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CC(O)(c1cccs1)c1nccs1 | ir: 1 1 1 1 1 2 2 2 1 2 1 1 1 2 13 27 3 7 1 1 1 1 1 1 1 1 3 2 1 1 2 10 2 10 19 9 1 1 1 2 22 11 1 1 1 2 2 1 22 3 10 28 86 12 14 5 3 0 1 2 2 2 1 2 2 9 2 2 1 1 3 4 4 1 1 1 1 1 1 1 1 2 11 12 4 7 5 2 5 11 14 3 7 6 10 22 2 3 5 5 3 6 8 4 2 1 1 1 2 1 2 6 19 24 1 2 1 2 16 2 1 2 4 16 8 5 4 5 8 8 13 17 2 2 3 1 46 2 1 2 2 1 2 1 1 1 1 2 4 3 1 1 1 1 1 3 28 4 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 3 3 1 1 2 1 2 2 3 2 2 4 6 14 11 23 68 30 51 18 0 5 5 5 100 32 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 33 | 73 73 m 2H | 71 70 dd 1H J 17 61 | 70 69 dd 1H J 39 61 | 49 48 s 1H | 20 20 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1ccc(CCCN2C(=O)CCC2CCC(O)Cc2ccccc2)cc1 | ir: 5 2 3 3 4 3 2 3 5 4 5 6 25 9 1 10 25 21 19 14 40 45 57 14 8 4 5 3 2 3 4 2 7 7 3 3 4 3 4 13 8 3 2 4 6 3 3 5 2 3 5 4 4 6 5 5 8 1 2 2 3 3 2 3 2 4 2 5 9 22 5 2 4 3 20 9 5 10 52 30 6 6 6 9 11 45 25 13 8 18 7 6 4 3 3 2 2 5 16 7 1 4 2 2 1 4 6 4 3 4 5 5 4 4 6 29 2 9 5 9 7 8 8 6 5 11 11 3 4 3 3 7 3 2 5 8 2 2 3 3 4 6 42 21 2 6 3 3 28 100 3 8 5 10 2 1 1 2 2 2 1 2 3 1 1 2 1 0 1 2 1 0 1 2 1 1 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 3 2 1 1 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 1 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 3 3 6 4 2 4 4 3 3 4 6 12 17 10 31 49 2 4 4 3 2 7 12 51 38 71 29 3 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 80 80 m 2H | 73 72 m 7H | 39 38 pd 1H J 55 69 | 37 36 tt 1H J 49 62 | 36 35 m 1H | 34 33 dt 1H J 64 123 | 29 29 ddt 1H J 9 69 139 | 28 28 d 1H J 55 | 27 26 m 3H | 26 25 ddd 1H J 49 68 139 | 24 23 ddd 1H J 48 68 139 | 19 16 m 6H | 16 14 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1ccc2c(C3CC3)cn(-c3ncc(-c4ccccc4F)cn3)c2c1)N1CCOCC1 | ir: 3 2 2 2 1 1 0 3 1 4 1 2 2 1 1 4 1 2 5 6 8 2 2 3 3 2 2 2 7 5 2 2 5 3 3 5 17 5 13 19 7 8 50 23 3 3 1 1 1 2 2 2 4 5 10 21 16 13 17 65 7 1 8 13 8 0 9 8 5 9 9 9 8 11 6 3 1 0 1 2 0 1 3 2 1 1 4 6 3 4 5 3 4 2 4 3 1 0 2 3 1 3 4 2 41 2 9 2 3 2 1 2 15 11 14 6 2 6 11 13 15 21 28 39 18 17 3 8 3 3 4 2 9 43 8 5 9 12 2 6 12 7 24 48 38 13 9 12 100 15 11 9 20 6 15 9 27 26 3 1 2 2 37 3 1 1 1 0 0 1 1 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 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 0 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 1 2 2 1 1 2 2 2 3 6 10 15 18 23 24 13 19 18 6 4 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 d 2H J 20 | 82 82 d 1H J 21 | 80 80 d 1H J 82 | 78 77 dd 1H J 22 81 | 77 77 m 1H | 77 77 s 1H | 74 73 m 2H | 72 71 ddd 1H J 16 75 102 | 37 36 dd 4H J 44 53 | 35 35 m 4H | 30 30 m 1H | 17 17 m 2H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nnc(C(C)(CC2CC2)NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3(F)COC3)cn2)o1 | ir: 7 12 7 4 4 18 4 4 11 4 7 7 2 6 14 3 4 11 5 12 6 3 4 9 3 3 4 4 7 21 13 7 4 19 6 3 15 18 35 23 15 19 9 33 24 10 4 3 6 3 2 2 3 4 20 23 13 10 4 7 4 3 3 5 4 11 9 13 11 11 16 5 10 2 2 4 6 23 9 11 6 3 2 3 13 2 4 9 3 5 8 3 2 3 4 3 12 4 9 3 5 6 11 4 5 3 1 2 5 3 8 18 18 15 4 4 4 6 5 7 17 14 13 7 13 4 4 6 23 24 20 89 11 6 2 4 4 3 4 3 2 100 3 25 63 74 34 4 7 8 5 0 8 4 3 2 2 2 2 1 3 23 4 2 2 1 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 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 4 3 4 2 3 4 3 7 3 4 10 18 13 15 21 18 16 57 13 11 10 8 4 2 2 2 2 2 2 2 3 2 3 2 4 5 3 4 4 24 10 34 22 31 30 6 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1; 1HNMR: 86 86 d 1H J 33 | 79 79 s 1H | 79 78 s 1H | 49 47 qq 1H J 54 82 | 47 46 m 2H | 44 43 m 2H | 26 26 s 2H | 24 23 dd 1H J 86 159 | 21 20 dd 1H J 84 159 | 19 19 s 2H | 14 13 m 5H | 7 7 m 2H | 5 4 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1sc(-c2ccc(C)s2)nc1C | ir: 2 10 22 25 21 12 12 5 3 13 9 11 6 13 6 4 2 4 5 4 3 5 13 6 5 18 12 6 3 5 6 4 8 10 7 2 3 7 4 2 2 5 5 4 4 7 4 2 3 9 10 5 7 12 11 5 5 17 11 7 15 25 21 19 10 24 25 20 11 20 28 40 18 26 37 21 7 10 6 2 5 6 5 10 21 9 12 7 5 6 36 31 16 5 3 13 12 8 3 5 6 6 4 9 14 9 8 14 14 33 55 27 19 25 42 40 88 38 18 22 17 22 32 22 23 15 17 19 22 15 6 9 13 30 20 9 5 4 4 4 7 13 11 14 25 12 12 25 6 1 2 6 3 1 2 5 5 4 2 4 3 0 2 4 3 1 2 4 3 1 3 4 3 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 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 3 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 4 2 3 7 4 8 13 20 12 15 4 7 15 5 8 21 20 24 32 18 35 100 70 50 25 13 33 14 25 16 6 