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O=C(Nc1cccnc1)N1CCC(=C(F)c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
ir: 2 7 7 22 6 3 1 1 1 1 1 0 3 1 1 2 1 1 1 1 0 3 3 4 12 4 3 3 7 4 4 13 28 21 10 14 9 8 11 9 7 14 23 46 11 1 4 6 14 9 2 2 3 8 15 3 3 1 3 1 1 3 11 6 5 3 16 5 9 5 14 6 1 5 3 1 1 4 7 3 3 4 1 2 1 2 0 4 6 2 2 1 1 3 3 1 2 3 10 32 10 2 2 3 12 6 1 1 5 1 1 5 65 20 14 6 5 4 5 5 4 4 2 7 11 19 13 8 3 2 1 1 1 0 1 3 4 68 12 4 6 4 3 2 2 3 31 16 3 100 23 14 23 20 7 2 13 4 2 1 39 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 1 1 1 1 1 1 2 1 1 7 16 15 18 74 26 7 3 4 3 1 1 2 1 1 1 0 1 1 1 1 1 2 2 2 2 1 3 4 4 19 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 t 1H J 16 | 86 86 dq 1H J 12 24 | 84 83 ddd 1H J 14 22 38 | 82 82 ddd 1H J 14 29 52 | 82 82 s 1H | 79 79 dt 1H J 19 77 | 74 72 m 4H | 70 70 m 1H | 70 70 q 1H J 21 | 37 36 t 4H J 47 | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCS)Cc1ccc(Br)cc1C(O)c1ccccc1
ir: 5 4 13 10 8 12 26 6 9 6 5 8 5 11 6 9 4 5 2 3 2 3 5 3 11 3 3 2 10 19 43 20 2 5 5 2 5 13 13 12 43 6 9 12 9 10 13 13 9 9 7 3 2 13 11 14 13 4 6 5 2 5 4 1 4 6 13 13 14 22 21 9 3 5 4 6 4 8 7 15 20 16 8 12 43 100 49 35 16 6 20 12 7 13 34 16 19 11 7 11 7 7 5 3 1 2 1 2 2 3 2 3 5 4 1 6 6 5 3 8 14 12 5 2 3 5 2 2 7 2 3 4 8 7 15 22 11 5 2 1 2 5 8 41 44 27 8 3 4 17 2 2 7 8 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 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 0 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 1 1 2 1 1 1 1 2 3 2 2 1 2 1 1 0 1 1 2 3 2 6 8 34 25 9 2 2 2 1 2 1 1 1 1 1 1 2 1 1 2 1 3 3 2 1 3 3 3 2 2 2 2 4 7 6 9 22 24 51 59 26 12 3 3 4 4 25 21 9 2 1 1 1 1 1 1 1 0 1 1 2 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 dd 1H J 8 21 | 74 73 m 6H | 72 72 dt 1H J 9 82 | 60 60 dd 1H J 8 55 | 38 37 dd 1H J 8 136 | 37 36 dd 1H J 10 137 | 29 28 t 2H J 60 | 27 27 d 1H J 55 | 27 26 dt 2H J 61 72 | 24 24 s 2H | 17 17 t 1H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc2[nH]cc(-c3cc(Cl)nc(N[C@@H]4CC[C@@H](NC(=O)OC(C)(C)C)CC4)c3)c2c1
ir: 9 4 3 3 5 25 6 5 23 6 4 4 1 3 15 20 12 4 1 17 25 10 10 5 5 10 13 30 70 19 16 1 6 1 18 2 6 3 16 12 6 6 6 1 3 3 1 0 1 1 1 0 2 1 3 1 5 4 3 2 1 3 3 1 8 5 18 9 18 4 7 1 1 2 2 3 3 2 1 1 1 1 1 2 1 1 0 1 6 11 2 5 4 4 22 4 4 7 10 20 3 4 1 2 2 6 10 13 6 10 9 8 7 5 4 5 4 2 2 6 7 6 6 3 8 4 10 6 6 7 3 6 1 2 2 4 1 4 3 3 2 6 12 1 14 31 30 68 32 19 19 45 11 2 8 49 6 4 3 1 2 2 2 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 3 2 1 2 2 2 1 3 6 5 5 17 13 9 39 10 14 4 8 5 2 1 1 1 2 2 1 2 2 1 1 3 2 4 1 4 5 9 53 100 63 61 19 11 4 2 2 2 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 96 95 d 1H J 70 | 81 80 d 1H J 16 | 79 79 d 1H J 70 | 73 73 d 1H J 18 | 72 71 m 2H | 56 55 d 1H J 82 | 46 45 d 1H J 81 | 39 39 s 3H | 35 34 m 2H | 19 18 m 4H | 16 15 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)occ(Cl)c1=O
ir: 3 4 0 4 6 4 7 5 6 4 3 2 1 2 3 2 1 3 4 2 1 2 3 1 2 3 2 1 1 2 4 2 3 3 3 2 2 2 2 1 2 2 2 1 2 4 2 2 7 3 12 3 2 3 4 5 6 4 5 5 2 3 2 1 2 3 2 1 2 5 2 1 2 3 3 5 5 4 3 1 2 3 1 1 2 3 1 1 5 3 1 1 3 2 1 1 3 2 1 1 3 2 1 9 3 2 2 2 3 2 1 2 5 4 4 2 3 3 1 4 4 2 1 2 3 2 2 3 3 4 1 2 3 4 5 2 3 2 4 2 3 1 1 3 3 1 1 4 10 100 21 0 1 3 3 1 2 5 8 52 3 0 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 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 3 6 2 2 2 1 2 3 2 1 2 3 3 5 5 3 2 1 4 8 3 3 3 2 2 2 3 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 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; 1HNMR: 78 78 s 1H | 38 38 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CC1CCCCC21
ir: 1 3 13 4 0 1 1 1 0 1 2 4 1 1 2 2 4 2 1 2 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 4 4 1 3 2 1 1 1 0 1 2 1 1 1 6 6 3 4 20 39 30 5 4 4 3 1 1 7 20 11 8 17 19 24 14 2 2 4 3 0 1 1 1 1 0 1 2 1 0 2 4 3 4 2 2 12 23 4 8 9 3 2 1 3 2 1 1 1 6 4 6 2 3 2 3 5 3 9 7 16 4 6 3 4 6 6 4 1 3 3 1 2 5 3 2 0 1 1 1 0 1 1 0 0 1 2 10 6 1 1 0 0 1 2 27 20 3 19 9 2 1 1 1 0 1 1 11 6 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 2 4 3 3 6 3 4 10 9 4 8 28 9 9 100 40 5 3 1 1 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 m 1H | 68 67 m 2H | 38 38 s 2H | 30 29 ddd 1H J 9 54 141 | 27 26 ddd 1H J 9 54 141 | 26 25 ddd 1H J 41 48 73 | 23 22 dp 1H J 51 73 | 21 20 dddd 1H J 45 60 84 128 | 17 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc2cc(C(C)=O)cc(COc3ccc(CCC(=O)OCC)c(C)c3C)c2o1
ir: 2 4 4 5 2 6 5 4 9 5 3 4 3 5 6 7 4 5 2 3 9 14 5 4 3 5 3 2 2 9 16 5 3 2 5 13 39 9 7 8 1 7 10 20 22 3 4 2 2 2 2 3 4 38 22 24 24 13 2 5 4 3 5 2 6 24 23 26 9 10 9 7 4 8 8 14 2 2 2 3 1 1 2 1 1 1 2 2 6 2 4 3 2 4 7 16 16 30 13 28 8 30 11 42 34 10 10 9 16 12 8 6 6 11 8 12 6 15 19 9 10 27 8 18 43 27 2 27 33 24 3 4 5 8 6 3 4 4 12 18 8 13 11 100 96 14 7 3 5 3 2 4 3 5 3 1 1 1 2 7 6 1 1 2 6 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 2 1 3 10 9 4 2 2 3 9 5 5 3 4 5 9 18 37 49 21 48 12 99 35 15 11 11 3 3 2 1 0 1 1 1 0 1 1 0 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 1; 1HNMR: 82 81 t 1H J 22 | 79 79 dt 1H J 9 20 | 69 69 dt 1H J 9 86 | 67 66 m 2H | 52 52 d 2H J 9 | 42 41 q 2H J 66 | 29 29 m 2H | 28 27 td 2H J 8 64 | 27 26 m 2H | 26 26 s 3H | 22 22 s 2H | 21 21 s 2H | 17 16 qt 2H J 65 74 | 13 12 t 3H J 66 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(Cc2c(N3CCOCC3)nn3ccccc23)n1
ir: 5 14 6 6 4 9 6 5 5 8 6 4 11 4 13 3 2 5 23 4 10 5 9 2 11 4 9 6 9 9 4 3 4 13 11 2 3 3 6 2 3 4 4 3 7 70 60 86 17 4 5 6 3 4 3 7 3 3 3 2 3 3 12 5 17 6 16 3 4 3 3 3 13 17 3 4 4 4 5 17 9 10 8 15 8 11 5 3 5 4 2 4 9 18 7 4 5 6 10 10 9 4 4 15 5 3 1 2 3 3 3 12 9 7 4 23 11 4 15 5 6 5 8 6 2 4 7 6 10 7 5 9 28 5 7 6 86 11 33 34 35 10 21 53 7 10 77 50 32 11 4 5 4 0 11 17 30 9 21 8 4 5 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 2 3 4 4 4 8 4 4 3 3 4 4 4 21 18 6 100 80 27 34 15 6 3 3 3 3 3 3 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 87 87 dd 1H J 13 68 | 80 80 dd 1H J 11 79 | 78 77 m 2H | 75 74 m 2H | 72 71 td 1H J 14 72 | 44 43 d 2H J 7 | 40 40 s 2H | 39 38 m 4H | 36 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2cc(Cl)nc(C(F)(F)F)c2)COC1
ir: 14 13 2 11 8 7 11 10 10 6 11 11 7 17 49 13 11 45 4 6 11 5 41 33 10 3 5 19 35 4 4 5 15 32 16 16 6 1 3 8 5 5 15 8 7 1 3 9 11 2 3 6 8 11 17 99 21 20 10 12 20 14 22 22 42 28 77 9 32 26 38 35 35 19 17 21 49 25 51 54 35 18 38 20 72 95 77 21 13 4 13 20 16 11 36 23 11 31 100 12 10 33 78 6 2 4 8 7 8 11 28 24 1 21 44 23 18 6 9 7 39 34 12 8 6 22 15 32 10 7 6 7 9 20 14 5 5 7 5 1 2 33 45 4 4 3 3 1 2 3 2 1 3 10 24 6 3 7 10 14 30 44 14 5 3 5 4 1 2 4 3 1 3 5 3 1 4 6 2 1 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 2 4 2 1 3 4 1 1 3 4 2 1 3 4 1 1 3 4 1 2 3 4 2 1 5 3 2 4 4 4 2 4 4 6 3 5 9 6 4 4 9 7 3 6 13 16 17 53 74 81 36 17 14 11 6 14 38 26 8 6 6 8 3 4 6 3 3 4 5 2 2 4 4 3 3 4 4 2 3 4 3 2 2 4 4 1 2 4 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 d 1H J 21 | 72 72 d 1H J 22 | 46 46 d 2H J 108 | 43 43 d 2H J 110 | 39 39 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cc2c(Cl)cc(Cl)cc2n1C)C(=O)/C=C/c1ccc(N)nc1
ir: 14 8 9 19 13 18 38 15 17 7 6 4 9 8 15 9 1 8 9 7 6 5 5 7 4 6 8 5 4 8 14 15 43 87 39 21 16 21 13 8 3 4 7 2 6 5 20 3 7 11 8 12 22 43 16 5 6 6 6 5 3 2 4 2 6 24 16 8 8 13 5 4 3 5 6 3 4 11 10 6 21 8 9 4 5 2 2 2 3 6 5 3 3 2 5 18 5 5 28 4 11 11 4 7 6 3 6 2 4 3 0 2 4 2 1 2 5 6 8 16 7 12 12 7 4 3 2 4 5 4 3 7 6 9 9 16 22 53 15 3 6 10 4 6 12 18 65 55 68 21 7 100 24 10 9 8 30 3 9 46 13 14 8 4 3 3 2 11 6 4 2 1 2 2 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 2 1 1 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 2 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 2 2 1 1 2 2 2 2 2 2 3 3 4 10 18 8 40 51 20 27 18 3 6 6 3 2 3 3 3 2 2 2 3 4 7 10 51 8 2 2 2 3 1 1 6 12 25 48 87 32 20 11 0 2 3 3 0 1 3 3 1 1 2 1 1 1 2 1 0 2 2 2 1 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 19 | 77 77 m 1H | 77 76 m 1H | 74 73 d 1H J 23 | 71 71 d 1H J 21 | 67 67 m 1H | 66 66 d 1H J 159 | 65 64 d 1H J 79 | 53 53 s 2H | 45 44 d 2H J 9 | 36 36 s 3H | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@@]2(C)COc3cccc(-c4cccc(Cl)c4)c3O2)cc1
ir: 5 16 8 2 4 3 2 2 23 7 5 10 11 5 4 1 2 2 1 1 1 2 1 3 8 2 1 2 3 1 3 11 7 2 2 2 4 7 8 9 5 13 7 5 14 4 66 14 17 6 3 2 5 31 2 6 2 2 2 2 1 2 1 4 17 21 6 5 3 15 48 11 2 0 3 4 2 2 2 2 6 17 9 16 100 18 0 3 65 3 6 5 5 10 20 5 1 2 3 2 3 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 2 8 4 4 8 16 10 9 3 2 3 2 2 2 1 1 1 2 3 9 10 25 8 4 2 1 1 3 3 10 2 6 2 5 2 49 2 2 2 10 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 1 2 2 2 11 2 8 15 20 23 41 30 15 5 4 5 2 2 3 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 2H | 75 74 m 5H | 74 74 t 1H J 77 | 74 73 m 1H | 73 73 dd 1H J 13 79 | 71 70 t 1H J 80 | 69 68 dd 1H J 11 81 | 46 46 d 1H J 126 | 45 44 d 1H J 117 | 44 43 d 1H J 126 | 43 42 d 1H J 119 | 24 24 d 3H J 10 | 15 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)OC)c(Br)c1
