 20 19 6 7 5 2 9 9 10 6 8 21 7 4 12 37 16 23 9 48 37 8 15 4 3 2 8 19 5 3 2 2 2 2 6 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 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 2 2 2 2 2 2 2 2 2 2 3 3 3 3 6 3 11 6 4 5 8 6 6 5 8 12 12 17 56 27 19 7 9 3 3 5 14 68 33 3 0 2 4 3 1 3 3 1 1 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 73 m 2H | 73 72 m 3H | 71 70 m 1H | 38 37 ddd 2H J 33 60 124 | 37 37 d 2H J 10 | 35 34 ddd 2H J 33 60 123 | 33 32 m 1H | 29 28 dd 1H J 76 164 | 27 26 dd 1H J 75 165 | 23 22 m 3H | 21 20 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C(=O)O)c1csc2cc(F)ccc12
ir: 1 1 2 3 2 1 1 2 3 3 2 6 4 5 6 10 10 12 13 11 35 100 33 16 13 3 1 2 1 1 2 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 11 11 4 2 5 10 6 2 3 2 1 2 5 7 3 1 2 2 1 1 3 4 17 39 17 23 15 9 11 9 1 8 5 3 1 3 3 3 2 3 1 1 0 0 1 1 1 1 3 2 4 5 4 4 3 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 2 3 2 1 2 3 12 76 32 5 1 1 1 1 3 8 5 2 1 0 0 1 1 0 4 2 4 3 4 2 1 1 1 2 1 0 1 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 4 4 4 15 9 4 11 12 5 3 1 2 7 12 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 dd 1H J 49 79 | 74 74 dd 1H J 22 121 | 74 74 s 1H | 72 71 ddd 1H J 22 80 102 | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccccc2)nc1COc1cccc(CSc2cccc(CC#N)c2)c1
ir: 1 1 2 2 5 6 2 2 3 3 1 2 1 2 3 2 2 1 2 1 1 1 1 2 2 1 3 3 6 6 12 9 6 6 9 9 5 5 6 6 21 8 5 3 5 6 19 16 8 12 3 0 1 2 2 2 3 5 2 2 1 2 3 1 3 3 10 9 15 16 1 1 2 1 1 2 3 4 5 2 2 3 2 1 3 6 5 3 2 6 5 2 1 1 2 3 4 1 2 1 1 0 1 1 2 2 2 2 3 2 1 2 3 1 1 3 2 4 3 2 3 5 11 10 8 2 3 3 2 4 3 1 1 2 2 16 3 3 3 11 37 6 12 6 2 4 1 2 1 1 1 2 7 5 8 6 1 1 1 1 3 9 2 1 1 1 0 1 1 0 0 1 0 0 1 1 1 1 1 9 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 3 4 1 1 2 5 3 4 20 16 12 100 70 10 11 5 2 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 80 79 m 2H | 75 74 m 3H | 74 73 m 1H | 73 73 ddq 1H J 10 20 75 | 73 71 m 4H | 69 68 ddd 1H J 13 22 81 | 68 67 tt 1H J 8 20 | 53 53 s 2H | 41 40 t 2H J 9 | 38 38 t 2H J 8 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1[C@H](C(=O)O)CCCN1C(=O)OC(C)(C)C
ir: 2 2 1 2 9 1 3 2 3 3 2 8 2 3 2 3 2 2 3 7 3 16 9 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 9 7 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 6 4 2 1 1 2 1 2 2 2 2 1 2 2 2 4 2 2 3 3 3 4 3 4 6 4 5 3 2 2 2 2 2 4 3 4 2 2 2 2 4 2 1 2 2 1 2 3 4 1 2 1 1 1 2 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 2 2 2 7 8 1 1 2 1 0 1 2 1 0 3 6 54 100 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 40 39 p 1H J 77 | 37 36 m 1H | 35 34 m 1H | 28 28 m 1H | 21 19 m 2H | 18 17 m 2H | 15 14 s 8H | 13 12 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)Cc1ccccc1
ir: 4 4 4 4 7 5 3 2 2 3 9 7 7 3 2 2 2 3 3 2 3 2 2 2 2 2 2 1 2 7 4 7 2 3 2 2 2 4 19 24 21 9 3 6 6 4 2 1 1 1 1 1 1 2 2 1 1 1 1 3 3 2 2 2 2 2 1 2 6 11 6 3 2 3 2 2 3 9 7 4 4 3 3 3 3 4 9 26 34 100 18 4 3 3 5 2 2 5 3 2 1 1 1 1 1 2 3 2 1 1 1 1 2 2 4 2 2 2 3 2 3 6 5 1 2 5 4 1 1 2 2 3 1 3 33 14 29 1 0 2 2 0 6 60 6 4 4 2 1 1 1 4 5 1 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 3 2 3 5 7 11 34 32 45 7 2 3 1 2 10 39 7 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 3H | 72 71 dtd 2H J 10 19 65 | 41 40 hd 1H J 53 67 | 30 29 ddt 1H J 8 66 136 | 27 27 ddt 1H J 9 68 137 | 25 24 d 1H J 53 | 13 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2Br)ccc2c1OC[C@@H]1C[C@H]21
ir: 21 6 3 4 3 4 4 5 3 5 4 2 3 1 6 5 5 2 2 7 5 3 7 3 1 0 0 1 2 2 1 1 1 3 5 6 2 1 1 3 4 12 12 7 5 7 6 5 6 4 7 20 23 22 3 3 26 34 35 14 7 1 4 7 5 2 5 17 3 1 1 1 1 1 1 2 1 1 3 5 1 2 9 20 2 10 47 0 1 1 1 2 1 2 2 2 1 3 2 1 1 2 12 2 0 4 14 78 60 8 6 12 5 2 0 1 1 2 2 5 8 29 15 4 2 1 1 3 1 1 1 1 3 2 1 1 1 5 6 7 5 2 3 9 2 3 2 1 6 12 20 13 9 2 10 15 3 3 14 23 9 1 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 5 6 14 100 27 6 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 15 68 36 10 3 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 80 79 dd 1H J 46 92 | 75 75 dd 1H J 22 121 | 74 73 d 1H J 86 | 73 72 ddd 1H J 21 92 101 | 72 71 m 1H | 42 41 dd 1H J 20 106 | 40 39 dd 1H J 47 105 | 39 38 s 3H | 20 19 dddd 1H J 7 55 63 92 | 19 18 m 1H | 14 13 td 1H J 55 75 | 11 10 dt 1H J 64 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c(=O)c(C(=O)O)cc2c(Cl)cccc21
ir: 0 3 5 3 0 4 4 3 0 3 5 5 12 14 12 9 2 5 4 2 11 75 100 9 4 2 3 2 2 4 3 2 2 4 5 5 5 9 7 3 3 7 7 4 3 3 28 50 78 25 18 0 3 5 4 1 2 5 2 2 5 6 2 0 2 4 2 0 3 6 4 2 5 7 5 8 33 43 29 8 11 16 8 3 4 4 3 3 4 4 3 2 5 5 1 1 3 2 1 8 9 3 1 3 7 5 2 3 4 6 15 13 6 3 0 3 5 2 2 4 7 3 1 3 14 19 12 5 3 5 8 14 4 3 2 5 5 3 3 5 6 4 4 4 5 23 28 7 11 4 3 4 16 58 40 9 50 33 6 5 3 2 3 6 9 9 4 3 2 1 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 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 2 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 1 3 4 2 2 3 2 1 2 3 3 1 2 4 4 4 11 9 9 15 40 29 8 3 3 4 3 2 47 50 4 1 2 3 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 82 s 1H | 74 74 m 2H | 73 73 dd 1H J 36 58 | 48 48 p 1H J 71 | 14 13 d 7H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(Nc2c(C(=O)NOCCO)n(C3CC3)c3ccncc23)c(F)c1
ir: 3 4 8 3 7 4 4 3 2 6 4 3 3 4 5 6 7 7 4 14 11 18 16 22 17 16 17 22 24 35 22 10 10 9 8 14 11 18 6 9 9 10 8 7 10 33 59 13 7 11 8 8 4 3 5 15 14 18 13 10 2 3 3 2 2 2 15 19 12 2 6 3 5 9 8 3 2 2 4 8 2 6 9 2 4 2 4 7 4 3 3 13 11 6 6 10 13 27 21 13 5 3 6 11 3 3 3 1 3 6 4 4 43 6 4 14 7 4 3 2 2 2 7 3 4 2 2 3 4 5 47 9 2 7 6 13 2 3 4 2 3 5 36 10 4 7 6 3 5 7 21 9 13 9 7 21 10 13 41 6 4 9 9 100 4 4 3 0 2 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 2 2 2 1 4 7 5 3 9 8 10 33 24 11 12 54 39 7 6 4 2 1 2 2 2 1 2 2 3 7 4 5 22 14 16 47 45 91 15 2 3 2 2 1 3 2 1 2 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; 1HNMR: 94 94 d 1H J 40 | 92 92 d 1H J 17 | 86 85 dd 1H J 14 41 | 73 73 d 1H J 42 | 71 71 m 2H | 70 69 dd 1H J 20 121 | 44 44 p 1H J 38 | 38 38 m 2H | 38 38 s 3H | 33 32 m 1H | 25 25 s 3H | 16 16 ddd 2H J 38 74 86 | 14 13 ddd 2H J 39 74 97
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)c1ccc(OC(C)(C)C(=O)OC)cc1
ir: 6 6 8 3 5 6 5 4 5 10 10 5 5 9 3 9 16 7 5 3 9 10 9 12 5 5 5 5 4 7 5 2 5 8 6 5 4 12 8 8 6 5 4 2 4 9 16 13 15 5 11 2 3 19 36 47 33 41 11 4 3 6 3 3 9 5 3 7 4 8 5 3 5 6 4 13 7 5 2 3 3 4 3 11 21 7 31 11 10 7 3 5 6 4 3 6 4 4 12 11 6 4 1 2 3 3 2 5 14 6 3 3 7 5 16 10 23 32 6 19 10 17 9 13 12 14 8 21 12 7 16 7 13 5 4 3 3 3 5 8 43 19 41 38 100 20 11 7 10 21 51 9 19 4 2 5 3 1 2 4 2 2 6 15 3 1 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 5 6 4 2 4 4 4 4 6 5 1 4 5 13 16 20 25 34 69 75 44 11 2 4 4 4 2 4 4 2 1 2 3 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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; 1HNMR: 79 78 m 2H | 70 70 m 2H | 38 37 s 3H | 34 33 q 2H J 75 | 15 15 s 5H | 12 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1nc2n(c1C(=O)NC1CC1)C1CC(C1)c1ccc(Br)cc1-2
ir: 2 4 2 1 1 2 2 9 2 2 2 2 2 1 1 2 9 3 2 1 3 8 17 8 10 27 13 5 3 2 3 2 2 5 3 3 2 3 7 4 3 6 6 19 25 24 8 3 2 3 3 11 8 8 3 4 1 2 1 2 2 1 5 3 1 1 2 19 2 2 1 1 2 2 4 10 3 4 2 3 1 1 1 1 2 3 1 3 2 2 2 2 1 2 4 4 6 3 4 2 5 2 2 2 2 3 3 14 3 2 1 2 3 1 1 10 2 1 0 1 2 2 2 1 2 1 1 1 3 4 3 5 2 8 20 4 4 4 10 5 14 46 8 7 2 35 16 34 5 1 5 16 5 0 23 24 6 100 5 4 1 3 12 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 1 1 1 1 1 1 1 3 5 2 2 4 6 3 3 6 42 10 15 5 5 6 2 2 1 1 1 1 1 1 1 1 1 1 2 16 1 1 1 1 2 2 1 1 1 2 2 3 61 7 16 9 8 12 5 2 1 4 3 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 26 | 75 74 dd 1H J 26 86 | 73 73 dd 1H J 7 86 | 72 72 d 1H J 64 | 71 71 s 2H | 46 46 p 1H J 48 | 33 33 pd 1H J 7 50 | 30 29 dp 1H J 47 66 | 24 24 dt 2H J 48 115 | 22 21 dt 2H J 48 114 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5c(c4)ncn5C)cc3c21
ir: 3 1 2 4 9 3 5 2 3 3 38 31 3 3 1 2 21 18 2 16 6 10 9 6 3 1 2 3 3 1 2 2 3 4 3 1 19 2 3 39 26 3 1 2 3 3 3 2 4 5 5 3 4 1 4 5 5 5 21 11 2 2 4 3 4 3 6 18 8 10 5 10 7 7 3 2 3 6 2 2 1 1 1 4 2 1 3 1 2 6 7 14 1 1 4 5 16 1 2 23 17 15 6 1 1 2 5 1 2 1 2 3 36 3 3 5 4 7 3 7 9 7 6 10 15 7 4 4 4 2 5 3 3 1 1 1 1 51 26 30 65 4 3 16 2 3 3 1 7 17 23 6 5 1 5 100 15 36 4 3 3 2 25 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 0 1 1 0 0 1 1 0 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 0 0 1 1 0 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 2 2 1 1 0 1 1 1 1 2 2 2 1 4 10 9 19 13 24 13 13 10 16 4 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 89 89 s 1H | 88 87 d 1H J 25 | 87 86 d 1H J 18 | 84 83 m 2H | 81 80 d 1H J 9 | 80 79 dd 1H J 24 81 | 74 73 s 1H | 39 39 d 3H J 7 | 38 38 s 3H | 36 36 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1cc(C2OCCO2)cs1
ir: 3 12 5 10 6 8 7 13 9 8 9 4 3 3 3 3 10 5 2 14 3 3 3 3 1 3 3 2 3 7 9 7 3 2 1 1 1 1 1 1 1 1 1 0 1 2 2 5 4 4 4 5 3 8 16 14 17 14 7 7 7 5 4 3 3 3 4 27 7 2 2 2 3 7 25 48 13 18 11 71 100 47 44 5 4 3 2 5 58 35 7 1 2 3 1 8 4 2 1 1 2 1 1 1 3 2 3 2 4 2 3 23 7 6 14 19 26 35 8 4 3 7 3 4 23 19 16 7 23 9 1 2 2 2 1 1 2 2 2 1 1 5 32 34 17 27 13 4 3 1 1 2 2 1 3 10 8 2 3 2 1 1 1 2 2 4 10 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 3 3 4 7 3 3 4 5 5 2 15 34 10 11 14 24 42 21 4 2 2 1 1 1 2 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 157 | 75 74 dd 1H J 7 17 | 73 73 m 1H | 65 64 d 1H J 158 | 59 58 d 1H J 9 | 40 40 m 2H | 39 38 m 2H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Cl)c(NC(=O)C2(N3CCOCC3)CC2)c1
ir: 1 1 1 1 1 1 1 3 2 2 2 1 2 2 2 4 0 2 3 8 18 100 14 4 2 1 1 4 2 0 0 1 2 1 1 2 1 0 1 4 3 3 4 8 8 5 3 3 1 2 2 2 1 1 12 1 1 3 1 2 1 0 1 1 0 1 1 1 1 2 2 2 2 3 3 7 2 6 8 5 3 2 3 3 3 2 10 4 5 2 1 3 3 3 1 1 1 4 10 1 1 1 1 0 0 0 0 0 0 0 1 2 3 2 1 1 3 6 8 2 1 1 1 2 3 1 1 0 0 1 1 1 1 3 1 1 2 3 1 1 0 1 1 0 1 3 15 7 6 4 3 2 6 3 1 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 1 2 1 1 2 1 3 7 2 5 4 2 1 0 1 1 1 12 6 0 0 0 0 0 1 0 1 0 1 1 4 5 7 3 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 0 0; 1HNMR: 96 95 s 1H | 84 83 d 1H J 22 | 78 78 dd 1H J 21 85 | 75 75 d 1H J 86 | 37 37 dd 4H J 46 53 | 29 29 m 4H | 19 18 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.
CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(Cc2ccccc2)CC1
ir: 4 3 2 1 2 2 3 2 7 4 8 3 0 2 3 4 4 5 4 4 3 4 2 5 4 3 8 10 24 11 6 10 13 5 6 10 3 11 19 18 14 6 9 5 4 3 2 3 2 1 1 2 2 2 2 4 2 1 2 3 1 1 1 4 2 0 2 1 4 4 1 1 1 1 1 1 2 7 3 2 4 3 2 5 6 1 1 1 0 5 2 1 1 0 1 2 4 3 3 5 3 2 1 2 2 1 1 2 1 1 2 3 4 4 4 4 2 6 11 2 4 2 3 1 4 5 2 2 2 2 6 8 3 3 2 9 4 5 3 2 2 2 7 28 13 31 12 9 5 9 5 2 1 1 2 3 1 8 10 6 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 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 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 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 1 2 2 3 20 11 6 15 10 5 1 1 1 1 1 0 1 2 1 1 1 1 1 1 3 1 0 1 1 1 2 5 11 7 2 2 4 100 21 7 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 m 6H | 64 64 s 2H | 57 56 d 1H J 84 | 44 43 dt 1H J 64 84 | 37 36 d 2H J 7 | 35 34 m 4H | 27 26 t 4H J 48 | 24 23 dt 1H J 86 172 | 23 22 dt 1H J 86 171 | 20 19 dtd 1H J 66 87 144 | 18 17 dtd 1H J 64 86 145 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CN(C)C(=O)CCCSc1ccc2ccccc2c1
ir: 4 3 3 3 7 6 3 6 5 4 7 13 7 3 1 3 3 2 2 4 4 4 5 8 10 4 8 3 4 4 4 3 3 4 4 4 3 2 4 7 71 92 93 30 15 4 7 11 3 2 4 11 12 14 22 9 4 0 4 7 11 4 5 9 8 2 3 5 6 8 6 5 7 7 15 9 3 3 3 4 2 2 3 4 3 2 4 5 2 4 7 9 7 4 3 4 11 7 7 4 2 4 8 13 29 6 4 5 7 7 9 5 3 4 6 5 14 10 6 7 20 15 9 15 7 6 8 6 2 3 5 4 2 5 12 17 8 12 21 7 8 8 4 6 13 15 19 43 25 27 16 13 21 5 6 4 4 14 6 6 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 2 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 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 3 4 4 5 4 3 3 5 3 8 4 12 16 13 33 90 100 33 11 14 8 2 3 3 3 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 78 77 m 3H | 76 76 t 1H J 22 | 75 74 m 2H | 73 72 m 2H | 72 72 td 1H J 18 76 | 70 70 td 1H J 10 78 | 68 68 dd 1H J 10 75 | 45 45 d 2H J 7 | 38 38 s 2H | 30 29 t 2H J 66 | 29 29 s 2H | 25 24 t 2H J 75 | 19 18 tt 2H J 66 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC(=O)N2CCC(C(=O)c3ccc(Br)cc3)CC2)cc1
ir: 6 6 9 7 7 7 11 8 5 8 7 5 6 7 7 16 10 10 9 10 12 16 21 11 7 6 6 11 13 8 11 6 8 19 40 11 22 32 31 34 39 34 28 28 12 6 6 16 15 7 9 8 7 13 49 63 26 44 17 8 7 10 10 29 10 6 8 6 9 32 5 4 4 3 3 5 6 5 4 3 4 3 4 4 4 11 16 48 16 6 3 4 3 5 4 6 8 9 13 13 9 6 7 5 6 9 14 12 7 11 25 12 5 10 22 14 3 12 8 10 12 10 23 36 23 13 8 17 7 8 4 12 10 9 9 5 4 4 5 4 3 10 17 62 37 78 46 25 24 28 89 46 100 3 9 11 6 0 2 6 4 0 6 4 3 2 3 5 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 3 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 4 3 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 4 5 8 10 6 4 6 6 9 4 10 26 14 28 47 69 45 20 21 9 8 12 9 4 5 5 4 3 4 4 4 10 7 4 6 9 8 17 12 24 28 40 23 8 5 4 3 3 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3; 1HNMR: 79 78 m 2H | 78 77 m 2H | 72 72 dt 2H J 8 84 | 69 68 m 2H | 62 61 t 1H J 60 | 44 43 dt 2H J 9 60 | 38 38 s 2H | 38 37 ddd 2H J 57 84 132 | 34 34 ddd 2H J 57 84 132 | 32 31 p 1H J 58 | 22 21 ddt 2H J 57 84 126 | 20 19 ddt 2H J 57 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(-c2ccc(Cl)cc2)c1
ir: 0 0 0 0 1 3 10 9 5 7 1 0 0 0 1 1 2 1 5 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 6 11 36 19 32 6 2 1 0 1 2 1 0 1 1 4 6 9 3 3 10 3 4 2 1 0 1 0 0 0 1 0 1 2 4 2 1 1 1 2 3 1 1 2 10 10 11 2 1 0 0 0 1 0 0 2 0 1 0 0 0 1 0 1 1 1 1 2 2 7 9 7 3 3 3 1 1 1 8 2 1 1 0 0 0 1 0 1 1 3 8 1 2 13 22 4 5 7 23 5 3 2 3 1 1 1 0 1 3 1 0 3 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 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 1 1 1 1 1 2 1 1 2 2 2 1 4 4 6 53 100 42 29 15 12 5 8 10 2 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 3H | 74 73 m 2H | 72 71 m 1H | 71 71 dq 1H J 10 84 | 24 24 d 3H J 10 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C=O)c(C(C)C)c1
ir: 9 4 0 5 10 4 1 9 12 7 3 6 11 6 2 6 7 3 2 7 12 5 1 9 10 8 2 19 12 3 3 8 7 1 1 9 7 1 2 9 7 1 4 14 23 7 12 14 7 4 100 47 80 71 23 27 9 7 11 14 9 3 9 33 12 16 40 43 45 24 15 19 19 39 22 29 19 25 14 7 5 3 8 7 2 8 20 18 4 5 12 13 2 6 9 7 3 24 47 11 11 5 9 11 19 30 28 8 0 6 12 7 4 7 18 18 9 14 15 9 6 13 15 12 8 11 10 9 15 8 10 2 1 6 6 2 1 6 7 4 3 8 18 65 26 13 13 22 81 15 7 5 17 39 56 25 9 10 5 3 4 11 12 68 92 16 9 4 5 8 5 1 4 8 4 0 5 8 3 0 4 7 3 1 5 7 3 1 5 6 2 1 5 6 2 1 5 6 3 2 5 5 1 2 6 5 1 2 6 5 1 2 6 4 1 3 7 4 0 3 7 4 0 3 7 4 0 3 7 3 0 4 7 3 1 4 7 3 0 4 6 3 1 4 6 3 1 5 6 2 1 5 6 2 2 5 5 2 2 5 5 2 2 7 5 2 3 6 5 7 17 8 6 2 5 10 8 5 5 13 18 7 18 33 56 20 52 59 71 41 13 10 4 2 6 6 4 1 4 6 3 2 4 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1; 1HNMR: 78 78 d 1H J 86 | 70 69 dd 1H J 21 85 | 68 68 dd 1H J 10 22 | 41 41 q 2H J 66 | 34 33 dqd 1H J 10 64 128 | 15 14 t 3H J 67 | 13 13 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc2cc(Cl)nc(S(C)(=O)=O)c21
ir: 5 6 18 15 11 19 22 95 16 71 99 8 6 9 10 7 4 5 7 3 1 6 8 18 4 8 16 9 4 6 6 2 5 8 7 3 16 24 10 41 4 7 5 1 2 7 5 1 3 7 4 0 4 13 17 20 6 11 10 0 5 8 4 6 14 23 20 35 58 42 35 13 14 13 4 2 5 6 3 6 6 5 4 6 76 11 3 1 7 7 1 2 6 6 2 3 8 9 100 34 1 14 58 74 59 39 14 15 8 7 3 4 6 4 17 15 10 9 5 12 14 18 10 8 7 11 7 15 8 2 2 5 25 24 4 5 6 3 2 6 6 2 2 7 7 6 4 6 5 3 3 8 11 1 3 6 4 1 3 54 30 1 3 6 4 1 3 6 4 0 3 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 3 2 6 5 2 4 5 5 2 4 7 7 6 4 5 4 3 4 5 5 5 5 7 22 57 22 22 38 34 9 15 9 3 6 6 3 2 4 6 3 2 5 5 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5; 1HNMR: 80 80 s 1H | 76 76 s 1H | 40 40 s 3H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2c(=O)[nH]c3nn(C4CCCC4)cc3c2=O)cc1
ir: 3 5 3 4 3 3 3 3 3 3 4 4 3 3 6 5 3 3 4 4 3 3 4 3 3 3 3 3 3 3 4 3 3 4 7 5 5 6 3 3 4 5 5 14 9 4 4 4 5 6 4 3 10 85 7 7 10 2 4 5 4 3 4 5 3 4 4 4 3 5 4 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 7 3 4 3 3 3 3 4 3 3 4 8 3 3 3 3 3 4 4 4 5 6 6 4 3 4 3 9 7 5 3 3 4 5 5 6 6 6 5 4 5 3 4 3 3 3 3 4 6 4 3 3 3 3 3 3 3 11 3 3 4 6 3 5 6 23 44 5 3 4 6 49 7 4 0 100 1 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 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 5 4 4 3 3 3 4 4 4 7 5 7 8 5 4 7 15 4 4 3 5 3 3 3 3 3 3 3 3 3 3 3 4 4 4 16 42 11 21 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; 1HNMR: 78 77 s 1H | 73 72 dt 2H J 9 85 | 68 68 m 2H | 51 50 t 2H J 9 | 46 46 pd 1H J 7 24 | 38 38 s 3H | 22 21 m 2H | 19 18 m 5H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCOc1ccc(N)cc1C
ir: 18 13 12 7 26 23 9 9 7 6 4 6 4 3 3 7 3 4 6 3 3 3 2 2 3 2 2 2 2 2 2 3 2 2 3 4 4 3 2 3 3 3 2 3 2 1 2 2 2 2 2 3 2 7 10 6 3 3 2 3 2 2 3 4 6 7 5 7 4 3 9 7 2 2 2 2 2 2 3 13 12 5 2 2 2 1 3 4 2 2 3 2 2 1 2 3 2 1 2 2 2 3 7 2 2 3 3 6 5 3 2 2 2 2 5 3 2 4 3 2 2 1 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 2 2 3 8 9 12 34 26 12 5 2 2 3 9 16 6 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 2 3 4 8 8 9 5 11 6 6 2 2 2 2 2 1 2 2 1 1 1 2 1 2 2 11 26 6 3 2 1 0 3 3 0 3 17 100 86 17 2 2 3 2 0 1 3 2 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 1 1 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; 1HNMR: 67 66 d 1H J 85 | 66 65 dd 1H J 21 85 | 65 65 d 1H J 20 | 42 42 s 2H | 42 41 t 2H J 51 | 29 29 t 2H J 51 | 21 21 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)/C=C/c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
ir: 1 3 2 3 1 6 3 1 1 4 6 5 4 7 15 41 8 11 9 6 4 2 6 5 3 5 4 9 8 4 10 3 7 8 20 15 24 13 6 3 8 10 27 25 18 28 8 4 1 5 3 3 6 12 43 15 10 10 4 1 4 2 2 0 2 1 1 5 14 19 3 2 1 5 5 3 10 7 4 4 7 22 6 3 2 2 3 2 3 3 5 20 5 2 1 1 5 16 12 13 7 28 3 2 18 8 2 1 3 2 0 2 4 13 15 11 3 2 1 3 8 2 3 3 2 8 4 13 6 8 2 7 8 9 2 5 15 3 3 3 2 1 3 8 6 4 9 27 8 41 22 4 15 24 19 16 84 75 18 7 10 11 4 5 5 1 7 4 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 3 0 2 4 3 7 6 20 22 47 31 18 5 6 3 2 2 2 1 1 2 2 2 3 5 5 28 14 9 11 6 12 25 100 29 15 6 4 5 29 27 1 4 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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; 1HNMR: 89 89 d 1H J 33 | 81 81 s 1H | 80 80 ddq 1H J 9 19 30 | 76 75 m 2H | 75 74 dddt 1H J 13 26 35 84 | 74 74 m 2H | 73 72 dd 1H J 9 159 | 72 72 dd 1H J 74 102 | 72 72 s 2H | 62 62 d 1H J 159
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)OCCOC(=O)ON1C(=O)CCC1=O
ir: 19 9 23 29 17 14 16 11 34 13 30 14 11 7 3 15 6 3 2 5 6 2 2 6 23 17 9 9 6 12 9 6 7 2 3 21 10 3 3 5 7 3 4 7 4 2 4 6 6 37 53 10 6 2 6 9 5 0 4 6 4 8 7 6 4 3 8 8 6 26 10 8 6 2 5 9 6 3 12 19 12 10 6 5 3 3 5 7 3 2 5 4 3 4 7 17 38 10 9 6 2 4 6 4 2 6 13 8 6 11 15 47 14 30 37 21 10 8 7 10 31 10 15 5 15 7 22 10 17 10 41 12 5 5 4 4 3 4 4 4 4 6 5 19 31 6 46 32 1 9 10 22 25 100 11 2 2 7 5 0 2 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 3 3 4 4 2 3 5 4 3 5 6 5 6 12 31 12 14 4 7 5 8 14 25 64 30 7 6 3 1 4 5 3 1 3 5 3 2 4 5 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1; 1HNMR: 45 44 m 4H | 28 28 s 3H | 26 25 hept 1H J 74 | 12 11 d 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C(C)C#N
ir: 1 17 29 24 4 7 9 6 9 12 9 10 10 19 31 8 4 6 8 3 5 11 6 9 11 14 8 48 48 8 7 14 15 12 5 5 2 4 3 2 3 19 5 2 2 3 3 1 2 3 3 1 2 4 2 2 8 10 3 2 3 8 5 7 19 16 8 9 7 3 16 18 19 17 13 5 6 4 2 1 3 4 2 1 8 6 2 2 3 3 1 2 4 4 2 3 4 8 12 7 7 3 4 18 9 8 6 9 8 7 11 25 6 4 4 7 6 14 19 20 9 20 15 7 9 5 4 17 13 21 24 16 9 8 3 4 6 5 7 25 30 19 10 8 6 5 32 63 31 13 7 8 34 28 17 10 5 2 3 12 6 7 8 6 3 0 2 4 2 0 2 4 2 1 2 4 2 0 2 9 10 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 2 2 3 3 1 2 3 3 1 2 3 2 2 3 5 7 9 9 5 3 2 4 4 5 5 10 9 10 35 36 22 10 13 31 39 100 20 6 8 3 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 d 1H J 51 | 68 68 m 2H | 45 44 q 1H J 63 | 39 38 s 3H | 25 24 s 3H | 17 17 d 3H J 64 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CN2CCC3(CC2)CCN(C2CCC2)C3)cc1
ir: 3 3 1 2 3 4 2 4 3 3 6 2 2 1 1 2 2 5 8 4 4 2 5 2 1 6 3 3 2 10 25 31 19 6 10 3 5 6 10 33 36 24 4 4 4 3 4 4 2 3 2 2 3 3 13 10 6 3 2 7 13 5 6 7 23 5 7 33 44 22 5 6 2 2 3 13 7 39 33 38 49 22 10 20 30 23 13 28 20 47 11 12 7 7 6 7 13 34 11 10 15 25 33 12 12 10 1 3 3 3 2 5 5 3 1 3 1 5 2 4 8 8 13 10 3 4 4 13 11 7 11 11 6 7 22 43 13 12 9 5 2 7 75 38 11 4 5 5 1 2 1 4 4 1 2 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 2 3 6 12 11 12 4 6 9 13 8 21 59 48 100 50 10 7 5 2 3 2 2 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 35 35 s 2H | 30 29 dtd 1H J 17 47 79 | 28 27 ddd 2H J 33 60 123 | 27 26 dd 2H J 33 45 | 26 25 m 2H | 26 26 s 2H | 18 17 m 6H | 17 16 dd 2H J 34 45 | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(C(=O)OC)cc1