25 16 19 11 9 4 2 4 5 4 2 4 4 2 2 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 3 2 1 2 3 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 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 72 72 d 1H J 64 | 69 69 dq 1H J 8 66 | 43 42 q 2H J 64 | 27 26 s 2H | 24 24 d 3H J 7 | 14 13 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 | ir: 3 11 7 5 1 6 8 3 4 4 7 17 6 12 6 3 2 5 8 9 4 5 7 7 7 31 16 7 6 8 7 4 4 7 7 3 4 14 6 3 8 13 17 6 6 5 7 12 31 38 16 23 96 46 10 3 18 10 6 1 15 12 9 5 7 8 5 8 15 9 3 7 7 5 3 2 4 8 35 10 6 6 3 3 12 4 7 10 27 6 3 10 4 4 5 6 13 9 18 5 8 8 1 7 9 15 7 5 16 21 48 11 10 14 10 10 22 10 7 5 7 4 3 5 5 4 4 10 14 17 9 11 58 5 3 5 18 4 3 4 9 4 3 5 26 5 8 9 11 50 14 7 7 4 8 5 5 3 5 6 10 4 3 52 6 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 5 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 2 4 4 3 3 4 4 2 3 5 9 3 3 6 4 2 3 12 6 4 25 13 6 29 6 15 21 15 6 3 4 5 0 11 4 1 7 6 4 9 7 10 18 100 31 5 4 3 5 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 87 86 d 1H J 18 | 78 77 d 1H J 121 | 42 41 pd 1H J 16 62 | 37 36 s 3H | 35 34 m 4H | 31 30 m 4H | 19 19 p 1H J 33 | 12 11 m 2H | 10 9 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Nc1ccc(-c2cccc(-c3nc(C(C)C)[nH]c3-c3cccc(C)n3)c2)cc1 | ir: 0 2 2 2 5 4 4 1 1 2 2 2 1 3 6 2 5 9 6 1 3 9 2 1 3 3 3 2 3 7 4 13 10 8 12 18 4 3 2 1 1 3 4 8 29 2 38 25 13 5 4 8 2 3 4 3 28 10 2 1 2 2 4 1 7 4 2 3 5 8 9 6 5 4 4 2 3 3 7 3 3 4 4 3 2 1 1 1 2 1 1 2 3 3 1 1 2 2 2 3 3 1 1 3 13 3 3 2 1 1 1 1 1 1 2 3 5 3 3 2 3 2 2 4 5 4 7 7 13 4 4 2 6 7 5 4 11 44 12 5 3 11 8 9 11 10 18 30 11 17 14 46 18 11 4 17 6 1 2 6 3 4 4 2 2 1 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 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 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 3 2 1 1 1 2 1 1 2 2 1 2 3 3 6 7 5 11 100 61 7 6 2 3 3 1 2 2 2 1 0 1 1 1 1 1 1 2 3 4 10 19 26 17 11 16 22 12 3 2 2 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 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; 1HNMR: 90 90 s 1H | 80 80 t 1H J 21 | 78 78 dd 1H J 13 69 | 78 77 m 2H | 77 76 dd 1H J 75 86 | 76 76 m 2H | 76 75 m 3H | 75 74 m 1H | 33 33 p 1H J 55 | 26 26 d 3H J 7 | 22 21 s 2H | 14 14 d 6H J 56 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NO | ir: 5 6 8 8 7 7 8 6 6 8 9 14 20 19 13 6 5 17 6 6 5 9 9 6 8 5 5 5 5 6 6 7 6 5 6 6 12 6 5 4 8 5 5 4 8 7 8 18 29 10 8 5 27 15 12 10 6 22 9 7 5 5 5 6 7 17 17 8 6 10 8 9 5 5 5 4 5 5 5 5 10 6 5 5 6 6 5 5 6 6 4 4 7 9 29 24 3 9 32 6 10 6 7 19 6 8 25 11 7 5 5 5 4 5 6 7 8 7 9 14 6 6 11 5 5 7 15 7 6 6 5 5 5 5 5 7 9 10 6 5 9 5 5 5 6 11 5 5 5 34 8 5 20 21 39 11 5 83 28 22 8 0 38 1 4 7 5 4 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 4 5 5 5 6 6 6 7 6 7 10 10 12 14 21 8 5 7 6 7 10 19 20 6 5 5 5 5 6 6 6 6 5 9 10 11 11 100 58 18 10 11 15 14 17 8 6 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 4 5 5 5 5 4 5 5 5 5 5 5 4 5 4 5 5 5 5 5 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 78 77 dd 2H J 26 122 | 74 74 s 1H | 70 69 ddd 2H J 26 71 99 | 69 69 dd 2H J 47 71 | 24 24 s 4H | 24 23 s 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1CCC(N2C(=O)c3cccc(CNC(=O)c4cccs4)c3C2=O)C(=O)N1 | ir: 3 3 3 1 1 2 2 1 0 1 1 1 0 1 1 3 2 7 2 1 2 2 2 1 1 1 2 3 2 1 1 0 4 1 3 3 4 15 20 25 13 48 8 8 28 13 5 3 6 7 20 40 25 7 3 3 2 4 2 1 1 3 1 4 4 1 1 1 1 2 2 2 6 2 1 1 3 3 5 1 1 1 0 0 1 1 0 0 1 1 1 1 2 3 2 2 1 1 0 0 1 1 1 1 1 1 0 1 1 6 8 1 1 6 3 3 5 3 1 3 22 5 2 4 7 2 3 4 4 6 23 12 2 3 5 1 1 1 0 3 10 2 8 29 10 22 3 15 12 1 3 0 3 11 100 5 4 11 13 40 5 2 1 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 1 2 1 1 2 2 2 2 2 3 2 3 15 9 37 7 3 1 2 1 0 1 1 1 0 1 1 1 1 2 1 3 1 2 1 3 29 20 11 3 1 3 3 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H | 81 80 t 1H J 51 | 79 78 dd 1H J 14 69 | 78 77 m 2H | 75 74 m 2H | 72 71 dd 1H J 54 65 | 54 54 m 1H | 49 49 dd 2H J 8 52 | 29 28 m 1H | 26 25 m 2H | 21 20 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 | ir: 3 2 0 0 1 6 1 1 3 5 3 6 12 5 6 2 2 1 1 2 2 8 6 1 3 5 1 1 0 0 0 1 6 1 1 1 1 4 2 1 0 0 0 1 3 3 1 1 2 8 2 0 2 40 5 3 1 0 1 0 1 1 4 11 5 2 1 6 1 3 1 2 3 1 1 9 3 1 1 1 1 6 15 9 36 100 3 3 14 2 1 1 2 12 12 27 7 3 1 2 4 1 0 1 0 0 0 0 1 1 1 3 3 4 1 2 2 3 2 3 1 1 1 3 4 5 3 1 2 1 1 0 1 1 1 1 1 1 0 0 0 0 1 0 0 1 2 8 2 1 1 1 2 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 2 2 1 1 0 1 7 6 6 16 21 4 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 74 