ir: 5 3 8 14 24 3 7 4 2 7 19 11 4 2 3 2 2 3 9 17 26 12 7 1 0 0 1 1 0 1 1 0 1 1 2 3 2 2 2 2 1 0 0 0 0 0 0 0 0 1 1 1 2 4 24 34 6 2 6 4 8 3 1 1 1 1 2 10 3 1 0 1 0 1 3 3 3 1 1 1 1 7 5 10 3 3 2 1 1 1 0 0 1 1 12 1 1 1 1 0 0 1 1 1 2 5 8 6 3 1 1 1 2 1 5 12 100 16 12 16 69 25 10 4 9 3 2 3 4 1 1 1 2 3 23 17 1 2 2 1 1 2 3 4 13 71 2 5 3 11 5 3 3 0 0 1 0 0 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 3 10 19 11 71 30 2 2 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 18 | 80 79 m 2H | 39 39 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)NCC(C)(C)O)cn1
ir: 3 2 3 1 2 1 0 7 12 8 14 10 7 6 7 4 4 2 3 1 2 2 1 1 1 2 4 2 4 4 4 2 2 4 8 10 13 4 7 4 3 6 20 19 10 0 9 21 14 17 7 2 5 4 4 5 4 0 2 5 3 2 2 1 2 3 8 4 12 2 7 39 5 6 10 10 10 13 22 39 12 2 4 2 2 1 1 2 2 4 8 5 6 6 8 7 11 6 7 4 3 2 4 15 9 4 3 2 1 1 1 1 1 2 4 4 14 5 3 3 1 4 7 3 2 3 11 20 6 10 9 8 1 1 3 1 1 1 2 5 1 2 4 3 4 23 16 6 6 22 6 5 24 3 3 2 16 1 6 39 7 4 1 1 1 0 1 0 0 0 0 1 1 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 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 1 1 1 1 2 1 5 5 2 3 1 2 4 2 2 3 3 4 6 22 10 9 19 25 20 18 14 4 9 8 26 100 33 12 7 8 6 2 2 3 3 6 7 6 4 6 4 21 34 10 4 3 4 4 2 2 2 1 2 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 s 1H | 87 86 t 1H J 9 | 79 78 t 1H J 63 | 74 73 dtt 1H J 9 47 79 | 69 68 m 2H | 62 62 q 1H J 13 | 53 53 dd 2H J 8 36 | 53 52 d 2H J 7 | 36 35 d 2H J 62 | 31 30 s 1H | 24 23 d 3H J 13 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC=C(C)C=O
ir: 2 4 6 4 3 4 8 3 1 3 7 7 8 6 24 17 10 12 13 5 2 4 5 3 12 8 5 3 2 4 4 1 2 4 4 1 2 4 4 1 2 5 4 1 2 10 11 9 8 6 3 1 3 5 3 1 3 6 4 4 4 7 4 5 8 5 20 61 30 11 9 10 13 8 4 3 5 5 3 2 4 5 4 5 8 4 2 2 4 3 2 3 5 6 3 3 3 4 5 6 4 7 13 53 100 25 1 10 41 16 3 11 12 6 1 5 11 8 1 7 11 12 2 7 7 5 1 4 5 3 0 4 5 2 1 4 5 2 2 4 4 3 2 4 4 2 2 5 4 5 9 27 19 5 3 5 3 1 3 6 15 17 14 8 3 0 3 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 4 6 4 3 5 6 6 3 4 5 5 3 5 7 7 5 10 14 10 9 9 5 5 2 3 5 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 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 3 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 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 94 93 t 1H J 12 | 72 71 hept 1H J 12 | 38 38 td 2H J 9 59 | 19 19 t 3H J 12 | 18 17 qt 2H J 58 74 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(CCCC#N)CCCN(C(=O)OC(C)(C)C)C1
ir: 12 17 6 21 44 43 21 18 24 36 95 94 29 20 10 10 18 10 5 8 8 9 30 11 10 4 5 8 4 4 3 4 5 3 4 3 4 4 5 5 14 10 4 5 5 3 3 6 7 7 10 25 14 3 6 8 5 4 6 9 5 17 35 12 6 6 4 4 4 4 6 6 6 4 9 6 3 3 4 13 17 7 7 7 16 10 12 8 9 8 10 5 15 9 14 8 11 8 5 7 6 10 9 14 12 7 11 9 8 9 15 9 24 39 10 22 17 36 94 49 64 61 51 93 14 16 16 20 25 30 40 26 25 17 10 9 9 11 17 9 8 11 9 6 26 58 7 8 7 0 38 60 5 9 5 1 2 4 3 1 2 3 3 1 2 4 2 1 2 3 2 2 3 3 2 2 3 3 4 17 4 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 4 2 2 3 3 3 3 5 5 4 13 12 17 12 18 12 21 7 9 7 8 24 30 95 100 19 22 11 4 6 5 5 3 2 3 3 3 2 3 3 2 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 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 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 42 41 m 2H | 40 39 d 1H J 124 | 37 37 d 1H J 126 | 36 36 ddd 1H J 38 65 122 | 35 34 ddd 1H J 38 63 122 | 25 24 m 2H | 20 18 m 4H | 18 18 m 1H | 18 17 m 1H | 17 16 m 1H | 16 16 m 2H | 15 14 s 7H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CC(CC(=O)O)c1ccc(OCCCOc2cccc(C)c2)cc1
ir: 1 1 1 2 1 2 1 1 7 6 4 4 10 6 9 3 3 11 6 20 31 9 24 8 6 5 3 2 2 1 2 1 0 2 1 1 2 1 1 2 1 3 1 2 6 12 16 6 1 2 3 2 6 5 8 19 12 3 2 2 1 1 1 2 3 2 3 3 6 5 5 5 6 4 4 2 5 4 22 73 3 0 9 8 5 3 1 4 3 4 6 2 0 3 5 2 2 6 2 3 1 1 3 2 0 2 3 2 2 4 9 3 3 1 2 2 2 2 1 10 2 8 4 3 1 7 4 5 2 2 1 2 5 2 2 2 0 2 2 4 9 3 3 17 30 8 9 5 10 6 4 2 10 8 8 7 1 0 0 1 6 3 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 4 4 3 1 2 3 3 2 3 6 4 15 6 33 57 29 4 2 3 1 2 1 4 16 100 8 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 71 t 1H J 77 | 69 68 m 3H | 68 68 m 1H | 68 67 t 1H J 21 | 42 41 m 5H | 30 29 m 1H | 28 27 m 1H | 23 23 m 2H | 23 22 p 2H J 65 | 18 18 d 3H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cncn23)C1
ir: 0 1 1 2 7 8 1 2 0 1 1 4 2 1 4 5 0 1 1 0 0 1 2 1 1 1 2 4 3 2 3 6 4 8 19 4 7 10 16 8 6 15 3 1 5 6 3 3 2 3 10 6 6 1 3 3 2 1 7 6 2 3 2 4 4 4 23 5 6 4 1 1 2 2 7 5 6 2 6 1 0 2 1 2 1 1 4 4 11 6 2 4 8 3 1 3 8 1 1 4 10 47 5 9 1 12 19 8 12 52 25 7 8 7 1 3 4 3 7 10 6 3 10 7 1 10 6 4 8 2 6 4 1 3 2 3 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 5 2 4 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 0 1 1 3 8 3 5 2 5 9 8 7 20 100 41 15 9 8 64 61 6 2 1 1 1 0 0 1 1 0 1 1 1 2 5 40 24 6 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 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 81 80 d 1H J 57 | 80 80 d 1H J 17 | 79 79 d 1H J 16 | 76 76 d 1H J 88 | 75 75 d 1H J 18 | 54 53 dqd 1H J 18 64 83 | 42 42 ddh 1H J 14 28 43 | 37 36 dd 1H J 11 106 | 36 35 m 1H | 35 34 m 2H | 32 32 d 3H J 14 | 22 21 dddd 1H J 27 51 69 124 | 19 19 ddt 1H J 48 69 130 | 15 14 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
ir: 10 30 1 12 9 7 5 11 29 17 8 6 3 1 1 3 2 4 2 2 2 1 1 2 1 2 2 2 4 4 2 3 5 5 11 3 11 12 9 19 13 29 5 9 3 4 4 2 2 3 2 4 6 13 29 13 24 6 3 2 2 2 4 3 1 2 2 2 3 3 2 7 2 5 2 3 3 2 2 2 2 3 5 1 2 3 2 4 5 13 77 100 33 4 3 3 6 3 6 11 5 4 1 6 6 12 7 5 7 5 11 5 6 2 6 10 14 11 4 3 7 4 1 2 1 1 1 1 2 3 1 1 1 2 4 5 4 2 1 1 1 1 1 1 1 9 5 15 20 18 23 12 19 14 5 3 1 0 1 1 2 3 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 2 4 4 4 10 12 11 16 9 9 2 4 2 4 24 20 16 1 1 1 1 1 1 1 2 1 2 4 14 29 16 27 10 10 10 4 5 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H | 75 74 d 1H J 81 | 73 72 dd 1H J 21 80 | 72 72 d 1H J 21 | 42 42 q 1H J 33 | 30 29 q 2H J 62 | 16 16 q 3H J 33 | 13 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ncnc3ccn(C)c23)ccc1N
ir: 7 17 5 8 5 4 5 4 5 4 4 3 4 7 4 12 7 3 3 3 4 3 3 3 3 2 3 3 3 5 3 3 10 6 23 7 14 29 8 54 24 6 20 7 5 2 3 5 5 2 3 4 9 9 19 3 3 3 3 3 3 2 3 3 6 5 5 3 4 3 7 5 5 5 3 4 19 8 5 3 3 2 3 3 3 5 3 3 6 7 9 19 5 3 3 3 8 4 3 3 9 12 20 3 2 10 5 3 2 3 3 3 5 5 3 2 4 4 4 4 2 3 3 2 2 3 3 3 3 14 4 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 4 13 45 17 5 8 20 44 100 26 6 6 3 2 4 11 3 1 2 3 3 2 2 3 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 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 3 3 2 3 3 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 5 11 12 21 21 11 8 14 6 3 3 3 3 3 3 3 2 2 3 4 2 0 42 2 3 3 2 2 3 3 2 4 7 85 68 21 6 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 83 s 1H | 74 74 m 1H | 73 72 dd 1H J 22 86 | 69 69 d 1H J 86 | 67 67 d 1H J 22 | 64 64 d 1H J 49 | 43 43 s 2H | 39 39 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.
CC(C)C(=O)Nc1cc(C(C)NC(=O)N2CCc3cc(C(F)(F)F)ccc3C2)ccn1
ir: 2 1 2 2 2 3 2 2 1 2 2 1 1 3 3 2 2 2 2 2 5 4 8 7 4 2 3 2 3 4 3 1 4 4 3 10 5 30 19 13 8 25 2 3 2 3 2 2 4 11 7 3 2 2 5 5 6 4 2 1 2 3 2 1 3 4 5 12 21 7 3 4 4 4 5 2 2 2 2 2 2 3 3 3 2 2 3 6 3 7 6 18 22 5 6 2 3 5 17 8 13 3 2 1 2 2 3 3 3 3 5 6 6 25 7 5 3 3 4 3 5 3 4 3 3 11 3 5 3 4 4 2 2 2 3 4 2 1 2 1 1 2 7 6 8 30 12 100 14 20 27 47 75 12 8 5 4 0 1 3 3 2 21 2 2 1 1 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 2 2 3 5 6 3 8 9 10 8 21 12 3 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 5 5 6 5 19 56 41 17 6 3 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 s 1H | 83 83 d 1H J 42 | 75 74 ddt 1H J 13 25 75 | 74 74 m 1H | 74 73 tt 1H J 9 19 | 72 71 m 2H | 56 56 d 1H J 77 | 52 52 ddt 1H J 58 68 75 | 46 46 d 2H J 6 | 38 37 m 2H | 29 29 m 2H | 27 26 hept 1H J 65 | 16 16 d 3H J 60 | 11 11 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(OCc2cscn2)cc1
ir: 5 3 1 3 4 3 2 4 7 7 1 4 5 3 2 7 11 6 3 5 5 3 1 3 5 3 1 3 4 2 3 8 7 9 5 7 4 1 2 4 3 1 1 4 4 1 9 9 10 7 4 7 4 2 15 36 21 21 9 14 6 3 4 7 6 0 10 10 10 18 8 3 3 2 5 5 3 5 31 11 2 2 4 4 14 8 7 5 2 2 3 3 2 2 5 6 3 8 11 11 9 9 21 18 15 9 13 46 100 15 0 2 4 2 2 2 2 2 3 2 2 6 8 11 3 4 5 10 4 2 3 2 1 2 4 3 3 8 23 8 2 3 3 1 5 20 5 2 2 7 6 5 7 6 3 2 2 5 8 1 2 3 2 1 2 3 2 1 3 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 3 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 2 2 3 2 1 2 4 4 2 3 5 4 2 3 4 3 2 3 4 8 10 34 42 32 33 35 22 5 0 3 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 99 98 s 1H | 88 87 d 1H J 18 | 79 78 m 2H | 73 72 dt 1H J 8 17 | 70 70 m 2H | 51 51 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(C)c(N)c1
ir: 3 12 9 5 2 3 2 2 3 1 2 2 2 1 1 2 2 2 2 2 6 8 5 12 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 13 2 12 2 2 1 1 1 5 11 6 2 1 1 1 1 2 1 1 1 1 0 0 1 1 2 3 6 1 0 0 1 3 14 3 1 1 0 0 1 1 1 1 1 1 1 3 1 2 8 4 2 3 2 1 1 1 1 3 3 2 2 2 1 1 0 1 1 0 0 1 1 1 0 3 20 8 11 3 1 1 1 1 6 8 12 14 11 21 6 4 14 11 5 2 2 5 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 4 2 5 8 12 15 11 3 2 2 1 0 1 1 0 1 0 1 1 0 1 1 1 4 5 3 1 1 0 1 0 1 1 1 5 37 100 34 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 21 83 | 73 73 d 1H J 22 | 72 72 dq 1H J 10 83 | 44 44 q 2H J 64 | 41 41 s 2H | 22 22 d 3H J 9 | 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.