ir: 3 4 1 2 2 2 1 2 27 16 20 25 4 2 2 5 7 2 1 2 9 1 11 6 2 8 2 2 6 2 5 2 2 2 4 3 6 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 2 4 39 58 38 100 8 4 2 2 2 2 1 1 2 2 3 7 29 4 3 0 3 8 1 2 6 2 1 1 2 2 1 1 2 3 1 2 2 2 1 1 2 2 1 2 2 2 3 5 3 1 1 1 2 2 0 1 2 1 0 2 6 24 16 10 7 4 3 6 3 2 8 31 9 4 2 2 2 1 1 2 2 1 1 2 2 1 2 5 54 39 42 4 7 14 4 3 7 2 8 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 8 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 0 1 2 2 1 2 8 4 7 38 8 29 4 3 2 3 1 2 2 1 1 2 2 1 1 0 68 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 80 m 2H | 76 76 m 2H | 39 39 s 3H | 31 31 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(C(=O)c2cc3cc(C(=O)N4CCN(C(C)C)CC4)ccc3[nH]2)CC1
ir: 7 18 14 15 18 9 6 8 15 10 3 4 6 9 5 4 4 3 7 4 4 10 7 3 4 4 11 23 9 16 45 22 10 3 14 22 8 14 30 17 13 32 20 23 9 3 4 7 5 4 4 4 3 4 18 28 22 6 5 7 15 3 5 8 3 3 15 18 40 14 5 5 4 2 5 8 6 7 5 9 4 5 8 7 13 5 14 4 6 6 9 19 10 7 4 3 5 7 7 24 24 14 0 23 10 7 10 6 7 3 8 8 7 9 17 11 5 12 15 20 20 19 10 33 100 33 4 10 15 19 14 9 22 7 6 27 8 6 7 7 9 11 4 5 7 5 9 10 71 61 11 3 28 31 10 15 3 4 4 3 23 12 3 1 4 4 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 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 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 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 4 4 5 4 6 8 6 4 4 8 6 5 4 20 31 16 12 23 22 33 22 6 5 4 4 4 4 3 4 4 2 2 3 3 2 2 4 4 3 7 7 7 9 22 79 65 16 6 7 4 3 3 2 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 97 97 s 1H | 84 83 t 1H J 18 | 77 76 dd 1H J 15 76 | 76 76 d 1H J 75 | 71 71 d 1H J 21 | 39 38 ddd 2H J 60 87 123 | 37 37 m 3H | 35 34 m 4H | 34 33 d 3H J 15 | 29 28 ddd 4H J 8 44 53 | 28 27 m 1H | 22 21 dddd 2H J 48 59 86 132 | 20 19 dddd 2H J 48 60 88 132 | 11 10 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC/C(C#CC1(O)C(C)=CC2(CC1(C)C)OC(C)C(C)O2)=C/C(=O)OCC
ir: 5 7 1 10 2 9 2 5 4 5 12 7 4 4 4 12 3 7 6 5 19 8 3 3 3 3 2 1 1 2 2 2 2 5 3 1 2 2 2 1 2 1 3 3 1 3 2 1 4 4 3 2 2 1 1 2 2 4 2 2 2 7 5 4 23 16 12 13 8 7 6 5 8 13 22 24 7 24 54 12 7 6 5 3 5 3 3 3 6 8 6 10 30 25 43 20 16 12 20 10 8 13 5 11 41 26 9 23 5 5 4 4 22 3 11 21 12 9 13 15 8 8 6 6 6 6 3 9 14 24 2 6 3 4 10 3 2 1 1 2 1 1 2 3 3 0 39 1 1 2 2 0 1 2 2 1 4 60 29 5 2 1 1 2 1 0 1 2 1 0 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 3 3 7 3 2 4 3 4 7 3 4 3 5 4 15 34 60 100 71 6 4 2 4 3 4 7 41 30 13 5 3 3 2 1 2 1 2 1 4 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 59 58 t 1H J 9 | 55 54 m 1H | 42 41 q 2H J 61 | 38 37 m 2H | 31 31 s 1H | 24 23 td 2H J 8 64 | 22 22 d 2H J 7 | 19 18 d 3H J 13 | 16 15 h 2H J 64 | 13 12 t 3H J 61 | 12 12 m 6H | 11 11 s 2H | 11 11 s 2H | 10 9 t 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(O)CP(=O)(OC)OC)ccc1OCC(=O)Nc1nc2ccccc2s1
ir: 3 4 16 6 7 7 10 12 21 8 9 8 0 5 8 4 3 2 5 2 3 3 3 45 11 16 6 2 2 7 2 6 4 3 3 7 6 2 5 3 4 6 31 18 30 7 8 1 8 27 32 71 28 11 29 29 20 5 6 7 4 2 1 5 8 5 12 65 35 81 9 6 3 14 22 13 5 7 32 10 4 17 100 7 5 33 15 9 7 43 16 22 30 25 8 9 1 4 6 3 5 2 3 4 2 7 10 6 2 2 9 5 1 1 2 4 9 4 8 4 23 14 20 6 7 11 15 21 13 6 4 3 1 1 2 2 2 13 3 3 3 11 25 7 4 5 19 15 19 18 23 56 4 4 3 2 1 2 5 7 5 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 2 2 1 1 1 2 1 2 2 2 3 3 4 6 1 4 2 1 2 3 3 7 36 14 15 97 26 27 6 3 3 94 44 93 6 3 1 1 1 1 1 1 2 3 3 2 1 2 5 17 59 12 5 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 14 70 | 77 76 dd 1H J 16 75 | 73 72 td 1H J 14 73 | 71 71 td 1H J 13 75 | 70 69 m 2H | 69 68 d 1H J 87 | 50 49 m 1H | 47 47 s 2H | 39 38 m 4H | 37 37 d 7H J 108 | 27 26 ddd 1H J 82 119 132 | 24 23 ddd 1H J 82 119 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(C=Cc2cc(Cl)cc(Cl)c2)=CC1=O
ir: 1 3 11 3 5 5 3 2 1 3 3 2 2 7 4 2 1 3 3 1 1 2 7 5 1 2 2 4 8 5 6 10 3 4 3 2 2 3 3 3 6 17 16 3 4 3 2 1 1 2 2 2 1 2 1 1 1 3 2 2 2 2 2 4 4 4 15 9 6 7 3 3 5 7 11 49 40 8 6 2 5 17 9 3 4 2 2 2 3 3 4 8 7 5 0 12 2 5 4 3 2 2 1 3 8 5 3 5 2 2 1 3 3 3 1 2 3 7 3 3 2 4 5 4 2 13 4 11 11 2 2 13 12 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 7 5 3 1 6 19 84 37 13 13 3 2 1 5 4 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 3 2 4 9 20 19 52 100 26 19 5 4 3 2 4 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 m 3H | 73 73 t 1H J 21 | 68 68 dd 1H J 13 146 | 59 59 d 1H J 13 | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)C1
ir: 1 4 3 1 4 4 9 5 4 2 2 3 6 2 8 8 3 3 3 11 6 3 8 6 3 6 6 25 8 9 26 7 3 3 1 3 5 10 15 39 14 7 3 1 2 3 3 25 8 1 1 2 1 1 1 1 1 1 1 1 1 0 2 5 8 19 8 22 11 4 4 1 3 5 3 5 4 5 9 7 6 15 8 3 1 2 0 1 15 10 2 15 8 10 6 2 3 2 2 1 1 1 1 1 1 1 8 3 1 1 1 1 1 1 1 3 1 1 2 1 2 2 2 3 5 3 3 5 7 8 19 17 10 11 21 15 9 5 10 87 18 7 14 34 22 11 7 2 3 0 4 14 12 5 3 6 8 3 10 9 1 2 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 3 7 11 2 3 5 3 2 5 7 9 21 100 29 16 14 9 10 6 2 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 66 | 79 78 d 1H J 66 | 75 74 ddd 1H J 11 21 86 | 74 73 m 7H | 70 69 ddd 1H J 13 22 81 | 51 50 t 2H J 9 | 39 38 p 1H J 55 | 31 30 dd 2H J 55 154 | 28 28 dd 2H J 55 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)c1cccc2ccccc12
ir: 13 14 9 10 13 12 12 10 22 14 16 10 9 11 9 9 13 15 11 9 11 11 8 10 10 7 7 11 15 11 9 11 12 15 13 10 9 6 12 23 21 10 16 13 12 93 69 21 30 11 11 70 10 18 46 18 57 10 10 11 12 11 11 14 22 7 17 57 21 29 12 7 10 10 12 21 15 9 10 7 8 10 8 20 10 20 10 10 8 9 8 15 11 16 15 20 12 12 13 10 7 7 10 13 15 20 26 13 30 11 15 29 16 62 0 16 44 37 45 25 16 14 10 17 16 19 26 17 15 16 18 11 17 22 9 11 12 15 10 13 7 7 7 8 8 8 12 19 31 13 12 26 25 60 17 11 11 25 9 8 14 9 7 8 10 7 7 8 7 6 7 7 7 6 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 6 6 7 7 7 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 7 7 7 7 7 7 7 8 7 8 8 8 9 13 28 18 11 17 15 12 16 10 13 16 16 9 30 87 100 51 33 76 74 33 13 11 19 9 10 5 8 9 7 7 8 7 7 7 7 8 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7; 1HNMR: 81 80 dt 1H J 9 77 | 78 78 m 2H | 77 77 d 1H J 91 | 76 75 ddd 1H J 12 71 82 | 75 75 m 1H | 74 74 t 1H J 76 | 72 71 dd 1H J 13 70 | 70 70 d 1H J 22 | 69 69 dd 1H J 22 90 | 39 38 m 5H | 24 24 s 2H | 18 17 qt 2H J 64 75 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2cnc(Nc3cc(N)c4cn[nH]c4c3)nc12
ir: 13 16 16 6 11 3 2 3 3 2 6 2 1 8 7 28 5 11 8 16 8 5 8 2 3 4 3 0 4 10 44 78 36 7 5 2 3 3 6 3 3 3 8 4 10 21 5 3 4 9 4 2 2 2 1 2 4 9 1 2 1 1 2 2 6 6 6 30 5 5 3 2 4 2 1 3 11 3 4 0 3 7 3 1 1 5 38 0 1 1 1 1 5 1 0 1 1 4 6 2 2 1 9 18 1 2 4 5 2 3 4 7 1 8 8 9 5 5 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 5 2 2 2 5 17 4 2 7 8 5 3 1 2 100 23 12 18 9 10 4 19 12 3 2 34 6 21 36 2 3 3 15 8 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 4 2 5 15 20 4 4 1 2 1 2 1 1 1 1 1 1 2 2 3 3 14 83 8 3 2 4 6 30 48 68 29 7 17 74 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 20 | 89 88 s 1H | 84 84 s 1H | 80 79 ddd 1H J 11 18 92 | 78 77 ddd 1H J 7 13 86 | 75 74 t 1H J 90 | 72 72 d 1H J 22 | 72 71 d 1H J 22 | 60 60 s 2H | 27 26 d 4H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2oc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1
ir: 2 1 1 3 2 13 3 3 0 14 5 3 5 1 2 7 1 1 2 1 2 1 14 1 1 1 2 1 2 2 10 3 1 2 2 20 4 3 21 2 2 44 2 2 2 2 2 11 67 100 1 2 2 3 3 4 1 2 1 1 3 3 2 3 2 17 1 0 1 4 1 0 1 2 1 1 4 2 1 5 1 1 1 1 1 1 3 2 2 2 1 2 2 2 2 2 4 2 5 9 4 9 8 9 2 9 26 4 3 14 5 1 3 3 0 2 2 1 2 3 2 1 1 2 2 3 9 10 2 1 1 2 3 13 5 3 3 21 2 11 6 2 16 59 5 1 1 2 19 1 1 2 1 2 45 3 3 6 2 2 1 0 1 2 1 6 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 2 3 9 31 13 7 7 5 1 2 2 2 1 2 3 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 8 48 16 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 d 1H J 25 | 81 80 dd 1H J 24 103 | 76 76 m 3H | 75 75 m 3H | 73 72 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(O)c1
ir: 4 1 2 3 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 4 1 1 1 1 1 2 3 2 1 1 2 2 4 10 2 2 1 1 2 1 1 1 2 1 1 1 1 1 2 2 2 3 7 9 3 2 2 1 1 3 1 2 3 3 2 3 3 8 8 6 11 2 1 1 2 2 1 1 2 1 1 2 1 3 4 3 1 2 2 2 1 2 2 3 6 2 2 8 2 5 5 1 2 2 4 4 5 1 2 3 2 3 3 3 2 1 2 3 2 1 2 1 1 1 1 5 5 3 4 5 4 2 1 1 1 1 3 2 1 1 4 1 1 1 1 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 3 3 1 2 3 2 3 2 2 3 4 12 6 3 23 3 2 2 2 1 2 3 100 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; 1HNMR: 74 73 ddd 1H J 11 22 79 | 72 72 m 2H | 70 69 t 1H J 22 | 68 68 ddd 1H J 11 21 84 | 42 41 t 2H J 65 | 37 36 s 2H | 25 25 t 2H J 91 | 23 22 p 2H J 54 | 21 20 m 4H | 19 19 dt 4H J 57 125 | 18 17 t 2H J 57 | 17 16 dt 4H J 57 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(O)c(F)c1
ir: 9 6 4 5 6 4 3 4 6 7 12 8 8 25 16 22 16 12 5 17 100 20 9 4 5 6 4 7 9 11 9 12 36 14 6 9 10 3 77 60 4 12 6 2 5 7 5 2 4 6 5 4 5 8 23 78 7 7 4 3 6 7 4 2 4 6 5 9 6 7 5 5 9 12 4 3 8 12 23 19 28 21 9 8 5 7 6 4 6 7 7 15 11 10 6 5 11 23 21 5 7 11 8 5 4 4 4 4 4 4 3 4 4 4 3 5 8 5 56 39 3 4 4 5 15 13 7 7 5 4 3 4 5 3 3 4 5 3 3 6 7 2 13 51 10 28 7 5 5 5 6 7 6 10 9 9 6 3 87 21 3 6 6 4 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 6 6 18 35 10 9 5 2 5 10 0 6 5 2 4 5 6 4 3 3 25 57 6 6 3 3 5 5 3 3 5 5 3 33 38 5 4 4 4 4 3 3 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 3 3 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 78 77 dd 1H J 21 121 | 75 75 dd 1H J 22 103 | 74 74 s 2H | 70 69 dd 1H J 47 102 | 60 59 d 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Cc1cc(Br)cc(C#N)c1
ir: 4 33 18 17 20 27 17 7 5 5 5 10 5 4 4 3 3 3 3 3 3 4 4 3 3 3 3 5 6 6 6 21 42 5 19 17 32 6 5 2 3 5 4 5 8 11 12 5 3 4 4 2 4 4 3 2 3 10 16 6 3 5 3 2 4 10 52 47 80 47 26 21 4 4 3 3 3 3 3 4 4 5 5 6 6 34 38 12 29 64 15 28 11 20 21 4 6 5 2 6 22 32 89 95 51 17 4 13 47 47 12 4 1 3 5 4 3 5 21 10 20 24 8 12 30 15 14 7 34 17 6 7 3 6 5 3 3 4 4 4 4 4 4 3 3 4 3 3 3 3 3 3 3 4 4 2 10 7 11 9 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 6 4 4 4 4 4 4 6 6 6 7 5 3 4 8 13 15 4 6 6 0 35 100 55 54 82 47 40 41 15 12 5 6 5 3 4 4 3 2 4 4 3 3 3 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 77 76 t 1H J 21 | 76 76 tt 1H J 9 20 | 76 75 tt 1H J 8 21 | 44 44 t 2H J 9 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nn(C)c(Br)c2c1
ir: 12 7 20 25 16 12 6 5 5 8 8 4 6 3 0 5 7 2 2 4 5 2 3 5 5 5 2 4 4 1 1 5 9 1 2 4 4 2 5 11 5 1 2 4 3 0 2 5 3 3 18 10 4 5 20 21 21 1 5 6 7 2 4 8 8 3 28 69 8 26 20 9 11 2 5 5 3 2 4 4 2 1 3 4 1 2 4 4 3 3 6 4 1 2 4 4 1 3 4 3 1 2 5 20 37 3 7 7 3 4 5 4 2 4 6 3 3 28 16 6 5 3 7 5 2 8 7 7 2 4 5 3 15 6 4 1 1 3 4 1 1 4 4 1 2 36 34 2 2 5 16 17 8 19 10 4 3 5 3 0 2 6 5 35 3 4 2 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 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 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 2 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 4 2 5 5 4 1 3 6 8 6 7 8 9 1 8 15 20 13 24 100 63 20 10 5 5 3 3 4 3 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 3 3 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 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 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 74 d 1H J 79 | 74 74 d 1H J 27 | 70 70 dd 1H J 27 77 | 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.