m 2H | 35 34 pq 1H J 15 73 | 28 27 d 3H J 15 | 24 24 d 3H J 8 | 20 19 m 2H | 17 16 m 4H | 15 14 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1OC(=O)C2CCCC=C12 | ir: 0 6 11 6 2 8 26 10 24 29 31 11 7 14 13 7 2 7 8 4 2 7 9 4 3 10 12 4 3 7 8 3 3 9 7 2 4 11 9 2 5 10 9 3 4 9 7 1 5 10 8 3 5 9 5 0 5 10 5 1 9 12 7 3 8 11 6 1 7 9 4 1 7 8 3 1 6 8 3 2 7 8 3 4 7 7 2 3 8 7 2 3 8 8 2 5 11 7 2 3 9 7 2 5 11 7 2 9 23 26 10 31 78 22 8 7 13 11 5 15 15 5 4 12 15 16 5 9 10 6 4 9 10 4 2 7 8 3 2 8 9 3 3 13 100 51 22 22 50 22 5 8 7 2 4 9 7 2 4 8 5 1 4 8 5 1 4 8 5 1 5 9 5 1 5 8 4 1 5 8 4 1 5 8 4 2 6 8 3 2 6 7 3 2 6 7 3 2 6 7 3 3 7 6 2 3 7 6 2 3 7 6 2 4 7 5 2 4 8 5 1 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 1 5 8 4 2 5 7 4 2 6 7 3 2 6 7 3 3 6 7 3 3 7 6 3 3 7 6 3 4 7 6 3 4 8 6 3 5 8 6 4 7 11 7 4 6 10 8 13 8 19 11 10 7 8 5 2 5 7 4 2 5 7 4 2 5 7 4 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 2 5 8 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 6 6 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7; 1HNMR: 69 68 tdt 1H J 9 18 51 | 36 35 tdd 1H J 10 19 56 | 24 22 m 2H | 20 19 dddd 1H J 56 68 91 125 | 19 17 m 1H | 18 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc(/C=C2\SC(=O)N(CCO)C2=O)cc1 | ir: 3 5 10 5 6 5 7 11 6 11 7 6 3 6 8 3 4 7 2 5 2 2 3 2 2 2 3 1 1 2 2 2 2 2 4 2 3 3 5 5 6 2 8 12 9 9 6 2 2 4 3 5 7 11 17 9 8 2 5 3 2 2 2 2 4 2 3 2 6 7 2 2 2 4 3 4 2 3 1 1 1 1 1 3 3 4 4 5 9 3 6 8 12 9 5 9 14 3 5 4 5 5 16 2 4 2 0 3 4 7 8 5 6 2 2 2 4 3 1 4 6 4 5 10 8 5 8 7 2 2 2 1 2 2 2 2 2 1 1 1 2 1 4 6 2 3 7 4 2 2 4 4 9 16 9 5 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 2 1 1 2 1 1 1 1 1 1 1 3 1 2 2 3 2 2 2 3 5 4 8 7 13 13 17 23 10 24 37 85 100 24 22 13 8 5 5 4 2 2 3 2 0 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 79 78 s 1H | 76 75 m 2H | 70 69 m 2H | 41 40 m 4H | 40 39 dd 1H J 59 66 | 39 38 m 2H | 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. |
CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccccc4)cc3)c(Cl)cc21 | ir: 2 3 6 4 1 5 5 3 4 5 6 3 1 5 5 2 1 4 3 3 7 5 5 2 2 5 6 8 6 6 16 12 13 7 8 2 5 16 27 100 42 27 12 6 7 5 6 3 4 4 3 0 3 4 3 10 10 8 6 1 2 4 2 3 8 6 4 12 28 20 7 3 4 7 2 3 4 6 3 6 13 3 2 1 3 3 2 7 6 5 2 4 6 4 1 4 7 6 3 3 4 3 0 2 4 2 1 5 7 4 11 8 6 11 10 6 8 5 2 5 9 7 4 5 5 9 4 6 8 5 5 7 5 6 4 6 7 2 3 5 9 5 7 34 27 44 39 21 6 5 18 12 19 4 4 5 3 1 2 3 2 3 5 5 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 3 1 2 4 3 3 4 5 3 1 3 4 6 9 18 12 30 99 43 20 7 2 5 5 3 0 4 4 3 1 3 4 3 2 3 4 3 3 5 5 7 18 42 7 3 2 4 3 2 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3; 1HNMR: 79 79 m 2H | 76 76 t 1H J 50 | 75 74 d 1H J 6 | 73 73 m 2H | 73 72 m 1H | 72 72 m 3H | 72 72 s 1H | 66 65 s 1H | 44 43 ddd 1H J 38 65 114 | 43 41 m 3H | 38 38 m 1H | 35 34 q 2H J 52 | 29 28 tt 2H J 8 52 | 25 24 dtd 1H J 39 67 136 | 23 22 dtd 1H J 38 68 138 | 12 11 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NS(=O)(=O)c1ccn2c1C(=O)OCC2 | ir: 22 15 1 12 28 12 7 11 14 7 15 24 23 23 8 23 27 17 9 18 22 10 8 15 15 6 5 9 9 3 4 11 16 24 16 8 8 1 4 9 7 1 4 11 7 4 5 11 8 0 6 11 14 16 20 10 14 5 12 24 19 5 10 13 14 2 13 11 5 1 11 15 5 4 17 11 11 19 19 25 22 20 16 17 18 15 14 16 12 8 15 19 13 22 22 35 100 22 23 17 11 15 17 10 52 34 29 10 1 8 12 7 2 9 13 8 2 9 13 14 6 16 34 21 10 21 22 18 8 9 8 5 4 8 10 5 4 7 8 3 2 8 10 6 6 8 8 3 41 36 9 2 4 9 7 1 14 13 8 1 4 9 6 1 4 10 5 0 5 9 5 0 5 9 4 0 5 9 4 1 6 8 4 1 6 8 3 1 6 8 3 2 7 7 3 2 6 7 2 2 7 7 2 3 7 6 2 3 7 6 2 3 8 6 1 4 8 5 1 4 8 5 1 4 9 5 0 4 9 5 1 5 9 4 1 5 8 4 1 5 8 4 1 6 7 3 2 6 7 3 2 6 7 3 2 6 6 2 3 7 6 2 3 7 6 2 3 8 6 2 3 8 6 2 4 9 7 3 4 8 5 1 6 8 17 3 29 17 25 4 7 8 6 3 7 8 4 4 6 8 5 3 8 13 29 23 36 13 4 6 51 46 54 4 8 9 3 3 7 7 2 3 7 6 2 3 7 6 2 4 7 5 2 4 7 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 3 2 6 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1; 1HNMR: 72 72 s 2H | 71 70 dt 1H J 8 68 | 65 65 d 1H J 70 | 45 45 dd 2H J 24 31 | 41 40 td 2H J 9 28 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O | ir: 3 3 0 3 5 6 26 20 11 1 1 2 2 1 1 2 3 6 8 20 5 7 2 6 3 3 1 6 7 12 22 19 32 30 52 29 46 26 17 22 35 11 10 16 16 7 4 2 3 6 1 2 3 4 2 4 9 7 26 4 2 0 11 4 1 1 2 6 10 20 16 1 1 2 1 14 7 1 6 3 4 7 1 3 5 3 2 1 1 3 12 8 5 3 1 4 56 56 100 10 5 2 2 1 2 12 4 18 11 25 26 11 5 14 71 70 19 3 1 4 4 4 4 3 2 1 1 3 2 2 18 13 10 3 15 19 3 2 1 2 4 7 22 48 6 5 11 15 10 7 8 20 30 11 3 2 4 14 9 4 2 1 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 