Cc1ccc(N(C)S(C)(=O)=O)cc1Br
ir: 2 5 23 34 3 5 2 2 1 4 8 1 1 0 0 1 2 12 2 6 3 1 1 1 1 2 1 1 1 0 0 1 1 2 3 1 5 5 2 1 1 0 1 0 0 1 1 3 1 0 0 1 1 3 33 3 1 1 4 11 2 0 1 2 1 3 13 7 5 40 9 6 7 4 5 4 3 2 3 5 2 4 4 8 2 4 18 61 45 11 10 7 3 18 4 2 2 3 4 3 45 46 100 20 15 5 1 1 1 0 0 1 1 1 0 1 1 2 7 5 5 5 11 3 2 6 1 2 1 1 0 1 1 0 0 1 1 1 0 1 5 10 1 0 0 1 1 0 2 11 9 6 5 7 1 0 0 0 0 0 0 6 10 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 2 4 3 0 0 1 1 1 1 3 3 4 17 15 14 8 13 28 17 6 3 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 d 1H J 22 | 71 71 dq 1H J 10 77 | 69 69 dd 1H J 22 77 | 34 34 s 3H | 29 29 s 3H | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOCCN
ir: 3 2 1 1 1 1 1 1 2 2 2 2 4 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 4 4 2 7 4 7 8 7 4 4 4 6 9 8 12 16 19 26 14 30 8 7 8 5 3 10 10 6 8 17 25 17 20 35 14 31 21 15 4 7 4 23 38 13 8 2 2 1 2 0 1 1 2 2 5 3 3 1 2 2 1 0 1 1 1 2 1 2 4 2 3 2 1 1 2 3 2 2 3 8 12 15 6 5 8 12 9 7 10 11 16 10 25 28 43 19 30 13 4 5 5 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 2 2 4 2 2 1 3 3 3 3 4 2 2 2 0 1 2 1 1 1 2 3 7 7 9 21 32 32 26 17 11 11 7 11 62 100 15 7 3 2 3 3 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 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; 1HNMR: 35 35 t 2H J 40 | 34 34 t 2H J 64 | 29 28 tt 2H J 39 70 | 16 15 dt 4H J 69 98 | 14 13 h 2H J 70 | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN1CCc2ccc(Nc3ncc(Cl)c(Nc4c(C)cccc4OCC#N)n3)cc2CC1
ir: 1 2 2 4 3 2 1 1 2 1 1 1 2 2 1 2 1 3 2 2 5 7 3 5 5 2 5 6 2 3 2 2 1 2 1 1 2 2 1 2 1 1 2 1 1 3 6 4 2 3 4 0 22 11 11 63 6 4 3 2 1 2 1 1 2 2 2 3 3 3 3 1 1 0 1 1 1 1 1 2 4 1 1 1 1 1 2 4 3 3 1 1 1 2 2 3 3 1 1 1 3 10 4 2 7 6 2 1 0 1 2 1 0 2 1 1 1 0 1 1 1 1 0 1 6 3 3 1 1 1 1 2 8 15 1 1 1 1 1 8 15 4 9 4 3 2 3 15 4 3 5 4 41 22 3 11 33 15 2 18 7 0 1 2 7 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 1 1 1 1 1 0 1 3 3 4 5 9 8 4 2 1 1 1 0 0 1 1 0 1 0 1 2 1 1 1 1 1 1 3 9 17 94 100 38 6 4 2 1 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 0 0 0 0; 1HNMR: 88 88 s 1H | 85 85 s 1H | 78 78 s 1H | 72 71 m 1H | 71 71 dd 1H J 22 77 | 70 70 m 2H | 70 69 dt 1H J 8 79 | 69 68 m 1H | 50 49 s 2H | 35 34 m 2H | 33 33 s 2H | 29 27 m 9H | 27 27 t 2H J 59 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@@H]2OC(=O)[C@H](C)N2C(=O)COc2ccccc2)cc1
ir: 3 2 2 2 2 2 1 3 3 3 1 5 4 5 1 3 5 2 3 2 1 1 3 3 14 3 5 2 3 1 3 4 12 1 0 1 1 1 1 14 6 16 9 4 8 1 3 4 5 5 4 4 3 2 3 15 21 2 2 3 3 3 3 8 4 2 9 1 5 1 5 2 4 2 3 2 3 14 9 10 4 1 1 1 1 1 3 5 2 1 1 3 4 9 3 4 2 5 9 5 2 2 2 3 9 9 13 4 1 1 2 1 4 5 1 10 10 4 3 8 6 4 3 1 3 2 2 5 2 2 3 1 11 17 12 3 4 2 1 1 1 2 12 20 78 40 12 6 22 23 6 13 4 5 3 1 1 1 1 3 1 1 7 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 1 2 2 0 1 1 1 1 1 2 3 6 7 4 2 24 12 29 100 19 14 5 3 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 4H | 70 69 m 3H | 69 69 m 1H | 69 69 m 2H | 48 47 m 2H | 45 44 qd 1H J 15 74 | 38 38 s 2H | 14 14 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c2c(c(Br)[nH]c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O
ir: 7 5 1 4 6 4 1 3 3 4 3 3 2 2 2 10 4 2 2 1 2 2 9 2 3 3 4 7 4 4 3 4 2 2 3 5 1 5 5 1 1 3 4 0 3 13 23 26 34 6 5 6 9 7 27 20 3 4 2 3 4 2 3 11 3 3 10 7 4 8 3 3 2 3 2 3 2 2 2 3 2 9 41 5 2 5 4 3 2 2 2 19 8 2 4 5 6 10 10 4 1 2 3 2 1 1 2 2 1 2 2 3 8 4 5 2 1 3 6 8 8 4 4 5 8 6 7 4 2 4 4 3 2 5 5 2 2 3 35 30 3 3 3 4 10 1 2 5 9 19 100 4 9 3 2 2 14 5 2 0 2 38 4 3 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 2 2 2 2 2 2 3 2 2 3 5 7 7 16 27 12 6 4 2 2 2 2 3 2 1 2 2 2 1 2 2 1 1 4 3 1 2 8 20 52 27 6 1 2 3 5 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 74 74 ddt 1H J 9 20 31 | 73 72 dddd 1H J 10 21 39 76 | 71 70 dd 1H J 81 101 | 46 46 d 2H J 9 | 40 39 s 3H | 35 34 m 2H | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(Cl)cc(C)nc1Cl
ir: 100 38 23 13 16 28 7 3 2 9 40 44 6 3 2 2 2 24 5 5 4 21 10 7 3 1 1 1 1 1 1 1 2 2 2 2 13 13 40 8 1 1 1 2 2 1 2 1 1 1 1 3 5 3 2 3 3 9 6 8 4 0 4 4 3 7 27 29 10 5 7 50 18 4 7 26 6 6 6 7 2 2 1 1 1 1 0 1 0 1 1 1 0 1 2 17 5 2 1 2 1 3 14 3 2 11 57 33 9 6 1 6 4 3 9 7 3 2 3 2 2 2 1 4 3 5 11 8 4 3 8 36 42 3 0 1 1 1 0 13 32 28 14 35 17 29 33 24 63 38 27 7 3 2 3 3 12 74 1 3 1 0 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 3 1 1 1 3 4 4 6 3 7 2 3 9 4 2 14 43 31 14 11 9 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 71 70 s 1H | 39 39 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H]1Cc2cc(Oc3ccccc3)cnc2N(O)C1
ir: 6 6 2 3 3 5 2 7 6 5 7 4 3 4 3 1 3 3 3 2 1 2 1 3 4 3 3 1 3 3 3 7 2 4 12 10 26 13 13 7 23 8 100 6 5 8 5 1 2 2 1 6 5 3 1 2 3 3 4 14 44 27 40 71 89 13 10 25 20 10 3 9 33 17 7 15 10 10 11 3 7 54 15 10 9 3 3 6 65 74 22 19 13 16 20 22 10 14 8 4 2 3 3 1 1 1 1 1 5 4 2 3 10 10 5 4 3 1 0 2 3 4 25 18 9 9 18 20 20 10 8 15 28 63 16 23 13 9 47 16 4 5 12 44 6 3 2 5 38 39 4 11 3 5 14 2 1 1 3 2 2 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 4 4 6 3 2 4 2 5 11 14 23 46 49 6 11 5 2 4 4 8 25 4 10 15 13 19 35 37 25 4 7 6 6 60 76 12 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 79 78 d 1H J 18 | 73 72 m 2H | 70 69 m 2H | 70 69 m 1H | 67 67 dt 1H J 8 17 | 39 39 dd 1H J 33 143 | 37 37 dd 1H J 60 143 | 35 33 m 1H | 30 29 ddd 1H J 9 46 167 | 28 27 ddd 1H J 9 73 167 | 24 24 d 2H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(Cl)nc1CC
ir: 8 13 16 6 4 5 5 4 7 3 3 5 36 45 8 17 9 5 9 5 9 5 2 2 2 2 3 2 2 1 2 3 2 1 1 2 2 2 4 3 2 2 1 2 2 2 3 3 2 1 1 2 2 1 2 2 2 4 2 1 1 6 5 10 4 1 2 2 2 6 5 2 18 12 30 24 6 2 1 1 6 12 7 2 1 3 25 29 5 2 1 1 3 19 15 6 2 4 6 3 1 2 3 2 2 4 5 8 6 8 23 38 14 27 18 9 8 9 19 100 9 33 28 12 2 4 4 2 8 9 4 2 1 1 1 1 1 4 7 23 7 10 14 11 18 32 18 25 65 12 11 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 4 7 5 7 7 4 6 8 6 4 6 4 4 10 51 50 8 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 43 42 q 2H J 64 | 30 29 q 2H J 69 | 14 13 td 6H J 18 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C2(CCCN3CCc4ccccc4C3)OCCO2)cc1
ir: 1 1 1 2 6 1 1 1 1 1 1 2 0 2 2 4 2 1 1 1 1 2 2 2 0 1 1 1 1 1 6 0 1 2 13 2 1 5 3 3 32 15 1 3 4 0 0 2 2 2 2 1 1 3 38 10 18 3 3 6 3 3 9 7 3 2 3 3 4 12 3 4 2 2 2 1 1 1 2 1 2 26 9 23 12 15 3 1 6 6 7 3 3 4 2 1 2 2 4 6 11 5 7 5 3 1 1 2 3 2 4 4 8 31 10 3 2 1 6 3 2 1 2 2 4 9 8 6 3 4 6 12 8 1 1 1 2 6 4 3 3 10 1 2 1 0 3 42 13 11 2 1 11 3 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 2 3 1 1 1 1 2 1 5 10 11 7 13 100 18 7 3 1 4 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 71 m 4H | 71 71 m 2H | 40 40 m 2H | 39 39 s 2H | 38 38 m 2H | 29 28 m 2H | 28 27 dd 2H J 46 52 | 27 26 t 2H J 59 | 22 21 t 2H J 84 | 18 17 tt 2H J 59 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
ir: 23 22 9 21 3 7 3 4 4 16 44 18 13 4 1 2 2 1 0 2 2 1 4 3 1 1 0 1 1 1 3 2 2 2 3 9 6 4 16 12 9 9 5 5 2 2 3 5 1 1 2 2 1 1 3 10 7 4 6 4 3 3 6 4 4 3 3 3 2 2 2 1 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 4 3 3 4 3 2 6 6 2 2 1 4 18 12 15 8 16 12 9 13 4 6 13 8 12 10 15 29 64 29 19 16 17 11 13 20 23 24 17 25 17 16 5 4 3 1 2 2 1 1 4 9 33 97 75 16 14 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 5 9 7 9 15 8 5 6 5 6 17 8 30 29 100 27 7 7 3 1 2 2 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 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 0 0 0 1 0 0 0 1 0 0; 1HNMR: 32 31 t 1H J 72 | 19 18 td 2H J 71 86 | 15 14 dtd 2H J 70 80 89 | 14 14 s 16H | 14 12 m 23H | 9 8 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1c(C=O)c(OC)c(OC)c(OC)c1OC
ir: 7 4 8 3 4 4 3 10 5 6 6 10 3 8 11 28 14 11 15 3 10 14 25 11 14 10 9 8 4 14 9 6 4 3 3 3 2 2 1 2 2 1 2 4 4 7 4 7 7 3 7 0 7 7 9 9 7 9 21 15 18 100 23 6 8 15 26 37 18 22 54 36 22 33 37 62 15 30 19 6 4 3 2 5 10 3 6 4 5 2 2 2 2 1 2 2 1 2 3 2 2 3 3 2 2 5 13 24 13 12 2 3 5 34 9 6 5 12 19 5 13 3 5 2 2 3 5 13 8 2 1 1 3 9 2 1 1 1 1 1 1 1 2 1 5 1 1 1 2 8 10 4 2 1 1 17 3 1 15 100 45 4 3 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9 3 2 1 1 3 3 2 2 3 2 4 4 26 32 8 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 51 51 s 2H | 40 40 s 6H | 40 40 s 3H | 38 38 s 3H | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc2ccc(OC)cc2c1N=O
ir: 4 1 1 2 4 3 2 3 7 5 16 23 31 21 8 11 13 7 4 6 4 12 7 7 17 9 4 4 4 4 3 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 3 5 8 4 3 0 1 4 9 47 33 17 4 1 1 8 7 8 5 13 7 15 5 6 3 0 1 2 5 2 1 1 1 1 1 2 2 1 2 2 0 0 1 1 1 1 2 2 0 1 1 1 1 1 3 8 2 1 5 19 3 2 3 3 1 2 13 10 3 4 5 1 3 2 3 4 6 21 3 2 3 2 1 3 3 6 22 21 10 17 9 1 1 2 2 1 1 1 1 3 33 4 10 37 7 44 3 2 3 6 12 7 6 3 1 0 1 1 1 0 20 5 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 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 4 3 2 34 100 8 3 4 1 1 1 1 2 1 1 1 2 1 1 2 2 2 3 3 6 5 4 66 75 96 45 20 24 8 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 79 79 dd 1H J 8 80 | 77 76 m 1H | 75 74 d 1H J 27 | 73 72 m 2H | 70 70 dd 1H J 28 88 | 38 38 s 3H | 31 30 d 3H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2Cl)c2c[nH]nc2N1
ir: 2 1 14 1 2 10 30 4 11 3 2 4 1 2 1 1 1 2 2 17 6 3 3 2 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 5 2 3 19 25 16 8 100 13 2 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 9 1 1 1 1 3 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 7 2 1 1 1 1 2 11 14 4 17 3 2 2 3 17 4 2 1 2 2 1 1 4 2 1 1 2 2 2 1 1 1 1 1 1 1 2 2 5 2 1 1 2 9 2 1 5 4 1 1 2 2 0 1 4 6 65 24 2 1 2 2 0 1 6 19 3 2 3 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 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 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 3 4 10 2 3 22 9 1 5 5 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 3 9 54 5 43 39 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 d 1H J 37 | 83 83 s 1H | 78 78 m 1H | 74 74 dd 1H J 14 77 | 73 73 ddd 1H J 7 16 78 | 72 72 td 1H J 15 79 | 72 71 td 1H J 14 78 | 57 57 p 1H J 9 | 24 23 d 3H J 9 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H]1CC[C@H](Oc2ccc3cc(Br)ccc3c2)CC1
ir: 2 2 3 2 2 2 3 2 2 3 5 13 9 4 6 4 3 5 6 4 4 2 2 2 2 3 4 2 2 2 2 2 2 3 2 3 2 2 6 2 2 2 2 2 3 4 4 2 2 3 2 2 12 44 51 22 5 4 6 3 3 2 4 4 4 4 10 50 17 10 6 4 4 4 18 9 4 6 6 5 2 3 2 8 4 2 2 2 10 5 17 3 2 3 2 4 3 3 2 5 6 6 14 86 24 7 0 6 9 5 4 14 9 7 6 4 10 13 6 22 1 4 5 5 8 4 5 3 6 4 5 4 5 2 2 4 3 2 2 3 3 2 2 10 25 4 3 3 3 2 2 3 4 4 24 14 8 22 11 9 4 2 2 3 2 2 2 3 6 2 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 3 2 2 3 3 4 3 5 5 6 5 6 4 7 7 6 9 7 28 18 100 90 55 14 18 5 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 81 81 t 1H J 27 | 79 78 dd 1H J 21 83 | 78 77 ddd 2H J 23 87 139 | 71 71 t 1H J 23 | 70 70 dd 1H J 24 86 | 45 44 tt 1H J 38 65 | 20 19 m 2H | 17 15 m 5H | 15 14 m 2H | 14 13 m 1H | 9 8 ddd 6H J 15 66 183
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NC1CCC2(CC1)OC(=O)c1ccccc12