CC(C)(C)OC(=O)N1CCN(c2cc(F)ccn2)CC1
ir: 5 3 4 4 31 22 4 5 7 9 28 20 8 6 4 4 6 9 3 1 2 2 2 1 2 7 4 1 1 2 4 7 26 61 11 4 2 10 1 0 1 2 3 1 4 16 4 2 1 2 1 1 1 2 1 3 1 2 2 3 4 2 16 15 11 30 45 10 11 7 6 2 6 13 6 2 2 2 1 1 5 2 1 2 2 2 3 4 6 4 2 2 3 2 3 4 10 6 7 3 5 9 5 9 5 4 3 2 2 2 1 6 12 37 14 3 5 9 22 44 38 17 18 13 4 2 4 12 8 12 16 10 8 9 3 3 7 34 6 15 23 6 1 5 6 3 6 26 23 11 11 100 11 11 6 4 3 2 2 18 28 74 11 11 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 2 3 5 2 3 2 2 4 3 2 1 3 4 5 15 31 16 8 39 28 9 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 dd 1H J 49 56 | 69 68 ddd 1H J 21 55 101 | 64 63 dd 1H J 22 121 | 37 36 dd 4H J 46 59 | 35 35 dd 4H J 46 59 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(OCCc2nc(-c3ccccc3)oc2C)ccc1CCC(=O)O
ir: 2 1 0 4 5 8 9 9 5 8 6 8 21 11 4 7 10 11 9 16 81 82 38 10 15 15 6 1 2 6 12 16 8 5 3 2 5 3 5 3 16 24 5 3 1 2 1 2 2 1 2 5 4 2 8 19 10 8 4 1 2 2 1 2 1 1 4 8 19 32 13 4 4 2 5 5 9 18 90 49 8 9 7 3 3 6 5 7 1 1 1 1 2 14 6 8 6 4 3 4 2 1 1 1 5 2 2 1 1 3 2 2 2 2 6 4 4 11 13 11 3 13 7 4 7 3 3 3 4 2 2 9 8 3 3 32 12 2 2 2 1 2 3 37 22 6 2 5 1 7 5 1 4 3 10 1 1 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 2 5 4 5 3 1 1 1 6 11 17 13 22 100 35 11 5 5 3 2 1 3 80 100 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 75 74 m 3H | 70 70 dt 1H J 9 86 | 68 67 dt 1H J 8 20 | 67 67 dd 1H J 21 87 | 44 43 t 2H J 55 | 43 43 d 2H J 10 | 35 35 s 2H | 30 29 m 4H | 26 26 t 2H J 90 | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Sc1cccc(C(F)(F)F)c1
ir: 10 9 10 9 7 8 7 7 8 9 14 7 7 6 7 6 6 7 7 8 9 7 11 14 6 6 6 6 6 7 8 21 14 9 6 6 7 6 7 8 6 6 6 6 7 6 8 62 13 11 11 6 6 8 13 35 100 0 8 8 6 5 6 8 6 6 7 11 16 9 7 9 11 7 7 6 9 7 7 8 6 7 6 6 7 7 8 33 12 11 12 7 6 7 7 6 8 9 45 15 16 7 6 6 6 18 7 6 6 7 8 11 11 72 12 17 12 9 11 18 13 7 7 8 9 11 53 22 14 9 12 7 7 6 6 6 6 6 7 18 14 9 6 14 8 18 9 6 6 7 29 32 17 8 8 7 8 14 9 8 14 7 6 6 6 6 10 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 9 11 12 11 20 70 40 14 8 8 8 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 96 95 s 1H | 85 85 dq 1H J 14 27 | 82 81 d 1H J 109 | 79 78 ddq 1H J 14 27 108 | 77 77 t 1H J 22 | 76 76 dd 1H J 64 104 | 76 75 ddd 1H J 13 22 104 | 75 74 ddd 1H J 13 22 64 | 43 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2C(=O)c3c(c(C4CC4)nn3C)C2c2ccc(Cl)cc2)cn2c(C)nnc12
ir: 2 2 3 2 4 3 6 14 0 4 13 5 12 12 5 3 1 4 7 2 1 4 13 1 8 3 17 4 2 5 5 7 4 4 4 6 5 4 4 9 7 7 17 21 9 8 7 47 3 22 4 0 4 9 23 47 6 6 5 4 4 6 4 14 22 26 11 7 3 19 4 7 8 7 7 9 6 7 3 21 11 4 4 3 4 6 6 5 5 3 1 4 3 4 17 4 4 7 4 2 3 11 6 7 3 2 2 2 3 2 3 3 2 3 3 4 8 6 2 8 29 2 5 5 5 9 7 5 4 8 11 17 5 13 3 9 37 5 17 74 10 21 6 5 15 2 16 14 15 3 29 19 20 3 2 3 3 15 12 29 5 4 1 4 3 29 6 5 2 1 2 3 1 0 1 3 2 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 1 1 3 3 3 2 4 4 4 4 10 10 7 10 18 26 100 21 28 13 35 6 7 4 4 2 4 1 0 2 2 1 0 2 2 1 1 2 2 1 1 1 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 89 89 d 1H J 13 | 82 82 p 1H J 14 | 74 73 m 2H | 73 73 m 2H | 62 62 d 1H J 9 | 38 38 s 2H | 27 27 s 2H | 25 24 d 3H J 13 | 22 22 p 1H J 51 | 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.
CC[C@@H](CO)Nc1nc(-c2cc(Cl)cc(OC)c2)c2c(N)c(C(N)=O)sc2n1
ir: 2 4 7 4 2 1 3 2 1 4 2 3 5 9 17 10 6 30 6 4 2 6 4 8 5 4 2 1 3 3 2 6 2 2 1 3 1 4 2 2 2 7 12 16 4 3 2 5 3 2 2 4 4 12 17 5 4 1 6 2 1 3 2 1 2 2 2 5 4 1 2 2 2 2 2 2 1 1 1 2 1 2 5 2 3 4 13 12 4 6 10 2 1 2 2 2 3 2 1 2 1 2 1 1 3 2 1 1 2 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 3 1 2 13 17 3 2 1 0 1 1 0 1 7 3 0 6 2 3 2 4 2 3 5 13 100 16 10 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 11 6 2 4 2 6 4 12 17 14 13 1 1 1 1 1 1 3 36 2 1 1 1 1 2 5 13 3 3 4 13 33 13 15 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; 1HNMR: 75 75 s 2H | 73 73 t 1H J 22 | 73 73 t 1H J 22 | 73 72 s 2H | 69 69 t 1H J 22 | 62 61 d 1H J 81 | 39 38 m 3H | 38 38 s 2H | 36 36 m 1H | 18 17 m 1H | 16 15 ddt 1H J 65 124 130 | 9 9 td 3H J 13 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21
ir: 5 3 3 2 2 2 2 2 2 3 4 15 16 9 7 6 4 13 16 10 31 60 47 6 6 3 5 6 2 3 3 2 2 2 2 2 2 3 3 2 2 2 2 3 4 5 9 3 71 13 5 2 2 3 2 1 3 4 2 2 2 3 2 3 2 6 12 9 9 4 3 2 4 6 12 5 14 50 7 8 4 2 3 4 3 5 2 5 7 5 3 5 2 2 2 2 2 3 2 2 2 2 2 2 2 7 3 3 3 5 1 3 2 2 1 2 3 4 4 7 2 2 4 4 6 17 4 2 2 4 3 2 5 2 2 2 2 2 2 7 6 2 2 7 3 2 1 2 5 0 56 3 4 10 5 3 3 2 2 2 2 2 6 3 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 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 3 2 2 9 7 5 3 6 4 3 3 2 26 100 44 14 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 90 90 s 1H | 82 81 dd 1H J 48 121 | 28 27 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4nccs4)cc3F)c2c1C
ir: 1 1 1 2 3 3 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 6 6 1 1 1 2 1 3 4 3 1 1 1 2 1 1 2 1 1 2 1 3 22 1 2 7 17 2 3 2 1 6 1 1 1 1 1 2 6 3 1 3 6 5 1 3 3 2 5 11 10 1 1 1 1 1 5 2 3 2 1 1 1 1 2 3 13 2 2 1 2 7 9 2 2 3 7 8 7 0 7 2 2 0 3 5 5 3 6 0 9 2 11 5 2 2 1 3 4 42 9 5 0 12 5 2 2 3 2 1 1 0 1 1 0 0 19 3 2 2 1 1 3 5 7 1 0 2 17 1 1 0 1 1 5 1 1 1 1 1 0 1 1 3 1 1 1 1 1 6 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 3 1 2 2 1 1 3 3 2 2 4 2 2 2 6 14 8 41 100 19 20 3 4 1 1 1 0 1 1 0 1 1 2 1 1 1 1 1 3 8 4 3 4 4 5 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 38 | 87 86 s 1H | 76 75 s 1H | 75 74 d 1H J 44 | 74 73 dd 1H J 48 97 | 73 72 dd 1H J 21 97 | 72 71 d 1H J 46 | 71 70 dd 1H J 22 122 | 43 43 q 2H J 64 | 27 26 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCON1C(=O)c2ccccc2C1=O
ir: 1 1 1 1 1 1 1 0 1 1 1 1 1 4 3 2 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 3 7 2 2 6 100 7 3 1 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 1 5 3 4 1 3 2 1 1 1 2 1 1 3 3 2 1 1 1 1 0 1 2 10 2 3 6 2 1 1 2 3 1 2 5 5 2 1 1 1 3 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 2 1 0 1 2 6 14 5 29 4 3 1 1 4 7 1 0 1 0 0 0 1 0 0 0 1 0 0 2 2 43 11 8 1 0 21 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 1 1 1 2 2 2 2 25 10 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 40 40 t 2H J 39 | 29 28 t 2H J 39 | 28 27 q 4H J 69 | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)C(=O)c2ccc3nsnc3c2)n1
ir: 7 6 4 5 8 15 8 10 39 13 5 6 8 11 3 6 5 5 2 4 5 3 10 8 10 4 4 9 16 31 53 13 7 10 21 21 35 6 22 5 11 14 9 14 10 36 25 18 14 6 6 3 5 5 16 4 26 6 4 3 12 13 4 3 17 23 21 12 18 31 36 4 5 4 6 15 42 9 4 3 14 11 6 3 3 3 2 3 2 3 3 3 10 6 5 3 7 12 8 5 3 3 3 3 2 6 23 15 3 4 3 3 13 9 4 4 6 6 6 7 5 5 9 8 9 15 7 16 3 4 6 3 3 18 30 61 100 20 15 21 21 22 27 42 7 0 14 6 6 3 4 13 9 3 9 68 66 24 7 3 3 5 3 2 2 3 2 2 2 3 2 1 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 2 2 2 2 2 2 3 3 3 3 2 3 3 3 4 4 4 5 6 9 12 9 12 45 42 35 21 12 11 7 8 5 3 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 86 85 d 1H J 21 | 83 83 dd 1H J 21 81 | 83 82 d 1H J 81 | 80 79 m 1H | 80 79 dd 1H J 18 77 | 74 74 ddq 1H J 8 15 70 | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)c(-c2ccc(Cl)nn2)c1
ir: 0 1 1 1 0 1 1 1 5 1 1 1 1 1 1 3 1 1 1 0 0 1 1 0 0 2 0 1 1 0 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 2 1 3 1 0 1 9 100 35 79 0 1 3 1 1 1 1 1 0 1 1 1 3 3 2 1 4 3 11 2 0 1 1 1 0 1 1 1 0 1 1 2 1 1 2 2 1 1 2 1 2 12 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 3 3 1 23 14 0 1 1 0 0 1 1 2 1 1 1 1 1 10 7 0 1 13 30 9 2 2 2 2 2 2 5 2 1 1 1 4 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 2 1 1 1 2 4 2 31 56 19 18 8 2 1 3 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 d 1H J 80 | 76 76 m 2H | 74 74 d 1H J 70 | 72 71 m 1H | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CNCc1ccc(F)cc1
ir: 6 5 4 4 4 11 4 5 16 8 6 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 5 4 2 0 2 2 6 9 12 11 3 3 6 9 12 10 5 9 3 6 18 22 35 24 18 9 10 12 6 19 30 37 21 5 5 3 2 1 1 1 1 2 3 0 1 1 0 0 1 1 0 6 1 2 0 1 1 2 2 4 2 4 10 11 10 9 4 4 3 2 1 1 1 2 1 2 3 4 7 22 56 35 12 9 20 14 11 14 38 18 12 5 3 4 9 12 4 3 7 4 7 3 2 2 2 1 2 4 6 18 22 18 17 22 17 2 2 9 5 10 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 2 2 1 2 2 2 2 2 1 1 2 5 6 2 7 23 44 22 36 6 6 7 5 3 3 1 2 3 2 2 1 3 4 6 7 25 100 76 23 3 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddt 2H J 9 35 78 | 71 70 m 2H | 41 40 dt 2H J 9 58 | 37 36 m 1H | 37 37 s 3H | 36 35 d 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(-c2cccc(C)n2)cc1Cl
ir: 3 3 1 4 3 5 1 2 3 1 1 2 2 1 1 1 2 1 2 2 2 1 1 3 5 2 3 4 3 1 1 5 5 2 2 2 2 0 1 3 2 0 1 5 9 44 77 12 3 5 3 1 3 4 6 16 5 5 2 3 3 2 3 11 7 3 3 6 5 1 2 2 2 1 2 4 3 2 2 8 16 2 3 2 1 1 1 2 2 3 5 5 5 8 5 4 3 2 4 3 4 6 5 2 1 1 2 1 1 1 2 1 2 2 3 2 1 3 3 4 6 6 4 2 2 4 5 2 3 4 4 9 2 5 5 2 7 58 100 4 7 3 4 8 12 19 8 7 12 15 6 3 3 4 6 18 11 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 1 1 1 1 1 2 2 2 2 2 4 3 4 2 2 2 2 2 5 7 10 3 17 19 34 15 10 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 76 75 m 2H | 74 73 dt 1H J 9 86 | 71 70 m 1H | 37 37 d 2H J 10 | 37 36 s 2H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(S)CC(=O)OCCOC(=O)CC(C)S
ir: 13 10 10 4 17 6 1 3 3 2 7 6 2 8 9 20 7 4 4 2 1 2 1 2 5 8 12 6 9 7 5 1 3 3 2 12 4 2 2 1 5 6 19 27 26 47 30 18 5 3 4 6 6 7 4 1 2 4 4 2 1 1 1 0 2 2 7 9 16 10 11 10 2 2 1 1 7 2 2 1 1 1 1 0 1 1 0 0 1 1 1 2 9 2 2 3 4 2 2 5 5 11 6 30 14 24 26 24 14 8 5 4 2 2 8 3 7 7 11 7 23 6 5 6 5 7 5 4 5 5 8 18 12 14 6 7 2 1 1 1 3 2 8 66 100 37 10 5 1 2 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 2 1 1 2 1 1 0 1 1 0 1 1 2 1 1 1 1 1 2 2 7 75 11 6 3 1 0 1 2 1 1 1 1 1 0 1 2 1 1 2 6 1 2 6 9 12 3 3 7 10 12 7 8 11 36 6 2 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 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 1; 1HNMR: 44 43 s 4H | 31 30 hept 2H J 63 | 27 26 dd 2H J 65 151 | 25 24 dd 2H J 65 151 | 20 20 d 2H J 66 | 13 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(CNC(=O)c2c(N)ncnc2Cl)c1