2 2 1 0 1 2 1 0 2 2 2 2 5 6 15 17 35 65 44 46 43 83 78 12 8 3 3 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 87 d 1H J 17 | 78 77 d 1H J 82 | 74 73 m 2H | 72 72 dd 1H J 16 24 | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 68 dd 1H J 24 82 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc(C(O)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1 | ir: 9 7 14 16 13 8 4 7 12 3 4 2 3 3 3 2 4 12 1 2 1 1 1 3 4 1 2 3 5 4 7 8 10 2 6 6 3 3 13 8 13 17 21 4 6 11 4 23 5 8 12 4 8 6 5 5 8 3 3 2 3 2 2 2 3 3 6 18 5 23 4 7 5 3 6 9 4 8 10 38 18 8 3 2 0 1 2 4 13 2 14 9 12 12 16 49 20 3 2 4 19 4 3 1 1 5 2 1 1 1 1 4 2 1 2 1 1 2 1 1 0 2 3 2 2 3 2 4 15 4 2 1 1 1 3 8 2 1 2 5 12 6 3 7 3 5 2 2 5 6 19 10 12 7 6 8 1 1 1 1 3 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 0 0 0 0 0 0 1 1 0 0 0 2 1 1 1 1 2 1 2 6 5 10 15 100 33 10 5 5 2 2 6 56 5 4 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 74 m 2H | 74 73 m 2H | 73 72 t 1H J 79 | 71 71 m 2H | 70 70 m 2H | 69 69 m 3H | 69 68 tt 1H J 9 22 | 46 45 m 2H | 43 42 dq 1H J 25 117 | 41 40 q 2H J 66 | 40 40 dq 1H J 25 115 | 37 37 q 1H J 33 | 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. |
COc1ccc(-c2cc[nH]c(=O)c2)cc1 | ir: 4 3 4 3 3 4 4 4 6 5 3 3 2 3 3 3 3 3 3 3 3 3 2 2 3 2 2 3 3 4 3 3 3 4 4 3 3 2 2 5 4 2 34 100 40 10 5 0 2 5 10 3 3 7 15 20 16 4 3 3 6 5 5 6 18 21 69 14 3 5 4 13 9 4 3 6 6 4 3 2 3 3 3 4 4 3 2 3 4 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 4 4 8 3 4 5 3 3 3 3 3 3 5 13 9 3 3 2 2 3 3 3 3 2 3 31 8 6 7 86 25 5 3 5 5 6 19 9 7 26 9 4 3 2 4 17 5 3 4 17 8 4 2 2 2 3 2 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 4 4 5 8 13 18 21 13 25 13 5 4 3 3 3 3 3 3 3 3 4 4 3 4 4 4 5 5 15 24 33 15 7 8 8 3 3 5 4 3 3 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 78 78 dd 1H J 64 70 | 76 76 m 2H | 70 70 m 2H | 69 69 d 1H J 13 | 68 68 dd 1H J 13 71 | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCOc1ccc(-c2cc(C=O)ccc2C=O)cc1 | ir: 2 4 8 3 4 3 1 4 3 7 12 3 1 3 2 1 1 1 2 5 6 3 6 4 4 4 6 4 3 2 2 2 2 4 5 9 3 4 2 6 3 3 2 5 25 6 4 3 4 3 5 12 15 71 100 60 18 11 5 0 8 8 5 6 7 10 7 4 12 4 6 12 18 4 2 1 4 2 1 1 1 2 1 2 10 22 4 7 4 2 2 3 8 9 3 3 0 2 5 39 35 5 1 3 56 9 3 7 15 12 7 3 2 3 2 5 6 12 10 9 8 5 3 17 43 6 3 1 1 1 1 1 2 1 5 13 19 5 2 1 1 1 3 6 1 38 33 16 24 7 4 16 10 9 12 1 23 14 2 1 1 38 2 5 4 1 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 1 1 1 1 1 2 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 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 19 1 4 7 7 2 2 4 2 0 2 3 4 6 8 20 68 92 69 34 17 5 7 7 3 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 20 | 80 79 d 1H J 84 | 79 78 dd 1H J 22 84 | 75 74 m 2H | 70 69 m 2H | 40 40 m 2H | 18 17 m 2H | 15 14 m 2H | 14 12 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. |
Cc1c(C=C2C(=O)Nc3cc(NC(=O)CO)c(F)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CC2 | ir: 1 5 5 7 6 6 2 5 13 4 3 4 9 18 100 6 4 3 4 4 6 5 5 2 3 5 6 5 8 34 6 11 6 7 12 5 3 6 6 13 19 10 9 7 5 6 3 11 65 18 10 9 5 2 4 3 15 17 7 10 7 5 4 3 8 9 10 26 18 8 6 3 2 2 3 2 3 1 12 10 4 5 3 8 6 5 14 13 22 20 24 12 9 9 8 3 6 11 15 4 3 4 39 4 2 3 9 17 95 19 6 3 1 3 3 8 5 9 5 7 6 9 4 4 3 3 10 5 7 8 2 4 1 4 5 3 11 17 52 17 5 3 3 2 3 24 8 27 8 7 1 7 32 23 38 6 3 51 36 14 3 7 2 5 13 4 3 1 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 1 1 1 0 1 1 1 1 0 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 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 2 1 1 1 1 2 2 1 1 1 2 2 2 3 5 5 2 2 2 3 4 5 10 10 9 6 14 15 7 5 4 5 6 10 26 17 4 2 6 5 2 5 12 4 8 6 5 4 15 18 43 52 39 18 16 11 5 9 4 4 2 3 3 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 92 92 d 1H J 31 | 77 76 d 1H J 121 | 75 75 s 1H | 72 71 d 1H J 42 | 43 42 d 2H J 55 | 38 37 m 2H | 36 36 t 2H J 60 | 32 32 t 1H J 55 | 30 29 s 3H | 29 29 m 2H | 29 28 t 2H J 60 | 28 27 td 5H J 20 36 | 19 18 p 4H J 20 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(c2ccc(OCc3ccccc3)cc2)CCN(CC2NC(=O)NC2=O)C1=O | ir: 6 4 2 3 4 2 7 12 41 8 2 2 2 2 5 4 8 6 4 9 2 3 3 2 2 2 2 3 5 6 6 7 10 42 8 4 2 8 14 62 9 20 10 18 40 37 88 3 10 6 3 4 7 11 15 35 13 8 2 6 5 18 4 4 4 16 12 5 6 8 3 2 3 3 8 5 4 3 2 1 2 2 3 11 9 6 3 3 7 8 2 2 8 3 2 3 4 5 4 4 2 2 1 2 3 3 3 3 3 6 9 7 18 8 10 5 2 4 10 18 22 13 13 7 6 6 1 4 5 4 3 4 12 5 9 8 9 2 1 2 2 2 33 8 7 3 4 11 37 36 24 84 12 8 4 4 3 0 1 4 3 1 47 100 6 4 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 3 