ir: 7 7 7 7 9 8 11 10 15 14 11 25 9 9 8 8 8 7 6 8 8 6 6 7 7 6 6 8 9 9 7 8 7 6 6 8 8 5 6 9 8 0 100 91 9 10 8 6 7 8 8 7 7 7 8 8 7 7 8 7 8 8 7 7 8 8 7 10 9 7 12 11 7 7 8 11 10 12 11 9 9 11 7 7 7 7 8 8 7 7 7 7 7 7 7 8 7 16 9 9 7 7 7 7 7 7 7 8 9 8 17 17 16 11 17 17 11 15 12 12 26 17 7 11 9 9 11 15 16 11 8 9 10 12 8 10 14 34 11 7 7 7 7 7 7 8 8 11 15 9 38 29 9 6 10 10 7 6 15 13 6 6 7 7 7 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 6 6 6 6 7 7 19 6 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 6 6 7 7 7 6 6 7 7 7 7 8 7 7 11 9 11 10 9 8 8 8 10 21 16 12 32 76 41 12 8 8 7 7 7 7 7 7 7 6 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 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 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 7 6 6 6 7 6 6 6 7 6 6; 1HNMR: 78 78 dd 1H J 16 71 | 76 75 dd 1H J 13 77 | 75 74 td 1H J 13 69 | 73 72 ddd 1H J 15 69 77 | 35 35 p 1H J 65 | 25 24 ddd 2H J 69 95 139 | 23 22 ddd 2H J 68 95 141 | 20 19 ddt 2H J 66 95 123 | 17 16 ddt 2H J 66 95 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1O
ir: 9 7 6 6 8 12 12 9 9 8 9 13 12 11 14 9 8 10 11 18 11 23 13 25 20 12 13 13 8 9 11 10 8 11 12 17 10 12 9 8 10 9 7 8 6 6 7 7 6 7 7 5 6 7 9 15 10 8 7 10 7 6 7 9 12 15 56 35 11 9 7 6 6 6 6 8 11 9 18 8 7 6 11 17 40 18 6 15 11 6 7 8 7 12 7 8 7 11 14 14 11 7 6 7 6 34 17 8 9 14 10 9 0 31 3 5 7 9 5 8 7 8 10 15 8 8 7 7 9 7 7 6 8 7 5 8 7 5 16 6 5 7 5 5 6 5 5 5 6 7 11 7 14 11 16 12 7 5 5 6 5 5 7 29 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 6 5 5 5 6 6 6 6 6 11 21 25 20 6 9 55 35 9 5 6 7 6 4 6 6 5 5 5 6 5 5 6 7 9 6 16 100 21 20 6 6 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 96 96 s 1H | 79 78 d 1H J 84 | 74 74 s 1H | 67 66 m 3H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(CCO)CCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21
ir: 37 7 3 3 5 4 2 2 2 3 1 9 10 7 2 3 7 13 8 7 3 5 9 3 14 10 12 4 15 4 4 24 21 5 13 10 7 67 15 61 100 21 22 15 6 8 8 34 41 3 3 6 3 2 3 7 14 4 2 2 4 2 2 2 2 6 13 30 20 5 2 3 3 10 2 4 1 1 3 3 3 5 3 4 6 3 13 13 9 16 43 26 20 32 8 13 29 8 57 25 20 38 8 12 18 32 14 10 1 1 3 1 3 33 16 7 14 12 7 3 3 6 3 3 1 1 8 4 19 2 1 1 1 1 1 0 1 2 12 12 11 6 4 15 6 2 3 2 2 2 7 19 7 14 7 69 45 35 9 3 1 8 5 9 5 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 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 1 1 1 1 1 1 1 2 1 2 1 7 5 6 3 4 1 2 3 3 4 24 18 33 50 23 11 10 16 7 6 6 21 21 2 1 2 1 2 1 2 2 1 1 1 2 5 4 8 13 94 48 4 2 2 2 1 1 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; 1HNMR: 85 85 s 1H | 82 82 s 1H | 75 75 dd 1H J 74 105 | 75 74 d 1H J 22 | 74 74 ddd 1H J 13 22 107 | 74 73 m 3H | 70 69 m 2H | 64 64 d 1H J 49 | 45 44 td 2H J 9 60 | 40 40 q 2H J 63 | 34 33 t 1H J 64 | 30 29 t 2H J 61 | 27 27 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)cc(C(=O)C=CC(=O)O)cc1Cl
ir: 2 1 1 1 1 1 1 1 2 9 5 2 4 5 12 14 1 2 4 3 9 100 19 5 3 0 1 4 7 2 0 1 1 1 2 4 7 11 7 2 2 1 0 1 1 0 1 1 1 0 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 6 6 2 3 3 2 1 1 1 2 6 36 50 14 2 2 4 27 9 22 5 2 0 1 1 1 1 1 1 0 3 8 1 0 0 1 1 0 1 1 1 0 1 1 2 4 2 5 11 3 2 2 2 3 4 4 9 6 8 3 1 0 1 2 0 0 1 1 1 1 2 4 2 0 1 2 1 1 8 47 51 6 2 1 2 1 1 5 2 1 0 1 1 3 1 0 0 1 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 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 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 6 18 15 5 1 1 1 1 1 1 1 6 33 9 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 4H | 70 70 d 1H J 170 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC(=O)OC(C)(C)C)c1cncc(-c2nc(=O)c3ccccc3s2)n1
ir: 10 8 6 5 2 6 6 10 5 37 22 15 9 63 100 6 0 4 7 5 4 5 4 2 2 4 7 8 26 14 5 8 2 3 2 3 6 4 9 4 37 31 7 8 2 6 2 2 2 3 2 0 5 4 2 1 2 2 2 1 4 13 6 14 5 14 6 1 13 4 7 9 15 3 2 4 4 6 8 6 7 8 16 12 14 14 20 4 7 4 5 6 8 4 3 2 3 7 4 10 6 2 1 3 2 4 17 9 4 3 2 3 3 19 70 6 25 14 14 11 18 19 18 42 23 8 7 11 4 27 36 10 8 6 9 4 6 12 12 67 7 2 2 5 10 10 14 31 2 1 1 4 63 1 7 5 3 2 2 5 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 0 1 1 1 1 1 1 0 1 2 1 1 1 2 3 3 2 2 2 2 3 2 1 1 2 3 5 16 13 20 8 69 25 5 3 3 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 90 89 d 1H J 16 | 80 79 m 2H | 79 79 d 1H J 18 | 77 76 td 1H J 16 72 | 76 75 td 1H J 17 69 | 43 42 s 2H | 34 34 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCc2c(sc3cc(OCc4ccccc4)ccc3c2=O)C1
ir: 3 2 1 4 3 3 10 4 3 2 2 2 3 2 1 2 2 1 2 2 2 2 2 2 3 1 2 3 8 8 7 4 5 3 2 3 4 3 5 17 28 6 23 9 20 6 5 16 6 0 2 7 3 0 6 10 8 4 2 4 2 1 2 4 2 16 12 11 11 6 4 3 3 1 2 3 2 4 3 6 2 1 2 3 1 1 2 2 2 11 4 4 4 2 3 6 11 7 4 3 2 2 3 3 7 9 3 3 3 3 7 7 4 2 4 3 3 3 4 6 15 6 6 3 3 9 5 5 4 6 9 7 2 3 5 10 8 5 7 2 2 3 6 21 7 6 3 2 3 14 2 4 4 4 14 16 3 3 2 1 2 7 81 2 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 3 5 4 3 3 4 6 3 4 7 9 15 34 100 19 9 8 2 3 3 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 d 1H J 86 | 74 73 m 4H | 73 73 m 1H | 73 72 d 1H J 24 | 71 70 dd 1H J 24 86 | 51 50 t 2H J 8 | 27 26 dddt 1H J 11 59 86 143 | 26 25 ddt 1H J 11 59 145 | 25 24 dddt 1H J 10 59 86 141 | 23 23 ddt 1H J 11 59 145 | 20 19 ddtt 1H J 15 28 58 100 | 19 18 dddd 1H J 58 70 86 128 | 16 14 m 2H | 13 12 dqd 1H J 58 73 130 | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(c2cccc(Oc3cccc(C=O)c3)c2)CCCCN(C)C1=O
ir: 2 4 4 8 9 5 7 2 1 1 1 0 0 1 1 2 1 3 2 1 1 3 1 0 1 1 3 1 1 5 12 15 17 10 5 39 18 3 2 11 10 2 3 5 4 3 91 57 58 9 3 0 0 1 2 1 3 8 3 5 10 5 2 1 2 1 3 17 13 19 7 2 2 3 4 3 4 3 3 8 4 6 2 1 1 4 4 3 3 7 9 1 3 3 4 2 3 3 1 3 7 3 2 5 24 10 0 1 2 2 2 4 5 2 12 4 3 3 5 7 4 11 6 4 20 31 20 8 5 4 4 4 7 4 4 3 5 3 8 20 18 41 4 5 6 1 4 66 49 10 5 2 10 6 5 5 7 5 3 1 1 2 11 6 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 9 2 1 2 2 4 2 2 3 1 2 2 3 8 13 19 48 100 34 8 4 6 2 3 1 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 77 76 dt 1H J 23 78 | 75 74 t 1H J 77 | 74 74 dd 1H J 19 26 | 73 73 t 1H J 76 | 71 71 m 2H | 70 70 ddd 1H J 12 21 75 | 69 69 t 1H J 21 | 34 33 m 2H | 30 29 s 2H | 23 22 ddd 1H J 78 86 140 | 22 21 dq 1H J 79 143 | 21 20 dt 1H J 82 140 | 19 18 dq 1H J 78 141 | 18 15 m 3H | 15 14 m 1H | 9 8 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(c1nnn[nH]1)c1ccccc1COc1cc(C)ccc1C
ir: 12 6 0 7 14 6 2 14 19 7 2 7 10 5 3 8 14 5 9 9 9 4 3 8 9 4 4 9 9 4 3 10 12 12 5 10 9 4 7 15 10 6 10 19 17 4 46 90 13 3 7 12 11 10 8 13 6 0 7 13 7 2 8 13 8 3 11 13 15 7 12 15 17 3 10 12 5 2 8 9 3 3 8 8 4 3 14 9 5 36 24 10 5 6 12 12 3 6 13 9 6 16 11 7 1 6 14 72 9 6 11 8 4 6 11 7 2 16 53 10 4 7 12 8 4 10 12 6 4 10 12 5 6 8 10 4 4 14 11 15 19 16 10 5 7 10 12 22 11 21 10 4 5 21 17 25 6 10 7 3 6 21 9 5 5 10 6 1 6 11 6 1 6 10 5 2 6 10 5 2 6 9 5 2 6 9 4 2 7 9 4 3 7 8 4 3 7 8 4 3 8 7 3 4 8 7 3 4 8 7 3 4 9 7 2 5 9 6 2 5 9 6 2 5 9 6 2 5 10 6 2 6 9 5 2 6 9 5 2 6 9 5 3 7 8 4 3 7 8 4 3 7 8 4 4 7 7 4 4 8 7 3 4 8 7 3 5 8 7 3 6 10 7 3 6 12 7 3 6 11 8 4 7 12 11 9 57 100 19 7 9 11 8 3 8 10 6 3 7 10 6 3 8 9 5 4 8 9 4 5 9 9 7 75 62 12 5 13 9 7 4 4 8 7 3 5 8 6 3 5 8 6 3 5 8 6 3 5 9 6 2 5 9 5 2 6 9 5 3 6 8 5 3 6 8 5 3 6 8 5 3 7 8 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3; 1HNMR: 76 75 dd 1H J 15 72 | 75 74 m 2H | 74 73 m 1H | 70 70 dq 1H J 11 75 | 67 66 m 1H | 66 66 m 1H | 54 53 d 2H J 10 | 40 40 s 3H | 23 23 d 3H J 9 | 22 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Cl)cc(C(=O)O)c2c1CC(C)(C)O2
ir: 6 5 4 5 6 5 6 5 7 5 6 7 8 19 6 9 9 5 4 10 13 0 83 32 6 11 11 5 5 6 8 5 5 7 6 5 5 7 11 7 6 7 6 6 6 6 5 5 5 6 5 5 5 6 6 5 6 6 6 6 6 8 10 9 7 6 5 8 8 6 5 5 7 6 6 5 8 42 14 11 10 7 5 5 5 5 5 5 7 7 7 8 10 6 5 5 5 5 5 5 5 14 9 6 5 6 6 5 6 5 5 6 17 16 5 5 5 7 5 8 12 8 6 6 7 10 6 7 9 8 5 5 5 5 5 5 5 5 5 5 6 6 5 7 50 100 6 5 9 7 6 5 16 6 5 5 5 5 5 5 5 8 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 5 6 5 6 6 6 5 5 5 5 5 7 12 8 9 9 8 6 6 5 5 5 5 6 21 81 8 6 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 78 78 s 1H | 38 38 s 3H | 31 31 s 2H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@H](Nc2ccnc(Cl)n2)C1
ir: 5 9 14 18 15 17 15 8 15 17 13 10 5 3 1 5 7 5 7 6 10 6 4 3 6 4 6 6 6 5 5 4 15 17 22 48 42 39 10 5 2 2 3 5 31 22 4 2 1 3 2 1 2 2 2 5 3 3 1 1 2 3 4 1 3 3 3 1 2 2 2 2 11 7 3 3 2 1 2 1 2 2 1 0 1 1 1 1 1 2 2 2 2 2 2 1 2 1 1 1 3 5 8 48 41 18 6 6 9 20 16 6 2 5 22 7 2 6 0 4 3 4 7 6 2 3 1 3 10 4 18 13 8 34 5 2 2 30 37 4 2 1 6 5 24 79 23 36 20 23 49 98 12 4 2 5 11 100 10 2 4 2 2 1 1 2 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 2 2 1 2 2 3 1 2 1 1 2 2 5 8 17 8 3 7 17 4 2 1 2 2 2 0 1 1 1 1 1 1 1 1 1 2 1 1 2 8 4 14 33 42 48 16 7 2 1 2 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 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: 82 81 d 1H J 40 | 64 64 d 1H J 38 | 59 59 d 1H J 79 | 42 41 ddddt 1H J 18 27 37 46 64 | 38 38 dt 1H J 12 116 | 36 35 m 2H | 35 34 dddd 1H J 17 52 70 127 | 23 22 dddd 1H J 27 53 73 124 | 20 19 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(Cl)c(-c2c(F)cc(F)cc2F)c(N2CCCC(C)O2)n1
ir: 8 5 5 5 5 5 4 4 4 4 5 5 4 4 4 4 4 5 4 4 4 6 4 7 5 4 7 4 4 4 4 5 4 5 5 4 5 4 4 4 4 4 4 4 4 6 5 6 5 10 29 100 10 15 5 6 5 4 5 19 5 4 4 5 5 6 20 40 7 6 4 4 6 5 5 5 4 5 6 4 5 4 4 4 4 4 4 4 4 4 5 4 4 5 4 5 6 4 4 4 4 5 5 5 5 5 8 7 5 5 6 5 8 7 6 14 4 7 8 5 4 5 5 5 6 5 5 4 4 5 6 6 5 5 63 4 4 6 5 5 7 12 7 0 10 7 7 38 76 12 17 13 6 4 21 5 4 4 4 4 10 4 4 5 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 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 5 6 5 4 5 5 5 5 5 10 16 11 6 12 27 6 5 4 6 5 5 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 70 69 ddd 2H J 10 114 122 | 38 36 m 3H | 26 25 s 2H | 21 20 m 1H | 19 18 m 2H | 17 16 dddd 1H J 47 66 90 133 | 13 12 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCC[C@H]3C)nc2c1
ir: 1 2 8 3 3 3 11 25 11 22 10 2 4 4 1 1 2 7 4 20 19 13 4 10 9 66 6 14 2 2 3 2 4 5 4 19 4 3 2 1 2 2 2 2 9 4 2 2 2 2 8 3 22 74 22 26 15 33 11 4 15 8 3 0 10 100 16 6 44 56 17 4 3 3 7 2 1 3 2 2 1 1 1 1 1 2 2 2 3 16 8 15 36 7 4 7 2 3 4 3 6 11 11 27 6 76 31 19 20 56 22 7 8 5 5 31 10 11 10 8 17 8 7 5 19 15 12 26 22 10 20 5 2 2 2 2 2 1 1 2 3 19 4 54 2 78 22 2 3 5 48 3 19 12 71 4 2 6 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 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 2 2 1 2 2 3 3 3 3 2 3 4 3 8 21 43 18 94 45 19 9 7 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 dd 1H J 8 19 | 82 81 m 2H | 77 77 dd 1H J 18 88 | 75 74 d 1H J 19 | 70 69 d 1H J 88 | 61 60 m 2H | 42 41 ddtt 1H J 17 32 69 101 | 39 39 s 2H | 38 37 m 1H | 36 36 m 1H | 21 18 m 3H | 18 17 m 1H | 13 12 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1NS(C)(=O)=O
ir: 2 3 5 16 3 6 6 8 2 6 13 9 7 3 4 3 4 3 3 6 6 7 5 2 2 3 6 6 9 9 7 8 5 4 7 9 11 12 21 18 25 16 10 21 6 8 9 2 6 13 6 4 4 18 33 5 8 4 13 2 3 2 2 2 3 4 4 5 9 40 41 11 10 8 4 4 2 3 2 2 2 3 5 4 3 3 7 52 40 13 3 2 4 6 3 3 7 6 14 22 9 10 15 29 7 5 2 2 5 3 1 5 10 6 11 24 27 33 30 14 10 12 21 19 10 9 5 3 4 5 4 3 8 8 5 8 11 6 5 4 2 3 2 3 4 23 14 38 50 1 3 5 6 1 2 6 3 0 1 3 2 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 1 2 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 4 1 1 2 2 3 3 3 3 3 3 6 4 17 19 11 19 44 13 7 5 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 8 23 42 100 9 7 2 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 1 1 1 1 1 1 1 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 0 1 1 1 0 1 2; 1HNMR: 78 77 s 1H | 76 76 d 1H J 19 | 74 73 m 2H | 73 72 m 2H | 72 71 m 2H | 39 38 ddd 2H J 57 84 123 | 34 33 ddd 2H J 57 84 121 | 30 30 s 2H | 29 28 tt 1H J 50 62 | 23 23 d 3H J 9 | 22 21 ddt 2H J 56 84 130 | 20 19 ddt 2H J 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCN(c2ccccc2)CC1