ir: 1 4 2 9 5 5 7 3 2 2 1 3 2 4 2 2 6 12 9 3 4 4 7 14 13 5 5 2 3 2 5 3 8 5 3 1 2 2 2 4 9 5 5 22 61 28 12 12 3 4 3 2 3 1 3 1 1 1 1 0 1 1 1 1 1 1 1 3 2 2 4 5 4 5 0 0 1 2 3 3 1 1 1 0 1 1 4 1 1 4 7 3 1 2 1 0 3 9 6 2 1 0 0 1 0 1 1 2 5 1 1 1 0 1 17 24 1 1 1 2 3 1 1 2 2 2 2 2 2 1 1 1 0 0 1 1 0 1 5 2 13 2 1 4 4 3 2 11 11 19 9 22 37 53 13 11 48 40 4 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 1 1 1 0 0 0 0 1 1 2 1 1 4 24 17 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 24 23 16 2 1 5 7 4 15 7 3 1 9 100 24 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 81 81 t 1H J 56 | 73 72 m 1H | 73 72 s 2H | 72 71 dtd 1H J 9 19 79 | 69 69 td 1H J 10 21 | 68 68 ddd 1H J 13 22 73 | 44 44 dt 2H J 9 57 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(CC(=O)C(=O)O)cc1
ir: 2 3 6 3 1 2 3 3 1 2 2 2 2 3 6 15 24 32 22 25 45 17 16 7 22 13 3 1 2 2 2 2 2 4 5 3 3 2 2 1 1 3 3 1 1 2 1 1 1 2 2 1 1 2 2 1 5 6 5 2 2 2 1 1 1 2 1 1 2 3 3 1 2 3 4 1 10 11 9 15 23 23 13 7 12 21 6 3 3 2 1 1 2 2 1 4 4 2 1 1 1 1 1 1 2 2 1 1 2 2 5 2 2 1 0 1 2 1 1 2 3 2 1 2 3 5 6 3 6 2 6 26 53 20 16 2 1 2 2 2 2 1 1 2 2 8 21 3 2 5 2 1 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 1 1 2 8 3 4 14 23 7 3 2 4 4 2 3 4 94 100 5 3 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 96 s 1H | 76 76 m 2H | 74 74 dt 2H J 9 82 | 39 39 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)ncc2Cl)CC1
ir: 10 5 2 12 4 8 2 21 6 12 19 14 20 29 2 9 7 5 7 21 9 8 9 4 3 2 1 3 3 2 3 6 10 5 13 5 11 67 5 13 25 12 22 9 3 5 7 5 3 2 2 3 3 9 5 12 20 7 4 3 2 3 5 1 9 24 3 4 3 2 2 2 2 2 2 2 2 2 2 1 3 4 5 15 62 4 72 5 3 8 3 3 1 1 3 4 2 5 5 3 4 13 4 3 4 9 13 17 4 4 5 4 5 12 15 9 4 7 5 11 21 11 20 18 4 18 23 11 7 13 17 13 5 22 6 18 5 7 6 0 1 7 7 51 100 30 0 6 11 6 16 71 9 2 6 25 6 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 2 2 2 4 3 2 3 4 8 2 3 8 6 6 7 33 38 3 13 49 7 9 3 0 2 3 2 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 1 1; 1HNMR: 82 81 m 2H | 81 81 s 1H | 80 79 m 2H | 37 37 ddd 2H J 59 86 124 | 36 34 m 4H | 33 32 s 3H | 28 27 p 1H J 55 | 23 22 ddt 2H J 57 86 126 | 20 19 ddt 2H J 57 86 127 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2F)c(C2=CCCC2(C)C)c1
ir: 3 3 5 12 19 4 5 2 5 4 3 3 4 2 2 2 2 2 3 5 2 2 4 6 19 13 2 2 3 1 2 2 2 3 4 3 5 7 2 2 2 1 1 3 2 1 2 3 2 0 1 3 2 0 34 78 4 5 4 2 4 5 3 4 8 15 9 11 8 14 4 5 7 9 2 2 2 2 2 1 2 4 2 1 3 2 1 3 11 4 2 2 3 3 6 6 3 3 11 14 4 5 10 2 1 1 3 3 2 3 5 4 74 27 1 13 29 12 16 7 9 5 6 9 14 19 8 25 8 2 2 5 2 2 1 1 2 4 10 8 4 5 4 3 5 61 16 8 12 29 7 4 4 2 2 1 2 1 1 1 2 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 4 1 2 2 2 2 5 10 20 11 19 100 39 13 5 6 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 ddq 1H J 13 25 37 | 80 79 m 1H | 80 79 s 1H | 77 77 dddq 1H J 13 25 37 72 | 77 76 ddt 1H J 9 21 82 | 73 72 dd 1H J 71 102 | 60 59 tt 1H J 9 44 | 39 39 s 3H | 23 22 tdd 2H J 10 43 51 | 17 16 td 2H J 9 51 | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3cccnc32)cn1
ir: 2 2 3 4 2 4 1 3 3 25 17 3 0 3 4 1 1 2 2 1 1 4 1 1 1 2 3 5 1 3 2 6 6 7 6 4 5 40 18 52 12 10 21 22 8 16 10 26 49 32 6 6 39 52 58 15 4 0 2 3 2 4 6 4 1 3 4 5 15 4 10 2 2 1 4 1 5 8 4 4 3 7 1 1 5 6 9 6 6 8 6 8 5 3 10 2 1 2 2 12 4 4 3 3 4 1 1 3 2 1 0 1 5 3 15 4 3 4 5 3 33 10 11 11 11 3 2 4 4 3 1 3 4 5 6 47 18 8 37 2 3 2 1 1 2 9 20 58 76 29 13 37 32 9 6 79 3 1 1 4 7 8 31 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 6 8 6 39 49 15 7 1 3 2 0 0 1 2 1 0 1 1 1 0 1 3 1 1 2 9 12 15 37 100 11 18 18 5 3 2 1 1 1 1 1 1 1 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 s 1H | 89 89 d 1H J 19 | 85 85 dd 1H J 21 45 | 82 81 dd 1H J 20 79 | 81 80 dd 1H J 18 84 | 77 76 dd 1H J 27 121 | 75 75 t 1H J 9 | 74 73 m 2H | 72 72 d 1H J 84 | 71 70 ddd 1H J 26 88 101 | 45 44 t 2H J 76 | 31 31 td 2H J 9 75 | 25 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(O)c(C(C)C)n[nH]c1=O
ir: 2 3 4 3 3 3 1 4 3 4 3 1 1 2 1 1 1 2 6 2 1 1 1 1 1 1 1 1 2 0 1 1 0 0 1 2 9 2 2 12 15 25 16 4 1 3 3 2 2 2 2 11 89 100 11 3 2 1 1 2 1 0 2 4 1 1 1 1 1 1 1 2 2 2 3 3 3 1 1 0 1 1 0 1 0 0 1 0 1 3 4 2 2 3 18 6 2 1 1 14 16 20 4 1 0 2 2 1 1 2 9 5 9 2 3 2 3 3 3 1 3 2 3 8 9 3 2 2 1 2 3 2 8 19 1 0 1 2 2 1 0 1 2 39 21 1 0 1 4 3 1 10 17 3 0 1 0 0 0 1 1 0 3 7 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 6 2 2 2 11 26 17 6 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 14 23 13 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 43 42 q 2H J 71 | 33 32 p 1H J 66 | 13 12 t 3H J 71 | 12 11 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@H]1O[C@@](O)(Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1F
ir: 7 8 5 4 5 4 3 4 4 3 12 8 6 6 10 7 3 4 10 8 21 12 17 8 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 6 3 2 2 2 1 2 2 3 3 6 3 3 3 2 3 2 2 2 2 3 5 6 10 8 11 18 5 6 5 7 4 8 19 7 7 5 4 3 3 2 3 2 3 5 4 5 17 22 6 4 3 8 2 6 3 4 48 10 29 33 9 9 11 4 3 3 3 4 4 4 3 5 2 4 3 3 5 6 9 24 17 16 20 21 20 6 5 3 4 4 2 1 2 2 1 1 2 2 2 1 3 4 0 100 13 0 3 3 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 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 1 1 2 2 2 3 3 4 4 3 4 6 5 4 5 5 8 9 3 10 17 10 8 5 2 3 4 4 2 3 5 3 34 14 2 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 54 53 m 2H | 50 49 td 0H J 28 67 | 49 48 m 1H | 45 44 m 2H | 43 42 m 1H | 42 42 s 1H | 21 21 s 2H | 21 20 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1
ir: 14 21 16 6 6 8 5 3 9 15 11 13 6 7 9 4 9 6 12 15 5 5 4 4 11 6 17 23 12 18 5 8 2 6 7 3 2 24 7 2 2 2 1 1 1 2 1 0 2 3 3 0 3 8 8 52 9 11 5 7 2 6 5 2 2 2 1 1 1 4 4 4 2 1 2 3 2 2 2 5 2 2 1 0 1 1 1 1 4 2 1 7 4 5 2 2 5 8 6 6 3 3 1 2 2 6 4 4 3 10 5 27 11 9 4 7 24 13 9 14 9 28 10 12 11 8 10 12 17 20 11 24 6 3 1 3 3 2 1 3 6 7 40 100 69 28 43 15 14 44 22 17 7 4 3 2 2 3 2 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 4 4 3 2 3 4 5 4 4 10 9 10 30 24 7 54 30 5 6 2 2 2 2 1 2 4 2 1 2 2 1 1 1 1 1 2 1 2 11 57 52 7 11 4 3 2 2 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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; 1HNMR: 79 79 m 2H | 74 73 m 2H | 60 60 d 1H J 81 | 51 50 m 1H | 39 39 s 2H | 30 29 dd 1H J 60 172 | 28 27 dd 1H J 61 173 | 14 14 d 18H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CN(CCO)[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
ir: 18 20 21 37 32 12 15 27 24 24 30 16 16 16 4 7 12 6 7 9 8 16 11 5 4 5 5 4 8 11 13 13 20 27 16 43 13 39 14 15 25 10 32 9 5 7 4 8 8 2 4 7 9 7 9 9 7 9 11 10 18 6 8 7 5 4 6 5 8 10 6 5 7 17 5 9 8 9 13 10 7 35 17 0 14 15 43 78 21 31 28 16 10 14 7 6 14 12 26 8 9 20 14 9 10 19 8 18 10 11 7 7 14 40 7 5 5 8 26 15 6 8 19 12 4 8 6 14 9 28 16 19 16 7 11 19 8 3 2 5 3 6 57 23 74 47 75 16 9 3 3 3 7 2 2 1 1 2 2 5 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 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 2 1 1 2 2 1 2 1 2 1 1 1 2 1 2 2 1 2 2 2 2 2 2 2 3 3 8 5 6 2 7 6 9 6 4 9 6 9 16 32 44 82 27 100 25 27 7 4 3 2 32 93 12 3 2 3 1 2 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 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; 1HNMR: 73 72 m 5H | 37 36 m 3H | 36 35 d 1H J 143 | 34 34 d 1H J 145 | 31 30 ddt 1H J 8 77 129 | 30 29 dt 1H J 59 130 | 28 27 m 3H | 14 14 d 18H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc(-c3c(Cl)ncc4ccc(Cl)nc34)cc2)cn1
ir: 2 1 1 1 1 1 1 2 10 7 2 2 2 8 3 1 2 14 2 1 2 13 6 5 2 1 1 1 1 2 0 1 1 0 2 1 4 0 0 1 1 0 0 1 1 0 0 2 1 2 35 85 7 4 7 25 24 2 3 1 1 2 1 0 13 5 7 4 3 3 1 1 1 1 1 15 1 1 1 1 0 0 1 1 4 0 1 8 16 15 15 2 2 1 0 0 2 1 1 5 3 1 0 1 1 1 0 2 0 1 1 1 1 1 2 3 54 4 0 1 4 6 1 1 1 1 1 2 8 6 2 0 7 2 1 1 1 6 1 1 0 5 67 8 3 1 14 13 5 4 26 10 6 6 79 15 7 63 15 0 1 1 1 1 1 100 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 12 31 80 14 9 16 6 5 5 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 d 1H J 20 | 82 82 dd 1H J 18 84 | 79 79 s 1H | 78 78 m 2H | 78 78 s 1H | 77 77 m 2H | 74 74 d 1H J 86 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2c(C3=C(c4cccc5ccn(C)c45)C(=O)NC3=O)c[nH]c2c1
ir: 6 8 11 4 0 4 6 9 2 2 4 2 1 7 6 2 4 4 11 8 3 6 13 2 3 5 9 20 8 5 6 50 9 9 8 2 3 3 3 1 2 6 16 1 2 16 41 51 100 71 20 5 7 5 12 7 12 14 4 1 3 3 2 6 8 10 29 6 6 16 10 3 7 5 8 8 6 12 4 1 2 3 2 2 2 3 1 1 3 3 2 2 5 3 2 2 5 6 4 5 4 2 1 2 7 23 3 11 4 7 28 8 10 27 3 4 6 2 9 8 9 5 2 3 4 4 2 2 5 1 1 2 3 1 2 3 4 8 14 28 7 6 2 9 7 3 2 6 4 2 7 6 12 13 7 7 15 3 2 20 76 39 33 7 17 3 2 2 2 1 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 0 1 3 2 0 2 4 5 3 6 19 19 8 45 12 20 17 10 5 5 6 2 3 2 1 2 2 1 2 2 3 2 1 3 4 4 74 43 26 24 5 3 3 1 2 2 2 1 1 2 2 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 d 1H J 70 | 77 77 dt 1H J 9 72 | 77 76 d 1H J 84 | 76 76 t 1H J 70 | 76 75 m 1H | 73 72 m 1H | 70 70 d 1H J 22 | 68 68 dd 1H J 22 84 | 65 65 m 1H | 41 40 q 2H J 67 | 38 37 s 3H | 15 14 t 4H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)O)c(C)c2cc[nH]c12
ir: 1 1 2 1 0 1 1 2 1 1 2 3 2 3 3 5 5 3 5 3 3 2 10 100 24 5 10 5 3 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 2 3 1 1 1 1 1 1 1 3 2 2 1 1 2 3 1 1 2 15 12 1 1 1 5 4 2 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 1 4 5 1 1 1 1 1 1 1 2 1 1 1 1 7 1 1 1 1 1 1 3 18 5 2 2 8 8 6 6 4 1 1 1 1 1 6 3 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 1 1 1 1 1 2 2 2 1 8 3 5 2 3 4 1 1 3 8 89 2 0 1 1 1 0 1 1 1 1 2 1 1 1 2 10 15 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 d 1H J 68 | 75 75 s 1H | 71 70 dd 1H J 36 67 | 67 67 d 1H J 35 | 40 40 s 3H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(c2nc3ccc(N)cn3n2)C1