3 3 2 7 6 7 7 15 21 26 98 16 8 5 4 3 3 2 2 2 2 1 1 3 3 1 0 2 3 1 2 6 16 32 66 4 11 11 10 3 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 s 1H | 85 85 d 1H J 70 | 74 74 ddt 2H J 9 15 66 | 74 73 m 2H | 73 73 m 1H | 73 72 m 2H | 69 69 m 2H | 51 50 t 2H J 9 | 47 46 dt 1H J 26 70 | 40 39 dd 1H J 26 130 | 37 36 dd 1H J 26 128 | 36 36 ddd 1H J 40 59 123 | 34 33 ddd 1H J 40 59 121 | 24 24 ddd 1H J 39 59 128 | 21 21 ddd 1H J 40 59 128 | 15 15 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 | ir: 3 9 5 3 3 1 1 3 1 7 2 2 4 6 12 3 4 4 4 4 5 6 4 4 10 4 8 13 18 31 7 7 7 5 10 3 7 15 9 2 6 2 6 5 15 35 11 15 11 2 28 34 12 7 4 4 4 7 6 0 4 7 4 4 3 2 7 8 5 2 3 3 2 4 5 1 3 3 2 1 2 1 2 2 3 2 3 3 20 4 3 9 5 7 6 6 3 3 5 5 6 5 5 10 6 7 10 2 4 8 6 5 9 3 2 2 4 3 0 3 9 6 3 3 6 3 4 9 9 55 7 7 6 9 8 6 8 2 1 24 4 1 2 6 54 27 17 30 32 58 31 18 12 57 4 2 2 4 32 7 2 2 3 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 2 0 0 1 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 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 2 1 2 2 1 1 2 1 2 3 6 3 9 29 7 2 4 6 3 4 4 1 1 2 1 3 1 2 1 3 2 2 3 3 2 11 4 2 2 10 14 26 15 4 4 3 11 100 10 3 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 4 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 121 | 54 54 s 2H | 46 45 d 1H J 75 | 42 41 p 1H J 62 | 37 36 m 2H | 36 35 ddd 1H J 53 72 116 | 34 34 m 2H | 22 22 s 3H | 21 21 dtp 1H J 21 32 44 | 20 19 dddd 1H J 32 53 70 126 | 18 17 ddtd 1H J 18 52 70 124 | 14 14 s 8H | 13 12 m 2H | 12 12 dd 3H J 15 59 | 11 11 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)/C=C(/OC)c1ccccc1C | ir: 1 3 14 6 4 8 10 6 3 6 14 7 1 4 3 2 2 2 3 1 1 3 3 2 1 4 6 6 3 5 6 2 2 3 3 2 2 3 5 35 6 5 13 6 14 6 2 2 2 4 2 1 2 3 2 0 2 3 2 0 3 5 2 2 2 3 3 6 9 32 12 15 7 34 11 100 9 7 2 1 3 4 3 2 5 4 1 1 4 5 6 2 2 2 0 1 2 2 1 3 3 2 1 1 3 6 2 2 3 3 6 65 18 2 3 3 7 6 4 2 5 2 2 4 6 59 4 3 7 5 2 3 2 3 2 3 3 11 32 13 7 2 2 8 7 3 1 4 38 3 1 3 4 1 4 4 2 4 78 11 13 58 14 7 3 1 2 3 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 2 2 3 3 3 2 5 3 1 3 7 12 9 18 19 31 95 42 8 2 1 2 4 2 2 3 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 75 75 dd 1H J 15 79 | 74 73 td 1H J 15 77 | 72 72 m 2H | 56 56 s 1H | 39 39 s 3H | 37 37 s 3H | 24 24 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2nccc(CCC3(O)CCC4(CC3)OCCO4)c2n1 | ir: 3 3 9 4 1 3 3 5 5 9 6 18 8 23 12 16 13 13 7 10 4 4 9 2 35 3 2 11 4 1 4 3 1 1 2 1 2 1 1 2 3 2 1 3 5 2 1 1 1 1 2 15 3 9 2 5 14 8 2 2 2 2 3 4 16 4 1 2 2 8 2 2 2 2 4 5 5 8 15 25 2 1 2 1 1 2 2 2 4 2 6 4 4 4 9 14 12 8 19 5 3 2 3 2 5 3 3 4 3 3 4 4 2 6 17 11 3 4 3 5 7 5 3 4 2 3 4 2 4 2 2 2 3 1 3 3 6 4 6 2 1 2 3 17 18 17 3 2 1 1 1 1 2 44 1 4 2 0 2 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 3 4 2 2 1 2 3 3 9 9 2 17 22 3 2 4 9 100 29 19 2 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 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 49 | 82 81 d 1H J 81 | 72 72 dt 1H J 9 49 | 70 70 d 1H J 81 | 40 39 s 2H | 39 39 s 3H | 31 31 td 2H J 8 85 | 22 22 s 1H | 20 19 m 4H | 19 17 m 5H | 17 16 ddd 2H J 73 92 137 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSC(=NS(C)(=O)=O)NCCSCc1csc(NC(N)=NCC(F)(F)F)n1 | ir: 14 16 3 5 6 5 5 6 14 8 3 8 8 12 4 3 3 3 4 3 2 5 8 7 15 9 5 3 5 5 7 7 6 7 4 11 26 23 13 6 8 6 6 5 5 6 6 5 4 3 3 2 3 5 5 3 4 10 8 7 8 5 16 0 4 6 7 3 4 6 8 4 3 3 4 3 6 15 6 12 4 6 6 11 47 36 12 11 42 60 4 7 7 57 8 21 11 4 3 5 3 7 7 3 5 5 4 4 10 24 15 7 4 8 9 19 7 9 4 23 7 9 5 4 8 11 4 7 3 4 4 11 6 4 3 4 5 15 5 3 3 3 4 3 5 5 4 4 9 12 3 3 5 5 4 5 4 6 8 4 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 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 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 2 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 4 3 6 3 4 4 6 6 14 4 7 4 6 4 4 5 28 100 26 4 7 9 5 3 3 4 4 3 2 3 3 3 3 3 4 4 10 6 5 18 11 17 17 15 5 3 2 3 3 3 2 3 2 3 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 84 84 s 1H | 71 71 t 1H J 31 | 71 70 s 2H | 66 66 d 1H J 9 | 41 40 q 2H J 119 | 37 37 d 2H J 9 | 34 34 q 2H J 30 | 33 32 s 3H | 29 28 t 2H J 30 | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)[C@@H]1CC=C[C@@H]1C1SCCCS1 | ir: 3 3 3 2 2 2 3 3 2 3 2 3 5 8 7 8 4 5 12 10 23 20 11 7 5 4 3 6 13 7 5 4 4 3 5 3 3 3 3 3 4 3 3 5 3 3 3 3 3 3 3 3 3 5 5 4 3 3 2 3 3 3 3 2 3 3 4 4 3 3 3 4 3 3 3 3 4 10 42 17 4 4 4 4 5 3 3 3 3 3 3 3 3 3 3 5 12 5 4 3 4 4 7 5 4 4 5 7 9 5 10 7 4 10 5 5 4 4 5 3 4 3 4 3 4 4 3 3 4 