ir: 4 3 2 5 3 4 7 5 8 3 6 5 7 5 5 4 3 9 3 7 6 5 3 5 2 3 2 3 2 0 5 4 2 2 4 7 1 2 3 4 8 100 2 2 1 2 3 4 2 2 3 1 2 19 14 9 9 12 4 1 1 2 2 2 2 5 7 13 8 22 5 4 1 2 1 3 2 1 2 3 5 8 2 8 9 2 5 6 19 49 19 7 2 2 1 3 2 4 5 6 6 3 5 3 2 1 1 1 2 1 2 2 3 2 2 1 0 2 3 2 1 2 4 3 6 4 27 6 0 1 1 1 1 1 2 11 4 1 1 0 1 1 3 4 13 13 3 2 2 15 16 4 15 4 3 1 1 1 1 0 1 8 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 2 0 0 1 1 1 2 3 6 12 22 83 21 13 2 2 1 3 11 18 7 4 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; 1HNMR: 81 80 dd 1H J 50 84 | 75 74 m 3H | 73 72 m 2H | 72 71 s 1H | 71 71 m 1H | 71 71 s 1H | 69 69 m 2H | 69 68 tt 1H J 13 77 | 42 41 dd 1H J 57 119 | 40 40 m 1H | 39 38 dd 1H J 58 120 | 36 36 d 1H J 64 | 33 32 t 4H J 43 | 29 28 dd 1H J 56 120 | 28 27 m 4H | 27 26 dd 1H J 56 120
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](Cc1cscn1)C(=O)N1CCC[C@H]1C(N)=O
ir: 4 9 9 8 6 17 7 29 12 11 9 12 10 7 7 8 7 5 10 3 3 5 4 2 2 5 3 3 2 2 2 5 2 5 5 5 1 2 4 2 1 3 3 2 1 6 7 14 6 7 4 0 2 7 3 1 4 7 4 0 5 15 6 2 4 13 4 1 1 4 2 3 1 2 3 1 4 11 7 8 5 3 1 1 2 4 7 7 16 5 2 3 2 3 1 4 3 10 4 10 15 5 6 3 5 22 11 27 34 14 7 21 11 9 4 9 2 9 7 9 15 14 12 8 8 16 8 10 29 15 22 9 3 2 2 2 2 5 3 3 9 27 11 11 19 34 17 8 3 1 1 1 2 5 11 4 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 2 2 1 2 3 5 6 3 5 8 6 11 6 5 8 7 7 16 17 86 23 17 13 27 100 10 4 2 3 2 1 1 2 1 0 2 2 0 0 1 6 2 1 3 3 9 34 8 3 2 1 2 14 5 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 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 d 1H J 18 | 72 72 dt 1H J 9 18 | 66 66 s 2H | 60 59 d 1H J 88 | 47 46 dt 1H J 64 86 | 43 43 ddt 1H J 17 36 52 | 36 35 ddd 1H J 35 54 119 | 35 34 dddd 1H J 18 36 55 119 | 32 32 ddd 1H J 9 65 148 | 30 29 ddd 1H J 7 64 147 | 23 22 dddd 1H J 33 49 70 130 | 20 18 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(OS(C)(=O)=O)C(=O)O
ir: 12 6 6 6 12 7 13 11 8 5 5 7 7 7 5 7 9 13 9 7 24 73 50 44 11 5 4 8 7 4 5 5 5 10 6 6 5 4 5 6 5 5 6 7 5 4 4 7 10 10 10 6 5 4 4 6 5 5 9 7 5 5 5 6 4 4 5 8 19 16 12 8 34 58 37 12 9 10 22 40 33 20 6 8 5 5 9 95 66 40 0 3 6 5 4 5 9 7 6 14 33 26 35 9 6 4 6 6 6 5 7 4 4 5 5 4 4 5 5 4 5 12 13 7 7 6 5 5 6 5 5 4 4 4 4 4 4 4 5 4 4 5 12 13 11 10 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 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 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 5 5 5 8 4 4 4 5 5 4 5 6 5 5 7 7 12 17 7 8 5 4 5 6 4 2 5 24 93 100 100 7 6 6 4 3 5 5 4 4 5 5 4 4 5 5 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 4 4 4 4; 1HNMR: 74 74 s 1H | 51 50 q 1H J 70 | 31 31 s 3H | 15 15 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H]1CCC[C@@H]1c1ccn(C2CCCCO2)n1
ir: 11 11 28 13 5 16 5 9 4 5 7 7 5 3 3 4 1 6 5 7 8 5 5 3 2 3 5 2 3 4 5 3 2 13 13 6 8 5 5 2 2 5 6 8 4 5 7 27 61 43 76 19 12 9 5 12 10 15 6 4 12 14 10 5 7 3 4 10 8 16 32 24 10 8 5 28 39 7 8 6 5 6 8 14 42 100 50 42 82 18 18 26 32 9 18 31 48 33 12 10 13 8 4 5 14 8 11 21 12 8 21 23 12 10 30 14 16 16 13 11 6 7 4 18 34 8 11 9 10 9 12 12 27 8 5 3 3 1 2 5 26 5 2 7 10 6 43 8 10 3 8 6 14 9 23 22 5 3 2 3 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 2 1 2 3 3 4 9 9 17 8 15 10 8 13 7 14 30 79 57 28 15 17 29 37 33 47 16 17 49 67 14 11 6 1 4 3 2 1 3 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 74 dd 1H J 7 35 | 61 61 m 1H | 58 57 m 1H | 42 41 qdt 1H J 18 36 54 | 39 38 ddd 1H J 33 49 104 | 37 37 ddd 1H J 32 49 104 | 31 31 d 1H J 53 | 30 30 m 1H | 24 23 dddd 1H J 24 55 80 147 | 21 20 m 2H | 20 19 m 2H | 18 17 m 3H | 18 17 m 1H | 17 16 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc([C@@H]2C[C@H]2N(CC2CC2)C(=O)OC(C)(C)C)cc1
ir: 7 5 6 7 22 13 6 5 8 16 16 4 9 5 3 23 16 4 4 4 2 3 4 8 8 4 1 2 2 1 2 2 3 1 2 5 6 4 4 4 5 8 4 9 4 4 2 3 2 0 2 4 4 7 22 16 7 2 9 3 3 4 4 3 2 0 2 3 2 3 4 2 1 0 2 3 2 0 1 2 1 1 1 3 1 2 4 4 2 2 2 2 1 3 3 4 1 3 4 2 1 2 3 2 6 22 9 2 0 1 2 1 1 2 8 44 6 6 10 11 12 7 3 3 12 19 47 19 14 9 9 9 2 3 2 2 2 2 2 2 3 7 11 19 12 7 6 4 5 27 11 100 16 6 5 1 1 2 1 1 2 1 1 1 8 3 1 0 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 2 3 2 1 1 2 1 0 2 3 2 3 6 10 24 19 12 46 11 4 8 6 6 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 2H | 73 72 m 2H | 39 39 s 3H | 37 37 td 1H J 64 76 | 33 32 d 2H J 49 | 25 24 m 1H | 19 18 td 1H J 59 75 | 15 14 s 8H | 14 13 m 2H | 6 5 m 2H | 3 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc(Br)c(N[C@@H]2CC[C@@H](O)CC2)n1
ir: 4 3 2 5 11 11 10 12 9 4 3 2 2 3 1 1 1 2 2 5 3 2 2 2 3 3 2 2 3 2 1 1 1 1 1 4 5 19 17 10 16 4 3 2 2 1 1 1 2 1 1 1 1 2 1 2 2 7 4 2 2 2 2 2 1 1 1 1 1 2 2 2 1 1 2 2 4 3 1 1 4 3 2 1 5 7 7 13 22 7 5 3 3 2 2 2 2 4 3 1 1 1 2 1 1 2 2 2 1 3 26 11 7 2 4 7 1 5 1 2 2 3 5 4 3 3 4 2 1 2 3 4 2 2 2 2 3 8 6 2 2 4 59 3 1 2 1 2 2 0 6 100 5 9 4 64 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 1 2 7 9 4 1 1 1 1 1 1 1 1 3 7 3 1 1 1 1 1 1 2 2 1 2 2 3 4 5 30 27 6 4 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 s 1H | 58 58 d 1H J 82 | 38 36 m 2H | 29 28 d 1H J 59 | 26 25 s 2H | 19 17 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(I)ccc1N
ir: 4 13 10 5 3 3 1 3 6 6 8 7 4 6 7 4 6 11 4 6 15 17 9 18 13 19 21 5 9 9 6 8 9 8 8 4 2 6 6 3 21 79 23 9 48 21 3 7 4 2 4 3 8 10 21 12 28 9 4 1 2 3 1 6 3 2 1 5 8 4 10 2 1 1 5 1 1 2 5 1 3 3 3 11 10 2 1 1 2 15 4 2 5 7 2 3 2 4 2 3 6 2 1 1 1 1 0 1 3 3 3 4 2 3 2 2 5 3 5 9 17 14 5 9 12 3 4 3 3 2 5 3 2 3 1 12 1 3 0 3 2 7 65 10 19 23 9 16 12 7 6 26 10 23 4 21 45 75 7 3 4 1 13 23 13 1 1 1 1 0 1 1 0 0 1 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 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 1 2 1 3 3 3 2 8 17 31 58 28 7 9 4 5 1 1 1 1 1 1 1 1 2 1 1 2 8 27 3 3 5 13 23 24 18 9 6 11 34 100 15 8 3 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 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; 1HNMR: 80 80 d 1H J 21 | 77 76 dd 1H J 21 76 | 76 75 m 4H | 75 73 m 4H | 72 72 dt 2H J 9 84 | 69 68 s 2H | 66 66 d 1H J 76 | 47 46 dt 1H J 68 90 | 37 37 s 2H | 32 31 ddt 1H J 9 68 141 | 29 29 ddt 1H J 9 69 142
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CC2C(=O)OC(=O)C2C1
ir: 1 4 8 5 8 14 10 4 3 5 4 3 3 5 7 2 2 3 3 2 4 10 9 4 2 3 5 2 2 3 3 2 2 4 4 3 3 4 7 3 2 3 3 3 5 4 3 1 2 4 3 1 3 4 3 1 3 4 3 2 4 6 5 2 3 4 2 3 3 8 6 6 15 22 6 2 5 7 2 2 3 3 2 2 4 5 3 2 3 4 1 7 5 3 2 3 7 7 1 2 4 3 5 6 16 13 6 4 5 4 2 18 28 9 22 20 26 7 3 4 4 3 2 5 6 5 6 6 5 3 2 5 6 4 1 4 4 1 1 4 5 1 0 8 80 100 17 3 2 5 4 1 3 3 3 2 7 9 3 3 2 2 2 2 2 2 2 2 2 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 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 3 4 6 4 3 4 4 4 6 18 34 15 8 15 7 3 2 3 3 3 5 27 13 3 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 49 49 p 2H J 10 | 33 32 tt 2H J 16 29 | 26 25 dddt 2H J 10 18 27 141 | 24 23 dddt 2H J 10 19 27 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc(C=O)c(NC[C@H](C)O)n1
ir: 2 4 3 2 5 3 2 2 4 2 3 3 3 5 10 7 5 6 6 3 4 4 15 6 5 5 3 7 6 19 8 5 3 2 2 3 5 13 51 100 14 26 13 5 3 5 3 1 3 3 2 3 1 2 2 2 2 3 3 5 4 2 3 17 4 3 2 1 2 2 2 1 2 2 3 2 3 2 1 1 1 2 1 1 4 1 2 2 2 2 3 2 3 4 13 10 5 4 3 2 5 2 1 2 7 5 5 3 2 3 1 22 2 2 6 3 2 5 1 2 3 3 4 2 2 2 2 10 10 4 5 4 2 2 1 2 2 3 12 3 2 2 19 2 1 2 2 2 2 2 2 3 8 75 63 2 2 3 3 0 31 40 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 5 10 4 2 1 2 2 2 28 40 5 4 2 2 2 2 1 2 2 1 1 2 2 1 2 11 10 11 22 28 21 6 2 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 s 1H | 82 81 t 1H J 60 | 40 39 dddd 1H J 12 49 61 111 | 37 36 ddd 1H J 49 60 145 | 35 34 ddd 1H J 49 60 145 | 29 29 d 1H J 49 | 26 25 s 3H | 12 12 d 4H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2c1c1c(n2C)CCCC1=O
ir: 7 4 2 4 7 4 3 12 22 21 2 6 7 4 0 5 19 13 6 17 24 14 4 4 5 2 2 5 4 1 3 9 15 12 2 6 5 2 3 16 52 46 7 12 14 4 26 28 15 3 6 24 21 4 8 17 4 0 6 6 3 1 6 6 3 2 6 10 8 7 4 6 3 2 6 8 4 3 7 18 6 4 6 4 1 1 4 5 4 16 9 10 5 7 15 11 4 6 15 7 1 3 7 4 1 4 7 4 1 4 8 8 10 15 18 12 69 47 13 21 4 9 10 4 5 5 7 8 4 4 5 3 1 5 52 65 4 8 19 60 65 14 6 7 15 11 12 12 8 7 8 4 3 3 36 3 4 7 17 14 14 5 3 1 3 5 3 1 2 5 3 0 3 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 3 2 2 4 3 3 4 4 4 5 6 7 7 8 5 5 5 3 5 18 20 8 7 100 39 10 8 7 3 1 4 5 3 2 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 79 79 dd 1H J 12 74 | 75 74 dd 1H J 11 68 | 73 73 m 1H | 39 39 s 3H | 37 37 s 3H | 30 29 m 2H | 27 26 m 2H | 20 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(C)CCN(c2c(Br)c(C)nc(C)c2[C@H](O)C(=O)OC(C)C)CC1
ir: 4 4 8 5 6 5 4 4 4 4 3 5 4 3 5 4 5 6 6 4 5 6 13 7 6 7 12 11 7 19 8 7 7 10 11 5 3 3 3 3 5 8 10 4 3 3 4 4 4 4 4 4 3 4 4 6 6 4 3 5 4 6 3 4 3 3 3 5 11 9 3 3 4 3 3 3 8 4 4 4 5 5 5 3 3 4 9 10 5 3 8 5 12 6 9 9 9 28 26 22 7 6 4 6 4 5 4 3 6 5 3 4 3 3 4 4 6 7 6 6 5 3 4 4 4 5 4 8 6 6 4 5 7 6 5 4 4 4 3 3 3 3 3 4 10 7 4 4 4 2 100 5 4 3 83 0 2 4 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 3 2 2 3 2 2 3 3 2 2 2 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 3 3 3 3 3 3 3 4 5 4 4 3 3 4 4 4 4 4 5 5 7 12 27 14 4 3 3 6 11 20 35 17 12 8 4 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 56 56 d 1H J 62 | 51 50 hept 1H J 58 | 42 41 d 1H J 64 | 36 35 ddd 2H J 33 60 121 | 34 33 ddd 2H J 33 60 121 | 25 24 s 2H | 24 24 s 2H | 18 18 ddd 2H J 33 60 124 | 16 15 ddd 2H J 33 60 124 | 14 13 q 2H J 78 | 13 12 dd 6H J 58 115 | 9 9 s 2H | 8 8 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2ccc(C3(c4nnc5n4CCSC(C)(CO)C5)CC3)cc2)ncn1
ir: 8 8 3 13 10 10 3 8 5 4 1 3 11 5 5 4 1 1 2 2 3 1 2 2 2 2 1 0 1 3 3 4 4 5 22 22 33 8 3 2 1 2 4 4 2 2 2 6 2 3 7 1 2 3 2 27 14 1 2 1 1 2 3 5 24 18 3 2 1 0 2 0 3 6 16 4 2 1 3 1 1 1 4 1 3 3 1 2 2 5 7 20 5 7 24 14 3 4 2 1 0 3 1 1 1 1 0 2 4 3 4 2 3 5 2 1 5 5 4 5 9 3 4 2 3 2 4 7 3 1 0 1 2 5 2 3 1 1 1 2 6 100 39 10 3 1 3 3 8 14 16 8 4 10 1 1 2 2 20 7 8 2 1 5 10 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 6 1 2 1 2 1 4 4 3 13 8 16 17 14 11 5 5 6 25 11 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 14 | 78 77 m 2H | 73 72 m 2H | 71 71 d 1H J 14 | 42 41 t 2H J 49 | 40 40 dd 1H J 57 103 | 40 39 s 2H | 38 37 dd 1H J 57 103 | 33 32 dt 1H J 50 130 | 31 30 m 3H | 29 28 d 1H J 157 | 17 16 m 2H | 16 15 s 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc2c(n1)CC(c1ccccc1-c1ccccc1)CC2=O
ir: 15 14 13 16 14 13 14 14 14 14 13 14 19 17 14 14 13 14 14 14 14 14 13 13 13 13 14 13 18 16 13 14 13 13 13 13 12 13 14 15 20 35 41 30 14 11 13 14 14 11 15 17 25 27 24 36 28 39 20 19 16 15 14 14 14 14 13 16 15 15 14 13 17 17 14 13 13 13 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 12 13 13 13 13 13 12 12 13 13 12 12 12 14 14 13 13 13 13 12 13 13 12 12 12 13 13 12 13 16 14 14 13 13 12 12 14 13 12 14 17 20 18 23 16 15 18 18 17 19 19 34 55 92 21 19 21 19 0 49 41 11 15 13 12 84 100 13 12 12 13 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 14 13 13 13 13 13 13 12 13 14 28 24 23 18 13 13 13 13 12 12 12 13 13 12 12 13 12 12 17 26 35 16 14 13 13 13 13 12 12 13 13 39 65 25 12 12 12 12 12 12 12 12 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12; 1HNMR: 94 93 s 1H | 75 75 m 1H | 75 73 m 7H | 73 73 m 2H | 65 65 s 2H | 39 38 m 1H | 34 33 dd 1H J 70 159 | 32 31 dd 1H J 68 159 | 30 30 dd 1H J 77 159 | 27 27 dd 1H J 77 159