ir: 4 3 1 5 5 8 6 3 3 1 5 3 4 2 1 3 3 2 2 5 4 3 2 3 3 1 1 2 2 1 1 2 4 2 1 4 8 1 8 13 4 1 4 2 3 1 2 1 3 4 3 2 5 9 3 10 4 2 4 5 3 4 5 2 2 2 5 6 6 7 10 7 15 17 6 7 3 1 1 4 3 7 4 2 1 2 2 1 2 3 5 5 2 4 4 5 5 2 2 2 2 6 8 4 5 12 4 8 23 4 4 6 9 6 28 13 4 5 18 8 5 6 14 14 6 8 6 3 5 2 3 3 1 1 2 1 1 2 5 8 1 1 1 1 1 1 2 2 2 3 4 7 25 8 2 1 1 2 1 0 1 1 1 0 1 2 1 2 1 1 1 0 2 34 2 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 0 0 1 2 1 0 1 2 1 1 2 1 1 3 2 3 4 7 9 10 3 6 6 5 8 7 18 100 17 19 39 16 6 6 3 4 4 2 2 2 2 3 1 2 3 13 19 2 2 1 2 2 3 36 4 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 17 | 79 78 d 1H J 90 | 67 66 dd 1H J 14 90 | 48 48 s 2H | 40 39 m 3H | 38 37 m 2H | 33 32 d 3H J 14 | 23 22 dddd 1H J 36 63 82 128 | 20 19 dddd 1H J 34 62 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCNC(=O)c1cccc(-c2cccc3cc(Cc4ccc(F)c(Cl)c4)sc23)c1
ir: 1 2 3 3 0 3 5 3 1 2 4 2 1 2 2 1 1 2 4 3 2 17 8 6 2 3 2 2 2 2 2 1 3 4 7 7 7 11 30 48 28 7 4 2 7 5 9 10 9 7 10 2 8 6 6 3 5 4 2 1 2 3 2 4 2 2 3 9 4 5 5 2 3 2 1 1 2 2 1 1 2 4 8 6 3 9 3 2 2 3 1 2 4 2 3 1 3 2 5 5 3 2 0 1 3 2 21 4 3 5 7 8 5 3 3 3 2 2 2 4 6 5 1 4 10 2 3 3 12 8 2 6 3 1 1 3 3 2 8 21 12 2 8 5 9 26 13 23 10 8 5 2 4 3 3 3 2 3 3 10 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 9 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 2 1 3 3 4 15 8 7 11 100 26 28 7 3 3 2 2 2 2 2 1 1 2 3 3 2 2 3 2 2 2 4 16 16 14 10 5 2 3 2 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 t 1H J 22 | 81 80 d 1H J 74 | 79 78 ddd 1H J 12 22 79 | 78 77 m 3H | 76 76 ddd 1H J 12 21 77 | 75 75 t 1H J 75 | 73 72 dq 1H J 6 22 | 72 71 dddd 1H J 10 20 37 77 | 71 70 m 2H | 43 43 q 2H J 8 | 36 35 td 2H J 37 45 | 27 26 t 2H J 45
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC2CCN(CCOC(C)(C)C)CC2)c2c(=O)[nH]cnc2c1
ir: 1 2 2 5 9 2 3 4 1 2 3 2 1 4 5 4 3 2 2 1 2 4 2 2 1 3 1 1 1 1 2 1 1 2 9 9 28 1 1 2 3 0 1 2 1 1 8 10 3 5 7 21 2 3 3 2 2 7 3 1 1 4 2 1 4 1 10 27 10 15 6 5 6 4 2 5 2 2 2 3 11 4 3 2 1 1 2 10 9 3 1 2 1 2 2 3 3 4 45 13 4 6 6 2 2 2 3 1 2 2 3 1 2 6 4 3 2 2 2 3 2 4 2 2 4 3 4 8 5 30 3 1 1 1 2 2 2 2 1 3 2 13 11 4 1 3 2 3 2 2 2 3 1 1 1 1 5 4 1 3 6 83 11 39 10 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 2 1 2 2 3 1 3 2 1 1 2 3 8 14 7 7 21 41 3 3 2 1 0 1 1 1 1 1 1 1 2 1 1 1 1 0 1 3 4 16 100 9 6 5 4 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 71 | 66 65 d 1H J 22 | 65 65 d 1H J 22 | 45 44 p 1H J 45 | 38 38 s 3H | 36 35 t 2H J 59 | 30 29 ddd 2H J 57 84 121 | 28 27 ddd 2H J 57 84 121 | 27 26 t 2H J 59 | 22 21 dddd 2H J 45 56 82 128 | 19 18 dddd 2H J 44 57 84 128 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cc(C2CC2)c2cccnc2c1
ir: 5 3 1 3 5 4 2 3 5 3 1 3 5 2 2 3 5 2 1 5 7 2 82 5 15 8 3 4 4 2 3 15 18 3 3 4 12 12 4 25 33 6 3 5 4 1 3 6 5 4 6 7 8 1 3 5 3 1 4 5 3 2 9 100 33 0 28 46 23 13 8 6 3 2 5 8 2 2 4 5 2 2 5 8 8 3 9 26 32 4 5 5 7 3 5 4 2 7 11 7 2 3 5 4 9 12 6 4 3 3 9 5 2 3 5 3 1 3 4 3 2 3 4 3 5 34 8 4 2 4 5 11 9 6 5 3 3 5 6 6 32 12 6 3 3 5 4 4 6 7 7 4 23 38 15 30 9 24 20 6 4 6 20 2 32 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 4 2 3 5 3 1 3 5 7 8 8 9 6 6 34 90 28 19 14 15 6 4 4 4 3 3 4 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 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 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 89 88 dd 1H J 21 41 | 83 83 dd 1H J 20 81 | 79 79 d 1H J 23 | 75 75 dd 1H J 41 80 | 74 74 dd 1H J 7 22 | 32 31 pd 1H J 7 57 | 14 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.
CN1C(C)(C)CC(O)C(CC2CCCCC2)C1(C)C
ir: 3 4 2 8 3 4 0 1 5 3 5 2 6 10 4 6 11 6 22 14 2 6 2 4 32 9 3 7 1 2 1 1 1 2 2 3 2 2 1 1 2 4 2 3 8 11 4 2 2 4 9 1 3 2 7 11 3 3 7 6 6 2 4 5 4 5 7 6 5 3 3 10 10 8 20 15 6 10 24 7 24 20 8 13 19 34 18 15 100 76 52 15 9 29 12 7 5 8 4 5 7 3 2 6 9 16 9 7 9 6 19 4 16 34 24 15 16 9 12 11 10 12 17 29 10 8 2 8 8 3 3 8 16 15 15 13 29 15 5 5 1 2 2 1 1 1 1 1 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 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 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 0 0 0 0 0 1 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 4 6 15 8 5 6 4 8 10 7 7 9 7 13 10 56 20 9 7 5 3 4 3 4 9 20 81 17 7 4 4 2 1 2 2 3 2 1 2 2 1 2 2 2 2 1 1 1 1 1 2 1 1 1 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 41 40 m 1H | 25 24 d 1H J 35 | 23 22 s 2H | 18 17 m 2H | 16 16 m 1H | 16 15 m 1H | 15 15 m 1H | 15 14 m 5H | 15 14 m 1H | 14 13 m 2H | 14 13 ddd 1H J 13 33 61 | 13 13 m 1H | 13 13 s 2H | 13 11 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)cc(C)c1Nc1nc2c(Cl)ccc(C(=C(C)C)C(C)C)c2n1C
ir: 2 2 2 2 2 2 3 4 3 6 6 9 4 4 3 3 6 7 8 8 10 9 21 15 7 6 4 9 21 23 11 8 4 2 2 2 4 11 2 3 2 0 1 2 2 0 5 4 2 0 1 5 11 7 17 7 6 0 2 3 2 2 3 3 6 7 5 8 3 2 4 6 4 4 3 6 4 1 2 3 1 1 2 3 1 3 3 2 3 3 2 3 1 1 2 2 0 1 2 4 15 5 3 3 2 3 3 3 2 1 3 2 2 2 3 1 2 4 12 8 4 6 3 4 3 4 4 5 6 3 3 4 10 4 2 4 25 3 2 1 0 2 10 38 5 4 4 12 6 3 11 2 12 32 7 15 22 4 5 1 1 5 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 1 0 1 1 1 1 2 3 3 1 2 2 1 2 2 3 4 3 5 11 13 3 17 60 9 11 5 6 3 1 2 3 2 1 2 2 1 1 2 2 1 1 3 2 3 2 6 100 49 10 4 8 4 3 3 3 2 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 d 1H J 92 | 71 71 d 1H J 92 | 70 69 d 1H J 24 | 68 68 d 1H J 22 | 64 64 s 1H | 39 39 s 3H | 38 37 s 3H | 35 34 m 1H | 24 24 s 3H | 18 18 p 3H J 12 | 17 16 p 3H J 12 | 11 11 d 7H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(CO)cc(OCC(C)C)c1
ir: 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 3 1 1 1 1 4 6 2 5 6 0 2 2 1 2 1 1 1 0 0 1 1 2 3 5 5 33 3 2 1 4 2 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 0 0 1 1 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 2 10 4 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 2 3 2 3 3 6 2 2 3 3 1 16 17 4 2 2 1 4 4 8 100 55 2 1 1 1 1 0 0 0 0 1 1 1 1 1 3 4 3 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 66 m 2H | 64 63 t 1H J 24 | 46 46 dt 2H J 9 57 | 41 41 q 2H J 67 | 39 38 d 2H J 51 | 33 33 t 1H J 56 | 20 19 dtt 1H J 51 72 143 | 15 14 t 3H J 67 | 10 10 d 5H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCC=C(C)C
ir: 4 21 31 13 5 11 13 4 3 3 3 2 1 3 8 7 3 2 2 1 0 4 3 6 2 6 19 12 3 2 2 2 1 2 2 2 2 7 5 7 14 6 7 5 4 3 4 2 2 2 2 2 3 3 2 1 3 4 2 1 9 22 18 13 15 12 17 14 7 4 8 4 3 4 9 18 13 11 3 2 2 2 1 1 1 1 1 1 1 2 0 0 2 2 4 12 14 26 14 16 16 32 3 12 2 5 8 3 8 9 23 58 8 32 34 31 56 28 25 87 27 27 18 26 31 7 4 5 6 8 1 4 3 7 8 34 19 18 7 3 6 6 21 67 46 19 10 4 4 1 1 2 2 0 1 2 5 7 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 2 2 1 1 2 2 1 3 5 6 9 7 14 18 14 11 6 11 3 12 14 13 32 96 100 63 23 6 3 4 1 3 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 51 51 dddt 1H J 12 24 51 75 | 37 36 s 2H | 24 23 t 2H J 74 | 21 20 ddddd 2H J 10 20 62 72 82 | 17 16 m 8H | 16 15 pt 2H J 9 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1(NC(=O)C(=C)F)c2cc(Br)ccc2OCC1(C)C
ir: 3 1 1 1 1 1 1 1 1 1 1 0 0 1 7 0 0 1 2 3 1 6 1 1 0 1 13 4 15 6 0 1 3 3 1 1 1 0 8 2 4 21 17 8 1 1 1 1 2 1 2 2 14 30 9 1 1 1 1 1 1 5 1 1 1 1 4 3 2 5 2 8 16 5 8 0 4 4 2 1 1 1 1 10 2 6 1 1 1 1 9 5 2 3 8 0 1 1 1 1 0 2 1 1 1 1 1 0 0 2 1 3 1 1 4 6 2 1 7 8 2 1 2 2 1 1 1 1 1 0 1 4 6 1 1 1 2 3 4 6 3 2 12 10 11 100 48 5 8 38 6 2 1 3 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 0 1 1 7 12 3 4 6 4 8 10 7 2 7 3 9 10 6 2 1 1 1 1 3 1 1 1 2 2 1 1 1 1 14 34 12 6 4 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 42 | 75 74 m 2H | 69 68 d 1H J 86 | 61 60 dd 1H J 104 159 | 54 54 d 1H J 44 | 53 53 d 1H J 46 | 53 51 m 2H | 51 50 dd 1H J 31 104 | 41 41 d 1H J 119 | 40 39 d 1H J 121 | 12 12 s 3H | 12 11 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
ir: 3 3 2 3 2 3 2 3 3 4 7 4 8 6 8 14 6 15 6 5 11 8 19 16 8 6 3 2 2 3 7 2 3 8 3 3 3 3 4 17 18 10 5 3 3 2 4 10 9 7 20 7 5 20 8 23 30 20 7 4 3 2 3 5 2 2 4 14 6 9 11 6 2 3 3 5 3 4 3 2 2 2 2 3 2 4 14 14 5 11 10 4 4 10 3 2 5 7 15 54 23 4 8 12 8 19 3 2 4 11 1 4 100 5 3 2 6 4 11 12 15 4 6 4 15 10 25 23 29 10 7 8 7 1 1 2 3 1 1 3 59 10 3 81 5 43 7 5 20 8 17 15 25 56 14 3 2 5 2 0 2 2 3 17 2 4 2 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 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 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 3 2 2 2 3 2 2 5 8 19 12 38 58 38 6 11 4 4 3 5 3 2 2 2 2 2 2 4 2 1 2 2 4 6 3 18 19 31 3 5 2 5 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H | 78 78 m 2H | 77 77 dq 2H J 14 73 | 76 76 m 2H | 74 74 m 2H | 43 43 d 1H J 112 | 40 40 d 1H J 114 | 23 22 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc(F)cc1)Nn1nc(S(=O)(=O)c2ccccc2)c2ccccc2c1=O
ir: 3 9 0 6 9 5 5 12 6 7 6 5 9 7 35 43 0 2 2 4 11 7 1 7 17 10 4 4 25 25 29 19 4 9 16 21 6 26 10 11 17 32 19 43 4 5 6 5 2 2 2 2 8 7 12 14 51 9 3 6 5 5 4 12 41 10 4 5 27 19 2 2 1 2 4 10 9 5 3 3 1 0 5 17 28 10 2 2 2 2 2 2 2 2 2 3 7 6 5 4 3 4 2 2 1 1 4 2 0 1 2 3 2 3 3 2 0 7 14 40 29 5 3 3 2 2 4 5 18 34 3 2 1 2 7 6 1 3 2 4 21 19 15 9 5 9 13 25 43 58 24 100 15 5 2 3 2 11 13 3 3 1 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 5 9 9 11 26 60 45 14 4 6 5 3 4 2 2 2 2 2 1 2 2 1 2 1 2 5 3 6 30 18 7 10 12 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 dd 1H J 18 80 | 81 80 dd 1H J 19 72 | 80 79 m 2H | 78 77 m 2H | 76 75 m 3H | 74 73 ddt 2H J 9 34 79 | 71 71 m 2H | 36 36 d 1H J 19 | 36 36 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CC(=O)OC(=O)C1CC2C=CC1CC2
ir: 26 23 28 26 26 11 34 7 12 36 41 15 14 6 5 2 5 13 22 8 2 3 2 2 2 2 6 1 6 8 6 14 24 6 5 1 2 11 11 1 1 0 2 6 2 2 3 2 1 5 7 3 3 7 4 0 5 3 1 3 1 12 9 6 4 2 1 0 0 1 1 1 1 1 0 1 0 1 1 0 0 0 0 0 0 1 0 1 1 2 2 4 4 3 1 2 4 5 1 2 7 4 2 2 0 41 11 9 16 17 8 6 9 14 15 21 9 11 10 13 45 35 29 27 38 63 27 22 10 22 13 17 12 9 7 3 6 28 32 9 5 5 10 23 27 99 100 44 16 5 3 4 8 7 4 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 1 3 1 4 1 3 3 4 5 17 8 12 6 10 7 19 19 19 38 96 69 22 4 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 m 2H | 35 35 s 2H | 31 30 tddd 1H J 14 35 59 83 | 27 25 m 2H | 22 21 dddd 1H J 7 61 69 123 | 20 19 dddd 1H J 7 61 69 122 | 18 17 m 2H | 15 14 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](c1ccccc1)N(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Cl)s1