3 2 6 5 4 2 3 5 4 5 6 6 1 7 100 0 7 5 1 2 5 3 2 9 7 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 4 3 4 3 4 6 12 7 10 8 11 13 5 3 3 2 2 3 3 3 2 13 37 4 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 60 59 ddtt 1H J 9 18 64 73 | 58 58 m 1H | 42 42 dd 1H J 17 52 | 34 33 dttd 1H J 9 18 53 63 | 29 28 m 2H | 28 28 tdt 1H J 17 51 70 | 28 27 m 2H | 26 26 dtdd 1H J 9 18 51 150 | 25 24 dddt 1H J 9 49 68 149 | 19 18 p 2H J 51 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCOC(=O)N1CCC(C(=O)CCl)=C[C@@H]1C | ir: 10 13 5 5 12 18 18 50 28 7 11 5 13 31 57 14 45 21 5 5 6 7 5 2 6 9 7 5 5 12 20 3 4 11 12 15 6 5 6 2 4 7 4 2 3 11 23 1 3 8 4 2 4 6 3 1 3 6 7 8 5 9 4 8 14 10 10 41 30 21 13 20 19 9 6 5 7 6 1 1 4 5 4 6 8 5 3 3 4 4 3 3 7 4 3 8 12 6 5 12 8 6 2 5 6 5 8 10 8 6 11 25 20 23 93 54 26 14 19 34 26 30 17 32 26 30 4 13 25 6 9 12 9 8 13 53 64 100 52 24 13 9 5 6 11 15 19 6 6 3 62 28 6 2 3 7 10 6 3 6 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 4 4 4 2 3 8 8 9 7 18 9 14 15 12 18 47 32 17 26 11 12 15 6 7 8 13 10 2 5 5 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 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 2 3; 1HNMR: 67 66 dq 1H J 10 52 | 60 59 m 1H | 53 53 ddt 1H J 13 25 170 | 53 52 m 1H | 47 46 dt 2H J 13 60 | 46 45 m 1H | 42 42 s 2H | 38 38 ddd 1H J 43 66 117 | 37 36 ddd 1H J 45 68 116 | 29 27 m 2H | 14 14 dd 3H J 10 78 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCn1c(=O)n[n+]([O-])c2ccc(Cl)cc21 | ir: 10 9 2 6 10 6 3 7 11 6 6 17 16 6 2 7 11 7 3 7 8 4 3 12 17 3 5 10 8 4 4 10 10 3 4 9 8 2 6 13 8 0 7 48 96 45 7 8 6 4 6 10 40 27 23 11 10 2 6 10 11 5 10 17 11 7 41 43 17 15 28 20 9 7 8 8 8 7 7 7 5 4 7 7 4 4 6 7 3 4 8 7 6 4 9 10 5 5 7 6 3 4 8 6 2 4 8 7 4 5 9 6 3 7 13 22 44 25 14 33 8 9 9 9 4 7 11 14 12 20 46 7 9 14 15 8 7 15 40 27 8 13 9 5 5 7 8 20 35 73 31 7 5 8 10 35 7 100 49 2 4 9 6 15 40 11 6 3 5 8 5 2 5 8 5 2 5 7 4 2 5 7 4 2 5 7 4 3 6 7 4 3 6 7 3 3 6 6 4 3 6 6 3 3 6 6 3 4 7 6 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7 5 2 5 7 5 2 5 7 4 2 5 7 4 2 5 7 4 3 5 7 4 3 6 6 4 3 6 6 4 3 6 6 3 3 6 6 3 4 6 6 3 4 7 5 3 4 7 6 4 5 9 7 4 7 11 22 8 9 14 14 14 49 22 44 19 17 22 16 9 9 8 5 4 6 7 5 3 5 7 4 3 5 6 4 3 6 6 4 4 6 6 3 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 4 7 5 2 5 7 5 3 5 7 4 3 5 7 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 4 6 6 4 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 5 7 5 3; 1HNMR: 59 58 ddt 1H J 62 112 167 | 53 52 ddt 1H J 13 24 167 | 52 51 m 1H | 49 48 dt 2H J 15 64 | 30 29 s 1H | 27 26 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CCCc1cccc2c1OCO2 | ir: 8 5 2 5 8 4 2 13 7 6 10 10 11 6 8 7 7 4 2 6 7 3 3 6 7 3 3 7 7 2 3 7 8 6 2 31 5 6 5 5 5 4 5 9 12 5 5 100 26 2 4 7 5 2 4 7 5 51 12 17 7 3 15 9 26 19 8 9 7 4 6 11 12 4 6 7 22 7 5 6 4 7 8 6 3 3 6 6 3 4 7 10 4 6 12 7 3 4 7 6 3 13 22 7 3 4 7 5 2 5 10 10 8 5 7 5 2 5 10 7 5 7 10 4 3 5 7 5 3 5 7 5 3 6 7 22 13 6 9 17 50 16 8 3 4 6 6 3 5 6 6 3 4 6 5 4 77 9 5 2 4 7 5 2 4 7 5 2 5 7 5 2 5 7 4 2 5 7 4 11 6 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 2 4 7 4 2 5 7 5 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 5 7 10 6 5 8 7 5 4 6 21 11 7 13 78 46 0 6 9 5 3 6 8 5 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 5 4 4 5 5 4 4 5 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3; 1HNMR: 70 69 t 1H J 81 | 69 68 dq 1H J 9 80 | 68 67 dd 1H J 13 82 | 59 59 s 2H | 30 29 td 2H J 8 58 | 28 27 t 2H J 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)c1cccc(C(F)(F)F)c1 | ir: 2 3 10 5 1 3 8 3 1 3 5 3 6 3 4 2 3 9 7 2 1 3 10 2 1 3 3 2 2 4 5 13 10 8 4 1 1 4 3 0 1 4 3 0 3 6 5 22 58 7 3 1 2 5 3 1 5 5 15 8 5 6 3 1 5 8 6 15 11 13 5 2 11 12 9 8 6 6 3 5 8 12 16 11 10 6 2 4 12 12 7 18 63 11 10 4 9 25 100 69 49 5 4 3 3 3 3 3 8 9 23 43 58 8 3 7 20 18 5 5 8 9 5 7 9 7 2 17 13 7 3 4 9 4 4 2 4 3 2 4 5 55 9 4 4 2 2 4 3 1 2 4 3 9 3 5 17 4 3 5 4 1 7 15 10 3 3 4 2 1 2 3 2 1 2 4 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 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 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 3 1 1 3 3 1 2 4 2 1 2 4 4 2 3 5 8 6 8 10 34 41 74 16 7 2 3 4 3 2 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 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; 1HNMR: 74 74 dd 1H J 70 107 | 72 72 t 1H J 22 | 71 71 ddd 1H J 11 22 106 | 67 67 ddd 1H J 13 22 71 | 29 29 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCC(C)C)O2 | ir: 