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H](CC1CCC1)C(=O)O
ir: 0 1 0 2 4 2 2 3 2 2 2 5 4 2 3 3 5 5 5 2 12 52 60 48 5 5 6 2 2 0 1 2 1 0 1 1 1 1 2 1 3 2 1 1 3 1 1 0 1 1 1 1 1 1 3 6 2 2 2 7 13 4 2 2 1 1 2 6 7 5 2 16 22 8 2 27 28 32 16 13 10 16 7 2 2 2 3 2 3 1 1 1 1 1 2 2 5 13 2 1 2 2 3 3 2 2 1 1 1 2 3 2 1 1 1 1 1 1 4 2 3 5 9 4 7 6 4 3 2 4 7 9 8 26 32 7 4 1 2 2 1 1 2 10 13 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 3 1 3 3 1 0 1 4 2 1 1 0 0 0 1 1 1 4 42 100 24 4 6 5 12 29 21 5 2 2 3 26 51 10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 60 60 d 2H J 68 | 38 37 p 1H J 64 | 20 19 ddd 1H J 62 71 143 | 19 16 m 6H | 14 13 dtd 2H J 58 84 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1F
ir: 2 2 4 5 12 7 3 7 7 10 3 4 7 4 7 3 7 5 7 4 3 3 4 3 2 3 3 2 2 3 3 6 9 15 7 3 3 6 8 15 7 19 28 17 5 9 14 13 12 29 14 18 27 30 65 39 37 26 17 41 14 12 4 0 5 6 18 29 13 11 3 3 4 19 80 46 8 10 2 6 11 31 4 3 2 7 7 3 5 2 4 3 4 2 6 9 7 12 9 5 9 8 33 2 2 1 1 2 2 2 2 1 2 2 2 3 2 3 5 4 10 9 12 15 4 11 7 5 3 3 9 8 26 100 8 7 14 10 3 4 4 4 1 3 3 4 6 92 51 20 23 31 36 14 28 8 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 3 2 2 2 2 3 2 2 5 7 4 17 53 60 62 11 7 5 6 5 4 5 2 4 4 12 8 6 64 13 4 4 2 3 9 64 41 37 22 11 5 3 3 3 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 2; 1HNMR: 89 89 d 1H J 31 | 79 78 dd 1H J 47 99 | 76 75 ddt 2H J 8 35 80 | 73 72 m 2H | 69 68 dd 1H J 22 121 | 68 68 dd 1H J 21 98 | 50 49 t 2H J 9 | 46 45 t 2H J 62 | 38 38 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3cc(C)c(C)nc3-c3ccccn3)ccnc2cc1OCCCO
ir: 3 2 2 7 4 3 1 2 3 3 2 1 2 1 1 1 1 1 6 4 1 1 2 2 4 2 2 5 4 1 2 3 1 3 4 10 10 34 12 4 3 7 4 7 2 2 1 1 1 4 18 8 5 13 17 8 1 2 1 1 1 1 4 2 3 16 10 6 22 17 15 12 9 3 7 3 4 2 4 10 7 16 4 3 3 3 4 19 39 30 16 12 12 7 6 5 15 27 4 3 2 1 1 4 2 2 3 2 2 3 4 4 1 3 4 11 5 2 3 2 1 1 1 2 3 6 6 3 6 9 4 3 2 2 24 14 6 6 7 4 1 1 1 3 3 7 6 17 16 3 3 2 1 2 3 12 14 3 9 31 15 2 1 1 1 1 1 11 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 2 3 3 4 3 2 1 2 2 2 6 4 18 11 9 22 65 41 13 6 3 8 11 29 100 44 13 7 5 3 4 2 2 2 2 1 1 2 3 2 1 2 1 2 1 1 1 2 2 2 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; 1HNMR: 86 85 dd 1H J 17 41 | 85 85 d 1H J 49 | 79 79 dd 1H J 14 83 | 77 76 ddd 1H J 17 71 86 | 76 76 s 1H | 74 74 s 1H | 72 72 s 1H | 72 71 ddd 1H J 15 40 71 | 70 69 d 1H J 48 | 42 41 t 2H J 63 | 39 38 s 3H | 38 37 q 2H J 61 | 28 27 t 1H J 58 | 24 24 s 3H | 23 23 s 3H | 21 20 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC2(CC1)OCCO2
ir: 5 5 3 4 4 3 3 2 2 3 4 3 6 4 3 6 6 2 4 10 6 10 6 3 2 3 3 5 10 3 4 2 2 2 2 3 10 7 1 1 1 2 1 2 4 3 1 1 1 2 2 5 29 28 5 2 6 2 2 1 3 4 4 2 1 4 3 3 2 2 2 1 2 4 3 2 1 2 1 1 2 3 3 1 2 2 2 1 4 3 5 3 2 2 2 4 2 2 2 2 1 4 1 1 2 2 2 3 1 1 8 3 2 9 4 3 3 2 1 1 2 1 3 2 4 1 4 2 2 2 1 2 2 3 1 1 2 1 2 9 2 2 3 1 1 1 2 3 2 7 3 2 7 20 6 9 27 25 3 1 2 7 2 1 12 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 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 1 2 1 2 1 1 1 2 2 1 5 4 3 3 3 2 2 4 2 2 1 0 1 1 1 1 1 1 1 1 2 18 4 0 2 3 5 5 11 7 0 1 7 22 100 8 0 0 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; 1HNMR: 100 100 s 1H | 88 88 d 1H J 13 | 87 87 d 1H J 12 | 84 83 d 1H J 13 | 82 82 dd 1H J 14 48 | 75 75 s 2H | 69 69 d 1H J 48 | 39 39 s 3H | 37 36 m 4H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nsc(CO)n2)cc1
ir: 5 7 4 4 4 4 6 3 3 4 4 3 3 6 12 6 7 4 5 7 6 6 5 2 2 3 3 1 1 2 2 2 5 4 4 7 4 5 4 4 4 3 3 1 2 3 3 2 4 7 3 1 4 42 47 15 13 16 12 4 9 7 10 17 12 7 7 2 6 24 2 2 3 5 4 5 6 8 5 3 5 11 29 35 68 100 75 46 62 27 9 7 7 3 4 2 4 2 3 2 3 2 1 2 3 2 4 2 2 3 2 3 9 4 1 2 2 2 3 3 6 2 1 2 4 4 5 10 14 4 2 2 2 1 1 2 2 2 14 2 2 1 1 1 2 1 2 3 2 19 50 21 12 3 2 4 3 0 1 3 2 0 1 5 2 1 1 3 1 0 1 3 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 3 3 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 5 6 5 3 3 2 2 3 3 3 4 10 3 26 26 17 9 3 2 4 8 5 29 49 8 6 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 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; 1HNMR: 79 78 m 2H | 71 70 m 2H | 49 49 d 2H J 55 | 38 38 s 2H | 35 34 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(O)(c2ccc3c(c2)[nH]c(=O)n3-c2ccc(F)cc2)C(F)(F)F)c2ccccc21
ir: 20 10 12 10 19 25 11 7 2 11 13 6 30 29 64 10 5 5 2 11 3 3 3 7 9 15 4 13 3 20 4 2 3 5 5 5 11 5 9 18 46 19 52 9 4 4 6 5 3 10 5 9 20 100 66 47 19 27 6 1 5 4 19 39 14 8 9 17 19 24 16 10 13 12 12 16 7 8 4 3 5 11 7 17 18 30 23 41 71 34 17 9 29 13 31 37 13 8 4 21 35 39 34 6 4 4 1 6 21 7 4 2 3 2 1 2 5 6 4 7 7 9 1 5 7 15 22 19 19 22 2 4 3 2 1 5 36 3 9 6 3 2 4 4 7 50 10 8 53 5 7 53 13 0 16 7 6 1 14 41 18 6 3 7 12 5 2 2 2 1 2 3 1 0 1 3 1 1 2 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 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 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 1 2 2 1 2 3 3 2 2 3 3 2 3 3 4 1 3 6 4 4 11 5 53 99 61 39 43 36 12 4 5 41 33 6 3 3 3 2 3 2 2 8 5 4 4 7 14 72 51 15 9 5 4 3 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 80 m 1H | 76 76 d 1H J 21 | 75 75 m 3H | 75 74 m 1H | 73 72 dd 1H J 22 71 | 72 71 m 2H | 71 70 m 3H | 45 45 q 1H J 33 | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2nc(O)c(-c3ccccc3)c(C)n2n1
ir: 11 1 5 2 0 1 3 2 0 1 2 1 9 11 4 16 12 7 21 100 10 6 3 2 2 2 2 16 24 21 5 48 20 9 19 3 3 4 3 2 4 24 4 2 2 0 1 1 2 1 1 2 6 3 1 1 1 7 1 2 1 1 3 2 2 9 4 4 10 20 9 19 9 8 8 10 8 17 17 58 14 10 3 5 1 2 1 1 1 1 1 1 1 3 1 1 1 1 2 2 1 1 0 1 1 1 3 7 7 1 1 3 8 9 4 2 2 2 4 6 5 3 2 2 2 2 1 7 14 4 7 16 9 21 14 4 3 20 3 6 1 5 17 6 1 1 3 1 1 1 3 7 17 6 3 21 1 1 1 1 1 9 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 1 1 1 2 2 2 3 3 2 4 4 5 6 8 62 8 4 4 3 2 0 1 1 3 32 4 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 1 0 0 1 1 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 5H | 74 74 m 1H | 27 27 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(O)C2CC2)c(C(F)(F)F)c1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
ir: 3 4 3 5 4 3 5 2 3 2 3 3 3 4 3 3 3 5 3 3 4 3 3 3 3 4 5 17 6 6 4 4 4 6 4 2 5 6 5 11 7 16 16 22 13 10 12 4 6 8 3 6 3 7 11 15 2 3 2 2 1 2 4 9 6 4 2 3 12 5 4 4 3 3 4 2 4 1 2 3 3 1 3 6 15 11 16 11 10 7 12 16 2 9 4 3 1 5 14 18 7 16 11 3 0 4 22 7 5 3 1 2 2 4 5 1 1 3 5 4 3 4 2 2 2 2 5 4 2 2 3 3 3 6 4 9 3 16 41 10 5 10 31 51 21 7 3 7 20 5 3 36 12 4 6 15 4 1 1 1 1 3 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2 2 3 2 10 4 3 8 12 19 12 18 8 6 7 5 3 6 100 11 3 2 1 2 2 3 1 1 3 5 1 2 4 5 33 43 9 4 3 2 2 1 2 4 2 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: 94 93 s 1H | 80 80 d 1H J 22 | 77 77 dd 1H J 21 81 | 76 75 d 1H J 82 | 72 72 d 1H J 73 | 48 48 dd 1H J 29 55 | 44 43 d 1H J 29 | 40 39 s 2H | 31 30 dp 1H J 47 73 | 22 21 pd 1H J 54 63 | 11 11 m 2H | 10 8 m 4H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(c2c(Cl)cc3c4c(cccc24)C(=O)N(O)C3=O)C1
ir: 14 6 2 10 20 6 1 5 6 3 1 3 4 2 1 3 5 2 1 3 4 4 6 3 4 2 1 5 3 2 4 14 22 3 1 4 4 1 1 5 4 0 2 11 8 3 19 100 20 1 3 5 5 2 6 8 3 8 4 6 4 5 5 8 3 2 3 5 8 3 4 5 2 1 6 5 2 1 4 5 2 3 5 4 1 1 4 5 4 4 13 8 16 25 18 17 7 8 29 21 3 3 4 7 6 4 5 2 1 3 5 3 3 5 6 2 0 3 9 4 1 5 6 2 8 5 7 3 1 25 8 3 2 3 3 5 10 4 5 4 1 3 5 2 5 4 4 3 2 4 5 12 2 4 5 17 42 5 8 1 2 5 4 6 2 5 5 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 6 3 14 17 16 3 4 5 3 4 6 54 46 3 4 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 2 2 4 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 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 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 88 87 dd 1H J 11 82 | 83 83 dd 1H J 12 81 | 82 82 s 1H | 76 76 m 1H | 40 39 tdd 1H J 15 24 49 | 37 36 m 1H | 36 35 ddd 1H J 52 71 121 | 35 34 m 2H | 32 32 d 3H J 15 | 22 21 dddd 1H J 33 51 71 124 | 20 19 dddd 1H J 34 51 69 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=Cc1cccc(-c2ccc(CO)cc2)c1
ir: 0 1 1 0 0 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 2 0 1 0 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 1 3 5 3 1 0 1 0 1 2 7 4 1 1 1 1 0 0 0 0 0 0 1 1 2 2 2 2 4 2 4 5 2 3 1 2 1 1 2 1 3 3 6 5 7 7 1 1 1 1 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 3 2 2 1 1 1 0 0 0 1 0 0 0 0 1 0 1 10 3 0 0 0 0 1 4 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 4 2 1 1 1 1 1 4 5 26 6 3 2 3 2 2 8 100 41 3 2 1 1 0 0 0 1 1 0 0 0 0 0 1 1 2 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 t 1H J 21 | 76 76 m 2H | 76 75 dt 1H J 18 75 | 75 75 t 1H J 75 | 74 73 m 1H | 74 73 dt 2H J 9 82 | 66 65 m 1H | 61 60 dq 1H J 65 143 | 46 45 dt 2H J 9 57 | 28 27 t 1H J 57 | 19 18 dd 3H J 15 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OCCC2CS(=O)(=O)C2)cc1
ir: 11 8 36 15 7 13 16 6 20 95 22 8 55 10 4 5 8 18 4 2 2 2 2 8 24 4 2 2 1 1 4 14 1 5 10 68 10 8 6 9 16 26 41 17 12 4 6 23 14 6 6 10 59 4 3 5 5 2 4 2 3 5 14 12 46 25 8 28 66 29 15 11 11 1 5 11 3 4 3 5 9 100 9 12 92 74 15 17 60 42 38 12 22 83 46 9 13 14 5 2 14 11 39 84 16 5 2 3 4 4 1 3 1 4 2 3 5 16 8 23 12 51 44 33 28 23 17 5 4 4 3 2 1 3 1 1 1 3 5 7 3 2 2 1 1 5 13 34 5 7 2 2 4 1 1 1 1 0 0 1 3 4 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 1 1 2 2 9 11 33 11 13 10 9 8 5 6 13 46 65 42 33 22 9 8 3 2 2 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 41 41 t 2H J 54 | 34 33 m 2H | 32 31 dd 2H J 80 129 | 25 24 m 1H | 24 24 s 3H | 19 18 dt 2H J 55 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N)cc1-n1ccnc1C1OCCO1
ir: 26 19 16 17 20 14 11 15 18 13 11 15 17 13 11 16 17 13 13 17 17 13 12 16 17 13 11 16 16 12 12 16 17 12 17 18 16 12 14 27 22 13 13 18 15 11 13 17 14 11 14 17 14 11 16 28 31 24 25 23 15 9 14 18 15 27 28 18 17 17 16 17 13 12 17 23 27 15 18 18 15 13 22 41 19 14 27 27 16 12 17 16 14 13 16 15 13 18 39 42 20 17 17 15 10 13 17 17 15 24 18 15 11 19 19 15 10 15 19 14 10 15 18 14 11 15 19 15 11 15 17 13 11 15 16 12 11 15 16 12 12 18 17 12 12 15 15 12 12 18 18 11 14 38 18 15 18 20 15 10 13 19 35 24 14 17 14 11 14 17 14 10 14 17 13 11 14 17 13 11 14 16 13 11 14 16 13 11 15 16 12 11 15 16 13 12 15 15 12 12 15 15 12 12 15 15 12 12 16 15 11 13 16 14 11 13 16 14 11 13 16 14 11 13 16 14 11 13 17 13 10 14 16 13 11 14 16 13 11 14 16 13 11 14 16 13 11 15 16 12 12 15 15 12 12 15 15 12 12 15 15 12 12 15 15 12 13 16 15 12 13 16 14 12 15 18 16 11 14 19 16 15 16 24 21 14 23 38 33 22 18 22 14 12 14 16 13 11 15 16 13 11 14 16 13 15 19 16 12 11 16 16 11 11 17 18 0 55 100 12 14 14 14 14 13 13 15 14 13 13 15 14 12 13 15 14 12 13 15 14 12 14 15 14 12 14 15 13 12 14 15 13 12 14 16 13 12 14 15 13 12 14 15 13 12 14 15 13 12 14 15 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12 13 15 14 12; 1HNMR: 77 76 d 1H J 42 | 76 76 m 3H | 66 66 dd 1H J 22 77 | 65 64 s 1H | 47 47 s 2H | 41 40 m 2H | 40 39 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2ccc(OCc3ccccc3)cc2c2c(CC(=O)O)nn(-c3ccccc3)c(=O)c21