ir: 8 24 7 6 3 12 30 7 2 3 2 4 25 14 30 20 5 5 7 2 3 2 2 1 2 3 17 2 5 2 3 2 12 6 4 1 3 7 2 2 2 10 17 3 9 5 4 1 3 2 4 4 12 5 10 1 2 25 10 10 42 6 4 6 19 6 2 4 2 6 4 1 2 1 3 10 4 7 7 7 9 4 14 53 20 10 40 31 89 41 36 13 17 37 11 7 4 7 3 23 5 4 2 3 3 2 1 3 5 2 2 5 4 100 11 43 12 6 8 5 14 8 2 3 7 22 2 8 5 1 1 4 3 2 6 38 7 5 1 2 4 1 4 35 7 9 12 33 5 11 6 12 10 2 2 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 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 3 0 1 2 2 1 2 5 2 2 2 6 6 1 10 11 26 22 35 29 31 7 2 1 2 3 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 74 74 d 1H J 81 | 74 73 dt 2H J 9 86 | 73 72 m 5H | 71 70 d 1H J 81 | 46 46 dt 1H J 9 134 | 45 44 dt 1H J 9 134 | 42 41 m 1H | 39 39 s 2H | 20 19 dqd 1H J 68 76 115 | 18 17 m 1H | 10 9 td 3H J 15 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(SCc2ccc(F)c(C(N)=O)c2)n1-c1ccc(F)cc1
ir: 4 10 3 5 4 13 8 7 10 9 6 5 1 1 2 2 7 4 3 5 1 4 4 2 2 1 1 0 1 1 1 3 1 1 1 4 5 2 3 2 2 1 2 9 4 7 7 2 2 1 1 1 4 28 30 8 8 15 33 3 5 2 1 1 1 2 4 4 7 10 8 4 2 1 1 1 3 4 1 1 1 3 3 4 2 3 5 2 7 1 1 8 4 3 2 8 8 24 25 2 7 1 1 0 0 1 1 1 7 4 7 9 1 1 1 2 6 2 3 2 7 2 2 9 3 4 2 2 1 1 1 14 7 3 1 3 4 3 5 0 1 0 2 2 2 2 8 30 10 13 9 4 24 12 13 23 11 5 3 0 1 2 2 0 1 8 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 3 1 1 4 5 3 1 1 2 3 7 21 28 12 33 100 31 33 10 10 4 0 2 2 1 0 1 1 1 0 1 1 4 53 3 2 1 1 1 0 0 0 0 0 2 16 9 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 ddd 1H J 10 22 34 | 75 73 m 4H | 72 70 m 6H | 69 69 s 2H | 67 67 s 1H | 44 44 d 2H J 9 | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1c[nH]c(=S)[nH]c1=O
ir: 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 1 2 0 1 0 3 1 0 0 0 0 0 0 0 0 1 1 1 3 8 18 28 8 2 0 0 1 2 1 2 13 26 15 2 1 1 1 1 1 3 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 1 0 0 0 0 0 1 1 0 1 1 6 3 1 0 0 0 0 0 0 1 0 0 2 3 0 0 1 1 1 2 2 2 1 2 1 2 1 0 0 1 0 1 1 1 2 1 2 1 0 0 1 1 0 0 1 1 1 6 1 1 3 38 8 2 25 5 1 1 0 1 0 0 0 1 17 10 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 0 0 1 1 2 1 0 0 0 0 3 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 1 1 18 1 4 12 100 13 4 1 3 1 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dt 1H J 13 55 | 37 36 s 3H | 28 27 tt 3H J 11 82 | 27 26 td 3H J 11 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cnc(Oc2ccc(C=O)cc2)cn1
ir: 1 1 1 1 2 1 8 14 8 2 3 4 4 2 2 5 16 41 25 5 7 5 7 7 6 4 1 2 3 2 2 4 14 16 6 3 2 1 2 4 5 5 3 2 1 1 1 2 1 2 1 2 5 9 7 8 3 0 1 1 0 0 1 2 0 0 1 2 5 18 21 10 4 2 1 2 1 1 1 1 1 1 4 5 2 1 1 3 2 1 1 2 1 1 4 7 8 13 15 5 3 3 2 1 6 5 1 1 1 1 1 0 0 1 7 5 1 1 1 1 1 1 1 1 2 2 2 1 1 10 17 1 1 1 0 1 1 1 2 3 1 3 2 3 5 9 2 1 1 3 3 3 4 4 3 3 3 27 32 33 14 0 10 15 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 3 12 9 7 3 2 1 1 1 0 1 1 1 0 1 0 0 1 1 3 9 2 1 0 0 1 1 0 0 1 1 1 36 100 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 88 88 s 1H | 80 80 s 1H | 79 78 m 2H | 73 73 s 2H | 71 71 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)C(O)(c2cc(C)c(=O)n(C)c2)C(F)(F)F)c(Cl)c1
ir: 9 10 5 7 6 7 3 2 4 3 5 2 2 2 1 2 3 3 3 3 3 3 2 2 3 2 3 3 2 1 0 2 1 0 2 3 2 0 2 5 3 1 14 100 47 7 3 0 1 4 3 1 1 2 3 8 12 4 2 3 3 4 5 5 6 7 20 10 5 6 2 4 2 3 4 7 4 1 5 6 3 3 14 17 14 12 13 7 10 21 40 19 27 10 32 28 46 4 12 38 10 5 11 8 6 17 6 3 2 3 3 3 2 6 7 11 6 2 3 2 1 3 1 1 3 2 3 4 3 8 8 10 8 3 1 2 2 19 26 3 2 1 3 5 2 2 1 1 2 24 26 13 3 13 8 3 1 1 2 1 1 4 1 1 1 1 1 0 1 1 1 1 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 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 3 2 2 1 1 2 2 2 4 2 4 2 2 5 7 5 7 14 38 21 15 17 9 5 2 8 18 13 2 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 81 t 1H J 12 | 75 74 p 1H J 13 | 72 72 dd 1H J 7 78 | 68 68 d 1H J 21 | 68 67 dd 1H J 22 79 | 44 44 q 1H J 33 | 38 38 s 2H | 37 37 m 1H | 34 34 d 3H J 10 | 20 20 d 3H J 13 | 15 14 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc(Br)s1
ir: 2 1 2 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 1 2 3 3 2 5 2 2 1 2 1 3 1 1 1 1 1 1 1 2 2 2 19 17 100 10 7 2 0 1 2 1 0 1 2 1 0 2 2 2 0 1 1 3 1 1 1 1 1 2 10 1 2 4 3 16 2 6 6 5 1 1 1 1 1 2 1 1 3 3 8 18 4 34 6 2 5 4 4 8 9 7 5 3 11 7 4 2 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 40 4 1 1 2 4 5 1 2 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 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 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 2 4 3 2 7 5 5 4 2 3 3 2 3 5 8 14 3 3 6 7 79 14 4 2 3 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 69 68 d 1H J 68 | 67 66 dt 1H J 8 68 | 28 27 td 2H J 9 70 | 17 16 p 2H J 70 | 14 12 m 11H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN1CC(=O)N(CC(=O)OC(C)(C)C)c2ccc(O)cc2C1=O
ir: 2 11 15 5 10 8 8 6 21 11 7 9 5 6 7 6 7 2 3 1 3 3 5 6 2 15 4 2 5 4 4 6 14 7 6 8 9 9 9 10 3 31 34 5 1 2 3 2 1 2 3 4 5 14 34 30 4 2 3 2 4 5 5 5 3 4 9 21 6 3 2 2 2 2 7 5 3 0 4 4 8 31 100 94 19 19 7 2 4 4 7 4 6 7 3 4 4 6 6 7 11 4 2 2 7 4 6 3 8 7 14 10 4 10 27 20 7 8 3 19 16 23 13 27 32 14 8 5 19 10 21 12 8 4 4 7 6 4 8 13 4 3 5 16 34 68 10 6 8 34 35 3 9 5 7 10 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 2 4 3 3 5 4 9 6 2 3 3 1 1 3 11 38 14 10 41 8 9 2 2 1 2 2 38 24 5 3 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H | 74 73 d 1H J 91 | 71 70 m 2H | 47 47 s 2H | 42 41 q 2H J 66 | 40 40 s 2H | 38 38 t 2H J 68 | 27 27 t 2H J 68 | 14 14 s 8H | 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.
C[C@H](c1cccc2ccccc12)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1
ir: 3 4 11 7 15 6 3 2 3 8 46 5 5 4 3 2 2 1 3 3 3 12 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 2 2 2 3 2 2 26 6 1 1 5 3 1 3 1 1 1 1 2 1 1 3 3 3 1 2 2 1 1 2 2 1 1 1 2 1 6 1 1 8 2 1 1 2 2 1 3 1 1 1 1 1 2 3 3 4 4 4 3 5 2 2 2 2 4 4 4 5 2 2 3 3 10 9 5 12 5 4 3 6 7 5 4 8 9 9 9 3 8 5 4 6 13 41 8 5 6 6 3 2 2 2 1 1 1 1 1 3 7 8 0 16 100 13 4 2 0 2 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 4 1 2 3 3 5 4 17 20 13 15 29 21 8 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 1H | 79 79 dt 1H J 14 78 | 79 78 m 1H | 76 75 m 2H | 75 74 m 2H | 56 55 q 1H J 75 | 46 45 ddddd 1H J 18 26 35 44 53 | 38 38 m 1H | 36 35 m 2H | 35 34 dddd 1H J 18 51 69 120 | 23 23 dddd 1H J 35 50 70 121 | 21 20 ddt 1H J 52 71 122 | 15 15 d 3H J 75 | 15 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C(O)c2cn3c(cc(OC)c4ccccc43)n2)cc1
ir: 2 7 8 5 0 11 19 10 4 5 8 7 1 9 23 19 12 7 9 5 3 4 7 4 2 3 4 1 2 3 6 4 3 3 5 3 9 13 7 1 5 7 95 10 3 5 5 4 16 5 4 4 4 6 16 7 6 7 11 17 37 22 25 15 5 7 7 3 7 18 28 14 17 20 11 7 3 6 3 5 7 6 18 16 18 52 53 38 21 12 3 4 12 31 12 4 5 4 7 5 5 2 1 2 3 2 1 2 5 7 3 5 4 5 2 8 9 5 8 15 10 5 3 9 5 7 11 21 7 9 3 8 4 3 2 5 2 13 4 3 3 2 1 5 5 4 13 3 12 9 34 11 4 5 12 5 5 3 2 5 29 2 3 3 4 2 2 3 2 0 1 3 2 0 1 3 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 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 5 3 2 4 4 4 2 3 4 4 2 5 7 3 2 5 7 5 5 11 13 68 67 66 50 27 33 11 10 17 78 100 7 3 5 2 2 2 2 1 1 2 1 1 2 1 2 2 2 2 2 2 2 2 2 3 3 3 2 3 4 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 80 ddd 2H J 15 78 98 | 79 79 s 1H | 77 76 ddd 1H J 15 71 85 | 74 73 td 1H J 14 72 | 73 72 m 2H | 71 70 dt 2H J 9 79 | 64 64 s 1H | 60 59 m 1H | 44 43 d 1H J 48 | 39 39 s 2H | 27 26 qt 2H J 9 73 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)OC
ir: 11 33 26 8 31 10 7 4 1 2 2 1 3 1 2 1 1 1 1 1 1 1 1 1 2 3 2 4 2 4 4 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 4 3 5 8 4 6 2 3 0 2 6 11 4 7 1 3 4 3 2 1 1 0 1 1 2 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 1 0 3 8 6 100 80 0 2 4 4 4 7 3 5 1 2 3 1 1 2 1 1 0 1 1 2 1 3 6 10 11 3 2 2 2 2 3 31 35 47 14 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 3 3 4 3 8 4 5 10 4 4 2 4 2 5 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; 1HNMR: 60 59 ddt 1H J 57 116 173 | 53 52 ddt 1H J 13 25 170 | 52 51 m 1H | 46 46 dt 2H J 14 57 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3[nH]c(N)nc(=O)c23)cc1)C(=O)OC
ir: 8 5 7 6 5 4 3 5 10 3 1 2 2 6 4 9 1 4 3 11 16 3 4 2 1 7 6 8 9 8 8 23 7 1 5 11 6 5 6 11 6 45 22 13 10 29 22 37 16 5 98 91 25 20 12 21 25 11 1 15 7 4 6 6 9 9 5 7 7 8 9 2 4 13 14 2 3 5 5 2 2 1 2 2 2 1 1 2 1 2 4 4 4 2 3 3 0 3 3 12 45 9 6 4 6 10 29 6 2 3 1 10 10 3 6 5 5 10 7 13 24 13 11 8 12 14 7 2 6 2 3 2 3 6 3 3 2 3 3 6 23 21 23 60 34 14 16 27 3 11 14 31 7 4 8 5 95 16 19 10 3 3 2 5 3 2 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 0 2 2 2 1 1 4 4 3 3 7 7 6 6 23 12 10 7 6 6 3 2 5 6 3 2 3 3 6 4 6 8 16 52 27 11 6 13 23 17 31 74 30 31 100 65 17 5 4 2 1 4 3 1 2 3 1 2 1 2 1 1 1 2 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 100 s 0H | 89 89 s 1H | 78 78 m 2H | 74 74 d 1H J 88 | 73 73 dq 2H J 9 78 | 68 67 s 2H | 67 67 dt 1H J 9 76 | 44 43 dt 1H J 62 88 | 37 37 s 3H | 37 36 s 3H | 31 30 tt 2H J 9 73 | 30 29 ddq 2H J 8 64 73 | 25 24 dt 1H J 88 165 | 24 23 dt 1H J 89 163 | 22 21 dtd 1H J 62 89 143 | 20 19 dtd 1H J 63 89 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
ir: 0 2 3 1 1 2 2 2 4 6 1 5 3 2 2 1 2 3 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 4 2 2 4 1 35 23 3 3 1 1 2 2 1 2 4 7 4 9 16 7 11 17 15 5 2 1 2 3 4 17 87 61 4 8 2 2 2 1 1 1 1 1 0 1 1 1 2 4 7 13 18 4 5 2 4 24 34 5 6 2 1 1 2 4 4 1 4 10 1 1 2 4 5 7 6 7 4 2 6 2 4 7 3 4 3 7 8 7 2 10 3 1 1 0 1 2 1 2 3 11 24 72 23 4 1 1 1 1 1 1 1 3 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 0 1 2 3 5 2 1 1 1 1 1 1 1 1 2 3 29 25 11 28 13 6 2 1 1 2 2 5 100 16 3 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 66 q 1H J 9 | 66 65 q 1H J 9 | 43 42 s 1H | 17 17 t 4H J 10 | 12 12 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2cc(CBr)ccc2n1