2 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 2 1 2 3 1 2 1 2 5 4 13 9 3 1 1 1 2 1 4 23 20 15 6 8 4 9 3 1 3 1 4 2 1 1 1 2 1 1 1 2 2 2 2 1 1 0 1 1 1 1 1 2 1 3 4 5 2 1 1 1 1 2 1 1 2 8 10 2 2 2 3 19 14 5 5 3 1 1 1 1 1 1 1 1 3 7 1 1 0 2 4 2 1 3 11 3 3 2 2 3 10 4 2 4 6 6 6 6 3 4 2 2 2 3 4 7 3 2 1 2 1 2 1 1 1 2 3 2 10 21 41 13 5 1 1 1 1 1 1 1 1 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 2 2 1 1 1 1 1 2 2 1 2 3 2 1 2 2 2 4 4 6 9 3 2 2 2 1 1 1 1 0 6 100 9 3 2 1 2 3 2 0 1 1 1 1 2 3 12 11 24 16 2 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 t 1H J 49 | 48 48 s 1H | 32 32 dq 1H J 51 135 | 32 31 dq 1H J 51 135 | 29 28 ddd 1H J 53 79 159 | 28 27 ddd 1H J 54 81 159 | 25 24 ddd 1H J 53 80 145 | 22 21 ddd 1H J 53 79 145 | 22 21 s 3H | 21 21 d 6H J 53 | 17 16 dp 1H J 66 133 | 15 14 m 5H | 10 9 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1c(Cl)cc(C(=O)NNC(=O)C2CCN(C3CC3)CC2)c2c1CCCO2 | ir: 8 6 6 5 8 5 2 4 2 1 1 1 1 3 2 2 2 2 3 2 1 3 2 1 1 2 3 2 2 2 7 3 3 5 5 3 1 3 2 4 3 1 3 1 3 9 24 10 5 3 4 1 2 3 1 1 2 2 1 1 2 2 1 3 1 1 1 1 2 2 1 4 1 1 1 1 1 4 1 1 1 3 3 2 2 13 1 5 1 2 1 0 1 1 1 1 4 9 1 3 2 1 1 4 2 2 1 2 2 2 0 3 2 1 3 2 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 1 0 1 2 1 1 1 4 9 16 5 3 1 2 2 1 2 1 1 3 4 2 9 2 16 5 2 3 2 1 4 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 2 2 1 1 1 3 2 3 3 2 1 1 2 2 4 1 2 1 1 0 1 1 1 0 1 1 1 1 1 4 57 2 1 3 7 15 7 4 3 4 5 6 100 28 5 2 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 96 96 d 1H J 66 | 78 77 s 1H | 50 49 s 2H | 42 41 m 2H | 29 28 m 4H | 28 27 ddd 2H J 60 88 123 | 25 24 p 1H J 55 | 24 24 p 1H J 57 | 21 19 m 5H | 18 17 ddt 2H J 58 88 132 | 11 10 m 2H | 8 8 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC(=O)c1cccc(CNc2ccc3nc(-n4cc(C(=O)O)cn4)[nH]c(=O)c3c2)c1 | ir: 3 1 3 5 3 8 15 20 2 7 4 4 5 10 10 4 6 4 16 7 23 9 18 89 12 8 3 7 3 4 2 1 2 5 4 3 7 100 7 9 6 2 9 2 2 3 6 8 42 1 2 4 5 2 5 32 12 0 1 4 6 0 2 2 1 3 15 7 10 2 4 3 5 2 3 3 1 10 43 4 6 5 6 3 2 2 1 2 3 1 2 2 2 8 2 2 1 1 1 3 1 6 6 1 2 1 1 16 2 1 1 2 3 2 1 3 7 9 12 6 3 3 2 4 4 16 10 7 4 2 4 2 1 2 1 1 8 15 3 13 10 6 2 2 3 21 23 29 4 2 5 37 9 21 14 35 2 7 28 12 30 13 11 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 4 6 17 14 7 3 3 7 3 2 4 9 26 3 1 1 2 1 2 4 16 5 4 4 8 5 9 56 10 7 4 3 7 30 3 1 2 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 80 80 s 1H | 80 79 dt 1H J 11 23 | 78 77 m 1H | 76 75 d 1H J 87 | 74 73 m 2H | 73 73 d 1H J 22 | 73 72 s 2H | 68 67 dd 1H J 22 88 | 59 58 t 1H J 53 | 46 45 dt 2H J 8 54 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 | ir: 19 9 11 12 18 14 29 15 12 12 19 9 6 8 9 14 12 3 2 2 1 10 2 1 0 3 5 3 2 6 4 1 2 2 2 10 6 11 7 2 1 5 3 1 2 3 4 3 3 3 2 2 5 16 48 41 6 10 7 6 4 4 4 0 2 3 1 1 4 9 11 3 3 4 2 2 3 3 3 15 3 2 1 1 3 3 4 2 3 7 3 2 3 2 2 4 3 5 2 2 5 5 9 25 14 7 4 4 10 6 2 4 4 4 12 11 16 6 19 17 18 8 9 21 4 5 4 5 9 7 7 8 7 5 7 9 12 10 18 13 6 3 3 13 10 2 1 2 3 6 21 100 7 4 3 2 2 0 1 2 3 8 4 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 0 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 2 3 3 3 3 4 2 1 3 4 5 9 15 12 10 16 9 5 4 2 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 85 85 dt 1H J 9 19 | 79 79 d 1H J 86 | 76 75 ddt 1H J 8 18 85 | 40 40 s 2H | 38 37 m 2H | 34 34 m 2H | 27 27 dt 2H J 8 79 | 20 19 m 4H | 17 16 m 2H | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)C(N)CCc1ccc2c(c1)OCCCO2 | ir: 3 4 2 3 1 2 3 2 2 2 2 2 2 2 2 2 4 5 2 4 2 2 2 4 3 4 2 2 1 2 2 2 2 2 2 5 5 3 3 2 2 2 3 2 2 7 3 5 3 3 3 1 3 9 44 6 42 27 41 15 52 14 6 6 4 6 8 5 34 4 24 20 8 9 22 52 15 9 25 7 28 18 6 7 3 3 6 13 3 4 3 3 3 5 5 5 3 3 2 2 4 3 2 3 2 2 1 2 4 4 6 7 20 8 5 6 4 6 5 6 4 7 3 18 20 7 34 9 5 17 9 67 66 21 11 10 6 17 11 5 7 4 4 7 13 3 2 2 2 7 6 1 3 10 2 1 2 2 2 1 2 5 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 2 2 1 2 2 2 2 3 2 3 2 2 2 5 5 3 5 4 4 7 3 6 11 19 32 17 76 15 0 2 3 2 2 2 3 2 2 3 4 12 37 68 12 17 11 7 8 5 26 100 10 5 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 68 67 d 1H J 87 | 67 67 ddt 1H J 9 18 87 | 66 65 dt 1H J 8 17 | 42 41 q 4H J 67 | 28 27 dtt 1H J 9 83 136 | 27 26 m 1H | 26 26 m 1H | 22 21 p 2H J 67 | 19 18 dtd 1H J 59 84 143 | 16 15 m 2H | 13 13 d 2H J 65 | 9 8 ddd 6H J 15 61 214 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CC1(c2cccc(OC)c2)CCCCC1O | ir: 14 8 10 8 2 4 5 4 6 3 4 4 6 4 8 4 3 1 5 1 2 4 4 2 1 2 4 10 2 6 24 3 7 3 1 11 2 1 1 1 2 2 3 2 2 1 12 21 18 24 5 6 1 