ir: 2 2 2 3 2 2 4 3 3 3 2 5 3 4 4 3 3 6 3 7 4 9 18 19 7 2 8 4 3 5 3 7 4 3 2 3 3 4 3 8 5 4 8 8 3 2 2 2 3 2 7 2 4 7 4 3 2 2 2 2 2 2 2 2 2 2 3 2 5 4 3 2 2 2 2 2 3 3 4 12 15 10 3 2 3 3 2 3 6 3 3 4 3 2 2 2 2 4 3 2 2 5 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 4 3 2 2 2 2 3 3 8 5 4 3 2 2 7 7 7 27 7 7 5 3 2 2 3 2 7 4 2 3 3 2 2 2 2 5 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 2 2 1 2 4 8 3 7 27 15 7 7 6 2 0 3 8 34 100 11 0 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 77 m 2H | 75 74 m 2H | 74 74 m 2H | 74 73 m 2H | 73 72 m 4H | 69 69 dd 1H J 27 79 | 51 50 t 2H J 9 | 41 40 s 2H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)=Cc1ccc(OC(F)(F)F)cc1
ir: 1 3 1 2 4 2 3 1 1 3 1 1 7 4 4 2 2 2 2 2 2 0 1 4 8 7 5 4 1 1 1 0 1 0 2 1 1 4 6 3 3 3 3 3 2 2 1 1 1 0 1 1 1 2 4 18 21 2 2 1 1 0 1 2 3 6 7 3 3 16 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 3 2 0 1 3 6 100 46 10 34 53 35 13 22 3 1 0 1 1 4 2 2 1 0 0 0 1 0 1 1 3 3 2 2 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 18 5 2 1 8 5 7 8 5 6 48 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 5 11 28 47 29 7 8 4 1 1 2 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 76 75 m 2H | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2cn(C)nc2c1CN
ir: 3 2 2 13 3 2 2 1 1 1 1 1 3 7 2 1 1 1 2 8 1 1 2 6 3 1 1 1 2 2 13 5 1 3 2 5 1 1 1 1 1 1 1 4 1 2 1 1 1 1 1 1 1 7 5 2 2 0 1 6 2 38 8 0 2 2 1 4 3 4 7 10 21 59 28 8 12 10 2 6 4 8 4 1 2 1 1 1 1 1 0 1 1 2 1 4 2 4 4 2 1 2 2 1 4 8 14 2 3 2 7 2 2 1 3 2 1 3 2 4 11 6 4 4 6 7 25 22 9 12 27 10 6 9 6 4 5 6 3 2 2 1 1 2 3 6 3 1 1 3 1 1 1 0 1 6 2 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 1 3 2 3 2 4 4 3 7 6 9 9 14 3 3 2 1 3 2 4 3 3 10 17 13 15 32 8 7 5 3 100 18 1 2 3 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 17 | 78 78 dd 1H J 16 82 | 71 70 m 1H | 42 41 t 2H J 67 | 40 40 s 3H | 23 23 d 3H J 11 | 18 17 t 2H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(Br)c(C(F)(F)F)c1
ir: 9 4 5 3 4 5 3 13 0 4 4 2 1 3 4 3 4 8 3 2 2 3 3 2 2 3 3 2 3 4 5 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 4 13 5 25 55 14 5 7 5 3 1 3 3 7 11 3 5 56 34 9 9 5 6 13 11 10 4 6 6 2 2 3 4 7 2 3 3 2 3 4 4 2 2 3 3 3 4 8 23 1 40 2 4 100 11 9 6 1 3 14 5 2 3 5 5 7 3 7 6 8 20 45 6 7 5 6 5 3 4 5 3 2 3 4 2 2 3 4 2 2 19 21 7 2 4 3 2 3 4 29 12 3 4 3 9 7 4 3 2 2 3 3 3 8 4 3 2 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 4 4 3 3 4 3 7 4 5 4 6 11 11 31 85 68 21 4 0 4 5 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 76 75 d 1H J 82 | 72 71 dq 1H J 9 19 | 69 68 dd 1H J 22 81 | 41 41 q 2H J 66 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccc(F)cc1)c1cc(Br)c(CN2CCOCC2)cc1OCc1ccc(F)cc1
ir: 2 2 2 3 1 3 2 11 9 5 3 6 6 2 1 1 6 2 1 1 1 1 2 1 2 1 3 6 6 18 3 2 1 1 1 2 2 2 1 1 1 2 2 5 1 2 5 5 4 5 6 7 15 15 49 11 11 11 10 5 3 3 2 3 4 6 6 3 4 10 18 0 3 73 2 2 2 1 1 1 8 4 2 3 9 6 3 3 1 1 1 2 2 10 5 5 10 9 9 7 5 2 3 2 2 2 1 1 1 2 2 13 6 5 3 3 3 3 3 10 2 3 4 5 4 3 4 3 2 2 2 3 1 1 1 1 1 1 1 1 1 1 4 5 21 11 19 100 17 7 3 4 6 1 7 2 2 1 1 1 1 2 2 3 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 1 1 2 7 13 8 48 90 23 14 5 3 4 5 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 s 1H | 76 75 ddt 2H J 9 34 81 | 75 74 ddt 2H J 9 35 79 | 73 72 m 2H | 71 71 m 2H | 69 68 t 1H J 9 | 56 56 t 2H J 9 | 49 49 t 2H J 9 | 37 37 d 2H J 7 | 37 37 m 4H | 26 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CCc1ccnc(-c2nc(=O)c3ccccc3s2)c1
ir: 7 2 2 2 2 1 2 5 8 21 5 4 4 2 1 1 2 3 3 2 2 3 1 2 2 1 2 3 10 4 3 4 2 1 2 4 2 1 13 49 100 20 8 3 4 4 2 0 1 1 2 2 3 2 1 1 1 1 1 2 1 2 2 1 11 5 2 2 6 6 3 7 3 5 3 2 1 0 1 1 1 1 2 2 1 4 9 1 1 1 4 20 4 3 2 1 2 3 2 1 0 3 3 2 0 4 12 4 1 2 2 1 2 4 3 4 3 3 11 8 9 6 11 5 4 5 4 3 4 22 6 5 2 3 4 6 9 22 6 1 1 1 2 3 21 9 8 29 4 4 4 4 23 7 8 2 1 3 2 3 1 14 7 2 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 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 1 1 1 1 2 2 2 2 4 6 11 18 15 19 19 11 5 5 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 86 86 d 1H J 46 | 80 79 dd 1H J 16 69 | 79 79 dd 1H J 17 71 | 77 77 dd 1H J 11 21 | 77 76 td 1H J 16 72 | 76 75 td 1H J 17 69 | 72 71 ddt 1H J 9 20 48 | 31 30 tt 2H J 10 77 | 27 26 t 2H J 74 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](S[C@H]1CO[C@H](/C=C/c2ccc(F)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
ir: 4 3 2 1 3 10 2 4 8 4 1 2 2 2 6 1 2 1 3 3 4 2 1 1 1 0 1 1 2 0 0 1 1 1 1 2 2 7 15 5 7 5 1 0 0 1 1 1 2 1 1 3 3 9 17 16 11 8 5 7 3 3 2 2 2 3 6 10 4 16 2 1 2 8 16 8 7 15 12 5 10 5 6 4 1 1 1 2 2 2 6 4 3 6 10 4 3 16 1 5 4 4 5 2 3 4 4 4 10 14 13 8 5 3 6 3 2 2 4 4 14 11 9 3 11 14 11 5 7 4 14 3 1 2 4 2 1 1 1 0 1 1 1 12 1 1 3 29 2 6 13 11 7 6 4 1 1 1 1 0 1 6 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 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 1 1 0 0 0 1 1 0 0 4 1 1 2 3 2 3 8 7 8 13 12 18 35 7 40 100 58 58 11 8 4 1 1 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dt 1H J 9 17 | 78 78 d 1H J 16 | 75 74 m 2H | 74 73 dt 1H J 44 77 | 71 71 m 2H | 69 69 ddd 1H J 27 77 103 | 69 68 td 1H J 27 121 | 66 66 m 1H | 60 59 dd 1H J 53 163 | 54 54 dd 1H J 18 53 | 50 49 dd 1H J 9 148 | 47 46 dd 1H J 10 148 | 45 45 s 1H | 41 40 dd 2H J 48 104 | 39 39 dd 2H J 20 104 | 37 36 q 1H J 57 | 34 33 tt 1H J 20 48 | 14 14 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC[C@@H](C#CCN(CC)CC)OC(C)=O
ir: 8 8 6 8 5 4 4 6 6 8 6 5 10 7 4 3 6 4 4 20 10 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 5 4 5 5 6 4 3 3 4 6 5 4 3 3 6 8 3 3 3 5 6 5 5 3 4 4 5 7 4 6 15 24 4 6 8 15 15 47 15 7 21 4 4 4 5 15 48 20 58 35 16 16 10 4 3 4 4 3 3 6 4 3 12 19 39 22 13 10 10 16 9 10 5 4 3 4 4 4 4 5 7 10 11 14 4 17 17 32 31 13 11 6 8 5 4 6 10 9 6 10 4 3 4 3 2 4 4 0 100 4 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 8 6 5 4 6 4 5 4 5 6 6 4 8 24 42 12 9 4 4 6 4 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 54 53 tt 1H J 26 64 | 37 37 dd 1H J 25 107 | 37 36 dd 1H J 26 108 | 27 27 q 4H J 58 | 21 20 dtd 1H J 64 73 137 | 21 20 s 3H | 17 16 dtd 1H J 64 73 135 | 15 14 m 1H | 14 12 m 5H | 11 10 m 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OCCO)cc1
ir: 11 12 11 7 5 6 4 7 29 21 16 17 10 12 4 4 4 4 1 3 2 1 2 3 13 2 2 4 3 1 2 4 10 6 6 4 2 1 2 2 8 9 10 2 3 3 2 2 5 2 4 8 15 2 14 1 2 2 2 2 2 5 4 6 12 9 9 7 16 4 8 7 1 0 2 3 1 0 2 4 6 25 7 11 9 28 26 99 33 100 11 11 4 30 36 9 7 4 1 1 8 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 3 4 1 3 2 6 2 7 6 6 2 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 8 14 6 3 2 2 1 2 1 1 1 1 1 0 2 4 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 3 2 3 3 17 12 23 8 0 4 4 3 2 22 55 19 9 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 42 41 t 2H J 57 | 40 39 q 2H J 58 | 29 29 m 1H | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(O)C(Cc1ccccc1)C(=O)OCC
ir: 9 11 5 10 13 18 6 8 10 8 11 5 10 4 7 6 2 2 1 1 2 1 2 3 2 0 0 2 2 3 5 6 8 3 1 2 2 0 1 27 10 3 1 2 2 2 2 1 1 2 3 3 1 1 1 2 1 1 1 2 1 1 1 5 3 1 5 4 5 5 2 2 1 4 4 12 2 1 3 2 1 1 2 2 1 0 3 3 4 17 42 46 9 12 5 3 3 8 4 4 8 5 4 2 2 2 10 5 7 8 5 3 5 6 5 5 6 5 8 4 2 6 13 5 4 3 4 4 3 6 12 10 12 18 5 15 2 2 1 0 1 3 9 18 10 28 50 5 1 1 1 2 3 2 1 0 0 1 1 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 3 2 3 5 5 2 6 4 1 5 4 9 16 10 49 16 12 6 6 8 26 100 7 5 3 2 1 1 1 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 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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: 73 72 m 5H | 47 46 dtd 1H J 58 76 86 | 42 40 m 5H | 31 30 ddt 1H J 9 87 133 | 29 28 m 2H | 27 27 dd 1H J 76 169 | 25 24 dd 1H J 75 170 | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(C(CC)(CC)c2ccc(O)c(C)c2)cc1C
ir: 11 2 3 6 4 4 8 2 2 5 8 3 8 4 3 3 2 3 2 2 2 1 1 2 2 2 2 10 12 3 2 1 2 2 3 6 11 6 5 3 0 1 1 0 1 1 2 1 1 1 2 7 10 16 32 44 12 12 2 2 2 4 1 1 3 3 3 6 7 2 10 9 12 16 25 17 36 10 12 51 45 18 3 8 6 4 4 6 3 2 8 53 16 17 8 2 3 3 3 3 6 7 1 3 1 1 1 1 1 1 1 1 1 2 1 3 12 17 14 7 7 5 2 7 13 3 2 6 8 18 13 7 3 1 2 4 2 2 1 1 3 15 2 6 14 5 1 2 2 4 18 28 11 4 4 11 5 1 1 1 1 1 9 3 1 1 1 1 1 0 0 1 0 0 1 2 2 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 1 0 0 1 1 1 1 1 2 2 1 2 4 2 1 2 3 1 3 3 3 2 5 8 10 14 15 7 60 100 34 11 15 8 4 7 4 13 9 1 1 1 1 1 1 40 10 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 77 | 71 71 m 2H | 70 70 s 1H | 70 69 m 2H | 67 67 d 1H J 88 | 33 32 s 1H | 23 23 s 3H | 22 21 s 3H | 21 20 dq 2H J 73 145 | 19 18 dq 2H J 72 145 | 9 8 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(N)ccc2n1C
ir: 9 7 3 9 10 8 6 9 9 10 6 5 4 4 4 4 4 4 4 5 5 4 5 6 8 7 7 6 5 5 5 5 4 4 5 4 4 4 4 5 4 4 4 5 5 5 7 5 4 4 4 5 5 5 16 21 5 4 4 4 4 4 4 4 4 4 4 7 7 7 5 4 4 4 4 4 4 5 11 16 21 9 6 4 4 4 4 4 4 5 5 5 5 4 6 4 3 4 4 4 3 4 4 7 20 9 3 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 6 4 4 5 3 19 6 56 17 53 10 4 5 4 0 12 100 5 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 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 5 5 7 5 5 6 8 9 13 21 11 4 4 4 4 4 3 3 4 4 3 3 4 4 7 31 20 10 4 4 4 4 4 4 4 4 7 27 35 12 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 70 70 d 1H J 78 | 68 68 t 1H J 21 | 67 67 dd 1H J 22 77 | 53 53 m 1H | 41 41 s 2H | 35 35 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@H]1CC[C@@H](c2ccc(OC(=O)C3CC(=C(C)C)C3)cc2)CC1
ir: 9 9 4 15 7 7 5 7 22 19 16 18 11 8 13 17 6 13 7 6 15 7 6 6 5 3 4 5 7 8 9 9 10 12 5 10 9 8 7 5 13 8 8 4 8 3 5 7 7 3 10 23 23 16 27 63 74 81 19 7 8 4 7 5 7 5 9 4 9 16 10 8 8 6 8 8 8 5 6 4 4 4 5 8 6 4 5 9 6 11 47 23 14 11 8 10 7 16 25 30 15 10 14 13 6 8 22 14 5 8 11 13 19 14 9 10 9 47 32 20 10 12 5 10 10 14 10 7 11 16 6 7 15 20 9 8 5 8 8 11 13 11 9 43 100 29 14 0 12 53 31 42 25 20 8 6 5 3 4 4 4 3 6 4 3 3 3 4 3 2 3 3 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 4 3 3 3 5 7 6 5 9 9 9 8 28 23 9 17 25 24 59 67 57 82 77 58 33 33 13 11 8 9 6 4 4 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 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; 1HNMR: 72 71 m 2H | 71 70 m 2H | 28 28 p 1H J 61 | 26 25 m 3H | 23 22 m 2H | 18 17 m 8H | 16 13 m 7H | 13 11 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCC(=N)NS(N)(=O)=O
ir: 2 2 1 2 1 2 4 7 4 7 6 9 9 9 3 8 7 6 2 3 3 3 2 2 1 2 2 3 3 3 2 5 6 5 17 36 14 8 6 22 15 5 5 3 4 3 5 5 7 12 13 31 18 8 5 26 28 20 15 8 7 2 4 4 4 6 7 13 21 29 20 10 7 9 12 10 6 9 7 6 9 9 42 45 11 9 15 29 55 22 10 15 12 11 11 14 8 14 17 15 16 16 11 22 15 14 10 14 12 12 22 15 7 8 8 4 10 20 9 12 11 7 22 34 14 12 14 6 5 10 6 5 2 9 4 8 5 5 7 6 7 5 49 52 9 5 4 0 2 3 6 3 3 5 3 3 4 4 4 4 6 8 3 3 7 4 7 7 5 12 4 10 6 8 9 7 7 4 3 4 4 19 7 6 6 11 10 5 9 9 4 2 3 5 3 2 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 2 1 0 1 2 1 1 1 2 2 1 4 5 3 1 1 2 2 1 3 13 9 1 1 2 1 1 2 3 3 1 3 3 1 1 2 3 3 0 3 35 27 10 38 51 23 10 9 38 94 64 78 100 59 11 4 5 6 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 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: 72 71 s 1H | 71 71 s 1H | 68 68 s 2H | 28 28 t 2H J 47 | 26 25 t 2H J 47 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCOCc1onc2c1-c1ccccc1Sc1ccc(Cl)cc1-2