ir: 1 6 8 5 2 1 1 1 1 1 1 2 2 10 2 11 2 2 1 1 2 6 3 1 1 3 1 1 1 1 1 1 2 5 10 3 2 1 1 5 1 3 1 2 2 1 13 9 17 3 2 2 2 51 5 8 100 23 12 4 3 1 1 1 2 42 5 3 7 58 5 3 1 1 1 1 1 5 5 1 2 1 1 1 1 7 9 45 4 3 1 6 19 3 3 1 6 4 1 1 2 1 1 12 11 4 4 16 4 3 2 1 1 1 2 2 2 2 6 3 3 1 1 2 4 12 3 2 1 1 0 1 2 0 0 21 27 5 2 2 2 1 1 2 19 4 6 22 5 2 44 30 5 2 25 60 32 11 4 0 1 2 1 0 1 2 7 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 1 1 1 2 1 2 2 9 4 13 52 68 39 28 3 3 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 21 78 | 79 78 d 1H J 79 | 79 78 dq 1H J 12 24 | 77 77 ddt 1H J 10 20 79 | 73 73 m 1H | 47 47 t 2H J 8 | 27 27 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCCCl)NC(=O)NC
ir: 2 6 2 2 1 1 1 5 5 3 1 0 1 1 1 1 2 1 1 5 2 1 1 8 2 1 1 1 1 1 1 3 3 1 3 5 3 9 16 30 9 8 4 4 5 4 5 3 3 2 2 1 2 2 2 2 5 4 3 2 3 8 2 2 0 2 3 1 1 2 3 19 7 2 2 1 1 1 1 1 1 1 1 1 2 7 11 15 1 2 2 1 3 1 1 0 1 2 2 2 3 10 5 14 23 36 12 11 4 6 4 3 2 3 4 4 3 4 7 11 6 3 2 3 3 2 1 1 2 0 0 1 1 0 1 0 0 0 0 1 3 1 0 1 1 1 1 1 4 49 58 3 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 4 4 3 2 2 1 2 2 1 7 13 5 1 0 1 0 1 0 0 1 0 0 1 1 0 0 0 0 1 1 1 1 2 6 100 26 8 18 21 4 2 2 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 62 61 q 1H J 46 | 58 58 d 1H J 82 | 49 48 t 1H J 73 | 39 39 tt 1H J 43 86 | 37 36 t 2H J 45 | 34 33 ddd 1H J 44 73 141 | 32 30 m 3H | 28 28 dd 1H J 42 145 | 28 27 d 3H J 46 | 25 24 m 3H | 23 22 tt 2H J 44 90 | 15 15 m 2H | 14 13 m 2H | 14 12 m 11H | 13 12 s 13H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ncc(=O)n(CCN3CCC(NCc4ccc5c(c4)OC(F)(F)O5)CC3)c2c1
ir: 32 7 14 6 10 24 7 6 6 6 7 3 5 10 2 1 2 5 3 2 4 12 14 11 3 9 5 5 25 2 1 1 3 12 18 22 13 14 28 10 12 22 14 20 20 11 11 6 2 3 3 17 39 42 58 77 22 15 4 8 13 11 3 3 6 8 13 16 38 18 8 7 7 11 8 7 4 3 10 4 68 6 2 2 5 11 33 16 10 3 1 1 3 4 1 24 63 30 47 99 14 6 16 4 3 10 14 14 8 7 9 10 13 11 16 47 18 26 9 13 5 15 4 7 3 13 11 22 22 9 6 23 14 3 12 18 27 13 8 18 16 8 14 2 2 1 2 3 6 16 29 6 3 3 3 6 7 5 3 10 7 1 1 0 3 10 9 6 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 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 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 2 5 4 3 2 3 1 2 2 5 4 9 5 15 30 56 6 4 3 4 4 3 2 1 3 1 1 1 2 3 2 4 24 78 100 22 6 5 3 2 0 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; 1HNMR: 82 82 s 1H | 73 73 d 1H J 83 | 72 71 d 1H J 25 | 71 70 dt 1H J 8 17 | 70 70 d 1H J 83 | 69 69 ddt 1H J 9 18 84 | 69 68 dd 1H J 25 83 | 42 41 t 2H J 60 | 39 38 dt 2H J 9 53 | 38 38 s 2H | 30 28 m 6H | 28 27 ddd 2H J 57 84 126 | 20 19 dddd 2H J 40 57 84 125 | 17 16 dddd 2H J 40 57 84 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CCNCC2)cc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12
ir: 1 0 0 1 1 1 2 5 5 3 3 4 3 3 4 3 3 2 10 4 3 2 4 7 23 8 8 3 4 9 9 12 8 5 18 6 2 5 14 6 20 20 2 2 5 4 2 1 1 1 12 2 6 1 8 14 9 4 3 1 1 2 3 2 8 14 17 4 12 16 6 3 3 1 1 0 3 2 3 1 1 1 0 0 1 0 0 3 3 3 1 4 3 2 1 1 1 1 3 1 0 0 1 0 1 2 4 3 0 1 5 3 4 12 4 18 15 6 1 5 5 4 3 3 4 3 6 8 7 4 4 2 2 0 7 5 9 13 2 1 2 1 7 30 4 2 2 1 2 3 10 7 3 2 0 0 0 0 0 1 0 0 0 6 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 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 1 1 2 2 2 8 7 19 100 32 7 3 1 1 0 1 1 1 1 1 1 1 1 2 1 2 5 6 12 2 6 3 1 3 7 35 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 74 73 m 5H | 73 73 m 2H | 71 70 m 2H | 51 50 d 2H J 10 | 31 31 dddd 2H J 27 38 55 134 | 28 27 m 3H | 25 24 s 2H | 24 23 p 1H J 38 | 21 21 dtd 2H J 27 57 141 | 18 17 dtd 2H J 27 57 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1)[C@@H]1CCCNC1
ir: 2 1 2 3 5 2 4 4 4 1 3 2 3 4 6 4 9 7 17 15 3 10 11 3 5 4 4 2 8 4 4 3 5 8 8 9 12 26 34 18 14 10 8 7 6 7 10 3 3 2 2 2 9 16 9 21 9 7 3 2 4 3 4 11 5 15 6 5 15 5 4 2 6 8 2 2 4 2 1 1 5 28 4 2 2 2 4 1 1 1 1 4 3 3 3 2 1 1 2 1 1 2 8 5 5 5 6 8 9 11 20 21 13 26 11 14 20 16 7 7 8 7 6 5 7 8 11 6 4 3 9 6 3 3 2 2 3 2 2 2 2 10 5 7 8 24 25 43 16 30 12 4 2 3 8 3 2 2 1 1 1 2 24 4 2 3 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 0 1 1 2 1 1 1 2 2 1 1 1 2 1 2 8 9 4 7 7 5 2 2 1 1 1 1 2 1 1 1 1 1 1 3 3 3 7 23 18 23 12 8 6 25 100 27 9 4 3 1 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 16 | 86 85 s 1H | 82 82 s 1H | 79 79 d 1H J 16 | 69 68 t 1H J 61 | 37 37 ddd 2H J 29 57 111 | 35 34 m 4H | 33 32 tt 1H J 40 51 | 31 30 ddd 1H J 22 50 134 | 29 27 m 3H | 27 26 dddd 1H J 22 39 49 63 | 20 16 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1cc(CN2CCOCC2)ccn1
ir: 4 4 7 10 9 6 16 8 6 4 4 9 8 2 6 3 3 1 1 1 1 2 2 3 5 8 2 2 8 6 3 1 1 2 7 10 3 2 3 2 1 7 2 1 1 2 2 3 3 2 2 2 2 3 5 2 3 3 3 7 2 2 2 2 5 3 6 5 4 4 2 2 17 19 5 2 1 1 2 2 6 5 4 3 4 4 7 12 13 100 13 4 2 2 4 7 4 3 6 5 7 3 5 4 1 1 1 2 2 1 1 1 1 3 3 1 2 2 2 1 3 3 1 3 3 5 4 3 2 2 2 2 5 2 1 1 4 4 2 2 1 1 1 1 1 1 1 9 5 1 1 1 2 3 1 1 1 1 1 1 15 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 2 2 2 2 3 4 5 5 8 8 3 1 0 3 5 85 17 3 0 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 47 | 74 74 dq 1H J 9 19 | 72 72 ddt 1H J 9 20 48 | 52 51 m 1H | 37 36 m 5H | 36 36 q 2H J 8 | 25 25 m 4H | 17 16 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)OCc1ccccc1
ir: 9 8 5 5 3 4 5 13 13 12 2 3 4 5 5 12 18 5 12 10 13 13 16 7 7 8 3 7 12 27 27 48 48 7 7 9 39 21 13 21 36 16 4 5 2 2 3 1 2 4 5 1 3 5 2 1 3 2 2 1 2 5 4 1 2 10 5 3 2 2 8 2 3 2 2 1 1 4 5 1 1 2 1 1 3 2 2 2 7 4 1 14 21 5 7 19 45 100 31 18 7 4 5 3 1 2 7 9 12 13 6 5 3 21 19 9 13 7 4 18 4 9 4 5 6 3 10 2 5 5 4 8 5 5 9 8 7 5 1 2 6 20 44 44 21 44 9 9 11 53 44 2 2 3 1 0 1 2 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 2 1 2 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 3 3 1 4 3 2 3 2 2 5 4 5 5 40 3 21 18 18 9 8 19 27 20 6 4 2 1 1 2 2 1 2 1 1 1 1 1 1 2 6 22 86 18 2 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 6H | 59 58 d 1H J 82 | 52 52 d 1H J 119 | 52 51 d 1H J 119 | 44 43 dt 1H J 72 82 | 38 37 dq 1H J 57 123 | 37 36 dq 1H J 58 124 | 32 31 t 1H J 58 | 23 22 ddt 1H J 57 71 145 | 20 19 ddt 1H J 57 71 143 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C=C2COc3cc(O)ccc3C2=O)cc1OCC
ir: 0 1 1 1 1 1 3 2 1 1 2 5 5 2 3 2 2 2 2 4 3 1 2 1 3 1 1 1 9 1 2 1 1 1 3 1 1 2 1 1 3 9 42 74 5 2 2 1 1 1 1 2 2 2 8 6 8 3 2 2 2 1 2 3 2 13 32 15 4 13 5 1 5 4 4 4 2 3 5 5 22 40 1 1 5 17 4 1 6 2 1 3 3 2 0 0 3 1 0 0 2 1 0 2 6 2 1 5 1 1 2 1 1 2 4 3 2 5 1 4 24 16 10 3 4 8 2 3 6 1 3 2 2 1 0 1 2 17 2 1 1 1 3 4 1 1 1 1 4 3 2 3 18 8 33 4 5 1 1 1 1 2 17 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 3 6 16 11 8 100 15 4 2 1 1 1 3 54 12 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 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 1 1; 1HNMR: 79 78 d 1H J 92 | 78 78 q 1H J 8 | 72 71 d 1H J 18 | 71 70 dd 1H J 18 90 | 69 68 m 2H | 65 65 d 1H J 23 | 52 51 d 2H J 10 | 41 40 qd 5H J 23 63 | 15 14 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F
ir: 1 2 2 8 0 27 2 4 3 3 2 4 10 25 10 4 3 3 2 5 2 2 2 1 2 1 2 3 2 2 2 6 2 3 5 5 2 2 4 5 2 2 2 1 2 11 64 56 6 6 2 2 3 9 6 10 96 8 5 6 3 2 2 3 2 1 2 3 5 10 10 11 2 1 3 3 2 4 3 6 3 2 4 2 1 1 2 2 1 1 2 3 8 6 2 2 1 1 2 11 2 3 18 36 14 8 3 2 6 2 3 2 3 3 4 2 2 2 3 4 12 5 3 1 2 2 2 2 4 7 53 7 3 2 1 2 2 8 8 14 11 2 2 2 5 2 2 2 5 19 6 5 4 26 2 3 18 4 4 100 18 9 3 0 3 3 2 0 2 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 9 5 8 36 20 10 6 31 5 1 2 2 2 1 2 2 1 1 4 2 2 3 2 4 14 7 8 18 29 23 18 12 1 2 3 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 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 d 1H J 37 | 76 75 tt 1H J 51 77 | 72 71 m 2H | 45 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C12CCC(CC1)C(=O)N2C
ir: 12 11 11 12 12 9 11 10 11 12 12 8 7 9 9 7 7 10 10 9 9 9 9 8 7 9 9 7 7 8 9 7 9 14 37 19 8 9 8 7 8 9 8 7 11 13 8 6 7 9 8 7 8 10 9 6 8 10 8 6 11 12 8 6 8 9 7 6 8 9 7 6 9 11 12 16 13 13 10 8 8 9 8 7 8 8 7 7 9 9 8 7 9 8 7 7 9 8 7 7 9 10 9 10 9 11 9 12 12 9 7 10 10 16 12 9 11 11 11 17 26 18 17 13 11 10 8 9 8 8 8 9 9 9 9 12 13 8 8 8 8 9 9 7 7 100 21 12 11 0 26 13 9 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 8 9 8 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 9 8 7 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 8 9 8 6 8 9 7 6 8 9 7 7 8 9 7 7 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 9 8 7 8 9 8 9 8 10 9 7 10 12 13 11 17 14 8 7 8 9 8 7 8 9 7 7 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 9 8 7 7 9 8 6 8 9 8 7 8 9 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 9; 1HNMR: 37 37 s 2H | 29 29 s 2H | 24 24 p 1H J 49 | 22 21 ddd 2H J 54 78 129 | 20 19 m 5H | 18 17 ddt 2H J 51 77 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2ccc(C3(c4ccc(Cl)cc4)OCCO3)cc2c1O
ir: 6 14 4 5 4 3 1 3 9 3 4 5 10 8 2 6 11 11 8 8 33 9 14 46 100 27 21 9 10 38 3 9 35 9 11 6 4 2 4 6 3 1 1 2 2 1 2 4 3 21 5 8 10 12 41 95 15 42 16 5 11 0 10 8 3 4 9 4 10 21 5 5 5 6 5 5 4 5 6 10 11 13 14 51 11 7 6 4 1 3 9 5 7 11 61 49 14 9 7 3 3 8 15 37 9 7 4 8 16 7 19 30 4 13 10 12 17 10 20 3 3 3 3 2 5 7 5 4 11 10 6 5 2 3 3 1 1 2 2 1 5 2 2 1 3 5 8 12 8 8 8 12 17 33 20 18 15 17 7 8 16 5 3 0 2 8 8 52 3 1 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 4 3 2 2 4 3 3 4 10 14 24 34 74 19 29 5 16 32 91 14 7 2 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 90 90 s 1H | 83 82 d 1H J 25 | 79 79 d 1H J 77 | 76 75 dd 1H J 24 77 | 75 74 m 2H | 74 73 m 2H | 43 42 q 2H J 64 | 41 40 m 2H | 40 39 m 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.