ir: 3 2 2 2 4 2 1 3 5 3 7 2 2 1 1 2 3 3 1 1 2 5 2 1 2 3 2 2 2 2 1 2 2 4 1 1 1 1 1 1 3 3 15 34 3 2 3 1 2 1 2 1 7 31 5 3 1 0 1 2 1 1 2 4 3 4 3 12 8 4 4 4 3 3 2 3 3 1 2 2 2 3 2 1 1 6 3 8 3 2 4 10 5 5 5 3 2 5 4 2 4 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 13 1 3 2 2 2 2 2 2 1 2 3 3 2 2 6 4 4 2 1 1 1 1 1 6 33 5 3 15 17 4 4 17 2 2 3 2 1 2 1 0 2 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 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 1 1 1 0 1 1 1 1 2 2 1 1 1 3 2 1 1 4 8 4 7 100 22 9 4 2 1 4 1 2 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 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: 76 76 d 1H J 26 | 75 74 m 6H | 74 74 dd 1H J 26 79 | 50 50 s 2H | 35 35 t 2H J 58 | 26 26 t 2H J 66 | 23 23 s 5H | 18 18 tt 2H J 58 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2nc(N3CCOc4ccc(-c5ccn[nH]5)cc43)sc2C(=O)N1
ir: 3 3 3 4 6 4 5 4 3 13 15 4 4 14 11 3 5 8 6 10 5 4 3 17 10 3 5 2 4 3 2 4 2 1 2 3 4 2 3 7 11 72 36 13 6 17 21 58 38 9 8 9 5 6 15 6 2 5 3 1 2 8 5 5 3 2 2 4 3 5 7 2 2 2 4 3 9 11 9 6 4 28 21 6 5 7 9 11 5 4 4 4 3 1 2 2 2 2 3 3 2 2 2 2 1 2 4 2 3 3 4 21 5 5 5 7 16 15 6 13 8 3 4 3 5 3 4 6 8 13 14 3 2 3 3 2 1 2 4 3 1 3 4 4 33 20 42 13 4 2 6 13 1 4 16 6 12 100 2 10 3 0 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 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 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 2 1 2 3 2 3 3 2 3 2 2 2 2 3 5 14 15 4 8 32 13 13 8 7 3 3 2 2 2 1 1 1 2 2 2 2 2 2 3 3 5 7 12 29 26 28 28 12 10 7 4 5 2 2 3 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 s 1H | 76 75 m 2H | 74 74 d 1H J 22 | 69 68 m 2H | 43 42 ddt 5H J 34 42 68 | 30 29 s 2H | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccn1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ir: 1 1 2 11 4 9 11 7 5 4 2 6 11 6 12 16 10 6 3 6 3 3 5 3 1 2 4 11 4 5 11 4 24 13 8 27 18 4 13 87 17 10 3 2 4 3 11 8 3 5 5 5 10 30 28 41 17 9 23 6 9 6 4 23 10 1 3 7 4 7 6 4 2 1 1 1 1 3 5 3 7 5 4 13 9 9 3 6 7 18 5 9 3 3 3 2 4 2 7 2 3 2 7 3 4 4 8 4 17 9 20 11 5 7 8 9 25 7 4 12 7 4 8 14 12 12 3 6 5 4 4 4 8 12 24 42 30 9 27 32 12 6 74 10 14 14 14 78 60 15 8 5 7 44 26 10 35 22 8 2 3 3 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 2 3 2 6 4 5 7 6 6 2 3 6 11 24 40 65 100 46 13 8 9 3 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 87 dd 1H J 16 41 | 84 83 dd 1H J 21 45 | 77 76 td 1H J 17 74 | 76 75 ddt 1H J 8 20 78 | 74 73 m 2H | 73 72 m 3H | 71 71 d 1H J 88 | 36 35 t 4H J 47 | 34 34 d 2H J 10 | 33 33 td 2H J 9 95 | 29 28 td 2H J 9 95 | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C2CC(=O)CC2C1
ir: 2 2 3 1 4 7 14 9 8 14 13 2 5 16 5 8 6 4 6 5 7 6 8 16 28 20 37 16 2 2 1 1 0 1 1 1 1 1 1 0 1 9 2 10 4 17 2 1 1 1 2 0 1 3 4 4 4 2 2 6 6 4 5 2 2 1 1 2 1 2 6 8 19 17 20 49 31 7 7 17 26 8 13 14 3 2 4 3 3 3 1 2 1 1 2 2 16 25 20 16 7 3 0 1 7 4 13 4 5 7 0 10 15 13 7 7 7 4 4 5 5 11 17 26 16 33 16 10 8 6 3 2 2 1 0 2 2 1 7 21 10 19 11 35 18 100 10 1 0 2 2 1 1 1 2 4 28 31 22 33 3 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 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 1 1 1 1 0 1 1 1 1 2 1 2 3 11 9 11 23 17 6 5 8 7 6 16 45 84 42 44 42 6 2 3 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 60 60 dq 1H J 9 18 | 34 33 m 1H | 32 32 m 1H | 30 29 m 2H | 27 26 dd 1H J 50 150 | 26 25 ddd 1H J 9 52 144 | 24 23 ddd 1H J 9 53 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc2cccnc12)Nn1ccc2ccccc21
ir: 2 1 0 0 1 1 1 1 1 0 2 3 1 1 1 6 2 2 1 3 3 10 16 1 1 3 2 2 2 6 2 1 2 0 2 2 2 1 2 10 9 8 23 26 15 21 30 17 3 4 1 1 8 3 1 0 1 2 4 0 1 3 10 4 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 4 2 10 2 0 1 1 6 1 1 1 3 3 1 1 4 2 2 2 0 1 1 3 0 11 3 3 1 3 6 2 1 1 5 6 1 1 6 5 3 1 0 1 1 1 0 1 0 0 1 0 1 1 1 1 1 15 8 9 3 1 6 11 31 2 2 3 2 7 12 6 8 5 21 13 14 17 13 3 2 1 1 6 1 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 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 1 0 1 1 1 1 1 2 1 2 12 12 33 21 7 9 3 2 2 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 4 36 100 20 4 1 1 2 2 1 1 1 1 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 87 86 dd 1H J 17 40 | 85 84 s 1H | 83 82 d 1H J 53 | 82 82 dt 1H J 16 82 | 79 79 dt 1H J 11 69 | 78 77 m 1H | 77 77 dt 1H J 19 75 | 75 75 dd 1H J 40 82 | 75 74 m 2H | 72 72 td 1H J 14 68 | 72 71 td 1H J 11 67 | 69 69 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc([C@H]2NC(=S)N[C@H]2c2cccc(F)c2)c1
ir: 7 3 3 3 8 12 4 4 4 4 3 6 5 3 2 8 7 37 83 99 0 6 7 10 10 52 15 11 8 8 7 8 5 5 7 9 8 4 4 3 3 16 14 5 5 9 13 37 79 10 3 4 3 4 3 3 3 3 4 4 3 3 4 4 4 3 6 20 19 20 5 4 5 6 6 3 4 6 6 6 5 4 5 3 3 3 3 3 17 56 22 3 4 3 3 3 5 13 27 7 3 4 6 8 2 3 3 3 2 5 9 9 4 3 18 4 3 3 3 4 4 4 6 9 16 6 7 5 4 4 3 3 3 3 3 3 3 9 18 28 34 31 9 5 3 7 11 65 79 15 3 16 9 4 9 9 6 3 3 3 5 3 3 3 3 3 3 3 3 3 3 4 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 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 7 8 4 7 7 11 15 35 64 15 5 4 5 5 5 4 4 4 3 4 3 4 4 4 4 8 13 9 5 13 57 73 100 20 8 4 5 4 4 3 4 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 3 3 3 3; 1HNMR: 76 75 t 2H J 26 | 74 73 m 4H | 73 72 m 2H | 70 69 dddd 2H J 14 22 76 100 | 55 54 d 2H J 29
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCOc1ccc(C=O)cc1Br
ir: 5 9 8 6 7 6 7 5 1 5 5 6 3 6 7 9 1 9 11 5 3 8 8 10 12 12 7 3 3 4 4 3 4 5 7 3 5 20 13 6 6 5 4 3 4 4 5 5 13 10 8 10 32 100 33 5 6 9 8 8 10 17 25 0 10 19 22 14 27 22 43 13 22 25 9 13 9 9 15 16 12 11 12 5 7 7 10 14 22 16 2 4 5 5 5 5 5 5 4 9 15 11 12 5 16 17 2 3 7 4 0 3 11 5 2 5 10 8 2 7 7 6 8 24 39 28 9 6 7 3 1 5 5 2 1 4 5 3 5 11 35 4 1 8 39 68 18 4 4 4 6 35 21 51 16 11 8 4 4 5 4 5 6 9 3 2 3 5 4 2 3 5 3 1 4 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 3 3 4 4 2 3 4 4 3 3 9 6 3 4 7 8 5 5 6 4 2 4 6 7 12 37 22 31 21 46 11 9 3 4 5 4 3 3 4 3 2 4 5 3 3 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5; 1HNMR: 81 81 d 1H J 22 | 78 78 dd 1H J 22 84 | 72 71 d 1H J 84 | 51 51 s 2H | 38 37 t 3H J 47 | 36 35 t 2H J 47 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OCC(O)CO
ir: 7 22 24 28 43 14 25 18 24 22 48 8 32 30 35 14 11 59 78 20 3 6 6 6 5 8 8 1 3 4 5 2 2 6 4 2 2 4 3 1 3 4 4 15 3 4 7 0 2 4 4 2 6 6 4 0 2 5 2 1 2 5 2 0 3 4 6 13 11 10 4 3 4 9 8 8 16 6 2 0 6 8 6 7 16 38 100 30 10 23 56 13 4 29 7 45 30 5 7 3 3 3 2 3 3 3 1 7 18 8 6 2 3 2 3 3 4 2 2 2 4 4 4 7 7 24 21 7 6 27 41 40 25 2 1 2 3 1 1 2 3 1 1 2 3 1 1 4 13 2 1 2 3 0 1 3 3 2 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 1 1 3 2 0 2 3 2 0 1 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 2 1 4 3 6 5 4 7 6 10 8 7 22 14 4 2 1 2 4 5 13 10 91 60 19 10 3 2 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2; 1HNMR: 59 58 dq 1H J 9 17 | 56 56 dq 1H J 15 27 | 43 43 dd 1H J 56 120 | 41 41 dd 1H J 56 120 | 39 38 dp 1H J 56 65 | 37 36 dt 1H J 57 115 | 36 36 t 1H J 58 | 35 34 dt 1H J 57 116 | 33 32 d 1H J 64 | 19 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C=C/C(=O)n2c(=O)n(C)c3ccccc32)cc1OC
ir: 1 1 2 9 1 2 2 1 0 1 1 1 3 3 1 2 3 3 1 1 1 3 3 2 1 1 1 1 1 1 1 3 3 1 2 4 3 2 1 2 2 2 10 6 11 56 28 2 1 4 2 2 2 13 27 6 1 1 3 3 3 2 5 5 4 12 8 12 4 3 9 4 3 1 9 3 4 1 1 1 4 4 6 4 8 3 3 6 5 2 3 10 3 2 1 1 1 2 2 1 3 3 2 2 2 2 4 5 1 2 4 1 1 7 3 1 1 1 2 1 1 2 2 1 2 2 17 10 2 2 2 1 2 2 5 2 58 6 2 2 4 1 1 10 8 1 1 3 22 28 5 4 2 2 21 8 4 100 5 2 14 4 1 0 0 1 1 2 1 1 0 0 0 1 0 1 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 1 2 2 0 4 9 24 13 22 41 33 11 5 1 2 1 1 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 14 79 | 77 77 m 1H | 77 76 dd 1H J 14 77 | 74 73 m 3H | 72 71 td 1H J 14 79 | 71 70 d 1H J 156 | 69 69 d 1H J 84 | 39 38 d 6H J 77 | 36 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c12
ir: 3 5 4 4 1 12 8 5 1 8 33 6 2 2 4 7 3 7 8 7 5 6 5 10 0 19 49 30 8 6 4 7 5 2 7 23 23 8 11 8 48 15 8 16 13 34 49 59 41 18 7 5 5 8 5 2 10 13 23 12 5 4 6 6 6 26 28 47 39 54 28 22 7 19 14 9 4 3 3 7 6 8 4 2 3 3 1 2 4 11 8 8 5 6 3 4 3 10 11 16 7 4 2 4 11 8 21 23 40 15 56 43 16 9 37 17 18 18 7 7 15 10 18 13 16 7 12 13 7 5 9 12 20 14 6 51 8 4 6 15 45 28 53 14 5 3 2 2 2 2 7 5 32 18 5 15 14 26 5 6 7 4 2 2 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 2 1 2 2 2 2 3 3 7 4 3 4 2 6 4 5 3 10 24 29 100 48 57 30 29 11 4 3 4 1 2 2 2 2 2 3 4 6 10 37 78 20 14 6 7 14 90 24 8 3 2 3 5 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; 1HNMR: 93 92 dd 1H J 51 81 | 76 76 dd 1H J 7 73 | 73 72 m 2H | 72 71 ddd 1H J 7 76 102 | 70 69 m 1H | 69 69 m 2H | 68 68 tt 1H J 9 22 | 59 58 t 1H J 70 | 46 45 tt 2H J 29 130 | 38 38 dt 2H J 9 54 | 31 30 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1cc(/C=C/C(=O)O)n(Cc2ccc(Cl)cc2Cl)n1
ir: 0 0 0 0 1 0 0 0 0 1 1 0 1 3 1 0 0 0 0 1 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 2 0 0 0 1 1 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 1 4 1 0 0 0 0 0 0 1 0 0 1 0 1 6 0 1 0 0 0 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 4 1 3 1 3 1 0 0 0 1 2 100 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: 78 77 d 1H J 170 | 73 72 m 2H | 72 71 dd 1H J 21 78 | 65 64 d 1H J 168 | 61 60 s 1H | 56 55 d 2H J 9 | 43 42 t 2H J 73 | 18 17 p 2H J 71 | 16 15 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(Nc2nc(-c3ccc(Br)cc3)cs2)CCC1
ir: 4 3 4 5 1 1 2 2 2 5 5 6 5 8 2 1 1 1 1 1 1 2 1 1 2 2 2 1 2 3 2 5 10 5 3 2 2 2 4 7 7 4 4 2 3 9 9 3 3 4 25 17 8 7 15 41 28 9 9 7 6 2 2 4 8 2 1 3 2 18 2 2 1 6 20 4 8 4 1 1 2 14 8 19 9 8 9 15 14 20 11 7 3 5 7 2 4 4 3 6 13 1 1 6 8 6 5 3 3 4 4 2 2 6 2 2 4 5 6 10 4 6 7 11 4 9 8 5 11 2 1 2 5 18 18 10 5 36 65 34 5 3 3 2 1 1 1 2 3 8 4 5 6 4 2 2 1 1 1 1 1 0 1 1 10 2 1 2 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 2 2 3 2 10 14 16 3 2 9 4 11 48 100 93 45 43 8 6 4 3 0 8 6 2 2 2 2 2 2 2 1 2 3 10 16 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 76 76 m 2H | 71 71 s 1H | 63 63 s 1H | 43 42 t 1H J 47 | 37 37 d 2H J 46 | 21 20 m 2H | 18 18 ddd 2H J 70 80 125 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)sc2ccc(C(O)c3ccc(C#N)cc3)cc21
ir: 1 2 2 4 1 3 3 1 2 2 2 3 3 2 1 1 0 1 1 0 1 1 3 6 2 3 5 1 0 1 1 2 1 1 0 1 2 3 2 1 0 0 0 0 0 0 1 2 1 1 1 0 1 2 4 4 6 1 2 1 1 0 0 0 0 2 1 3 2 3 5 1 0 0 0 0 0 1 1 1 1 1 1 3 9 8 11 20 8 5 3 2 0 2 3 2 2 0 0 1 0 1 1 1 0 0 0 0 0 0 3 9 6 2 2 4 1 1 1 2 2 1 1 1 1 1 2 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 2 2 7 5 2 2 2 3 1 1 4 4 2 1 0 0 0 0 1 0 3 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 1 1 1 1 1 1 2 2 1 2 1 2 2 2 2 3 3 1 14 16 4 2 2 4 7 6 49 100 36 8 5 3 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 75 | 77 76 m 2H | 76 75 dd 1H J 7 21 | 74 74 m 2H | 72 72 ddd 1H J 7 22 75 | 59 59 m 1H | 36 36 s 2H | 25 24 d 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.