2 3 2 2 5 3 3 3 3 2 8 7 6 8 10 15 33 14 3 13 22 17 20 7 18 4 6 10 9 5 14 13 16 86 45 85 23 18 6 4 19 15 9 2 3 6 4 3 6 13 9 3 2 3 3 2 4 6 3 2 3 12 21 3 11 4 4 8 9 7 13 7 7 1 5 5 6 15 6 5 5 7 11 10 2 2 2 4 10 17 11 81 46 4 1 2 2 1 1 1 11 2 4 6 13 7 2 1 1 8 5 8 5 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 1 1 2 1 2 2 2 3 1 5 3 7 8 5 4 5 7 4 9 38 21 23 13 31 59 34 9 3 3 11 56 100 17 1 4 4 2 2 1 2 1 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 1H | 71 70 m 1H | 68 68 m 2H | 42 41 d 1H J 65 | 41 40 m 2H | 38 38 s 3H | 33 32 d 1H J 51 | 32 32 s 0H | 30 29 d 1H J 179 | 22 21 ddd 1H J 51 78 140 | 20 19 m 2H | 18 16 m 3H | 17 15 m 2H | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)C1CCC(Oc2ncnc3sc4c(c23)[C@H](CCO)CC4)CC1 | ir: 1 1 2 2 2 2 1 2 1 2 1 1 1 2 2 7 1 1 2 8 4 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 2 5 21 20 2 2 4 1 1 1 1 1 2 1 1 1 1 1 1 3 1 6 4 2 2 1 1 1 1 3 2 1 2 1 2 2 2 2 2 3 2 2 1 3 1 2 3 5 3 2 14 15 19 11 5 9 4 5 9 30 1 3 2 1 1 2 2 1 2 1 4 5 4 8 2 2 3 2 1 1 1 3 1 2 3 1 5 1 1 5 5 9 7 8 5 2 1 6 1 1 3 1 1 0 0 1 0 1 0 1 1 2 6 1 2 45 1 2 10 100 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 2 1 2 3 6 4 10 5 4 6 5 4 6 2 2 17 5 3 4 1 5 3 6 3 4 12 43 10 8 3 2 4 1 1 2 1 1 2 1 1 1 2 2 2 3 2 2 2 2 1 2 1 2 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 49 48 p 1H J 57 | 38 37 dq 1H J 57 115 | 37 36 dq 1H J 58 116 | 30 30 t 1H J 59 | 30 29 dddd 1H J 17 50 68 143 | 29 28 ddd 1H J 51 69 145 | 28 27 tddd 1H J 17 31 50 66 | 27 26 m 1H | 23 22 d 6H J 15 | 21 20 m 4H | 19 17 m 7H | 17 16 dddd 2H J 54 66 81 122 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c1-c1ccc(C(C)C)cc1 | ir: 3 2 6 3 1 2 2 2 0 2 2 2 1 2 4 7 10 5 7 5 2 5 3 2 4 13 20 3 5 3 3 1 2 8 2 2 5 8 16 4 7 5 16 41 21 14 7 5 6 24 45 11 8 42 27 33 47 66 18 2 35 7 2 2 4 4 6 49 6 7 3 2 4 3 3 1 4 2 3 6 2 5 2 3 4 8 3 2 4 12 7 7 3 3 5 11 10 7 7 11 8 6 3 12 18 10 4 1 3 3 5 7 8 31 100 36 25 5 1 12 7 4 2 7 5 6 12 26 8 6 4 2 4 9 1 3 2 2 4 22 15 3 3 8 31 5 4 4 15 11 9 10 61 25 8 9 5 9 5 3 1 1 2 2 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 0 1 2 2 2 3 3 1 1 1 2 2 1 2 2 3 8 9 9 41 82 34 21 4 7 5 5 2 2 2 2 2 2 2 3 3 3 4 5 57 89 19 8 12 13 28 11 4 3 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 89 88 s 1H | 77 77 m 2H | 77 76 s 1H | 75 75 m 2H | 73 73 t 1H J 81 | 73 72 m 2H | 71 70 dd 1H J 17 81 | 70 69 m 2H | 39 39 s 2H | 33 33 m 4H | 30 29 m 4H | 30 29 m 1H | 20 19 p 1H J 33 | 13 12 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=CC1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 | ir: 5 6 11 3 3 3 3 2 2 7 13 3 1 5 2 2 1 2 3 1 2 4 9 5 15 5 8 4 5 11 38 36 18 6 6 8 5 14 25 32 88 26 21 8 6 8 8 4 3 5 6 7 5 6 6 11 5 3 4 1 5 6 5 4 3 3 5 10 15 28 4 6 5 4 2 1 7 7 15 4 3 3 6 8 27 19 24 15 3 25 44 13 9 6 7 7 10 18 30 12 12 7 13 11 16 14 6 6 18 10 2 3 6 3 1 2 3 2 1 4 6 6 4 3 8 9 3 5 4 6 5 7 10 8 18 58 23 16 7 4 5 11 14 100 29 14 9 9 18 12 10 10 10 4 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 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 1 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 3 4 5 5 4 2 5 11 12 12 20 30 36 93 41 32 10 6 4 5 4 2 2 3 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 dp 1H J 10 76 | 73 72 m 4H | 73 73 s 7H | 37 37 d 2H J 124 | 36 35 d 2H J 125 | 32 31 dtdd 1H J 19 32 49 65 | 27 26 dp 1H J 54 75 | 21 20 ddd 1H J 45 57 123 | 20 18 m 3H | 17 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br | ir: 4 4 7 8 4 6 4 3 5 15 24 15 8 7 7 9 4 2 2 1 4 1 1 1 3 1 2 1 1 2 3 2 1 2 2 4 3 6 6 100 10 21 9 7 3 5 7 1 3 2 2 1 4 14 9 13 6 6 6 3 1 2 3 2 1 3 2 3 2 2 4 4 7 1 2 2 1 1 1 1 1 1 1 1 1 3 5 3 4 4 6 12 2 1 2 2 2 9 7 4 3 3 4 3 3 2 3 2 1 4 4 8 25 10 7 7 1 3 11 18 14 18 11 15 8 13 13 14 3 6 14 10 11 3 11 13 8 3 8 14 4 3 5 9 12 9 4 1 6 10 85 50 21 0 4 4 1 0 1 1 2 2 1 1 1 0 1 1 1 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 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 2 3 2 1 2 3 3 1 7 7 6 37 38 10 17 13 22 13 5 4 3 4 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 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: 78 77 m 2H | 76 75 d 1H J 87 | 39 39 p 1H J 60 | 37 36 ddd 2H J 57 84 121 | 34 33 ddd 2H J 57 84 121 | 33 32 p 1H J 61 | 24 24 s 3H | 22 21 ddt 2H J 58 84 119 | 19 18 ddt 2H J 58 84 119 | 15 14 s 7H | 9 8 m 2H | 6 6 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C(=O)O)CNc2cc(Cl)ccc2O1 | ir: 7 5 5 3 3 3 3 5 3 6 9 6 7 9 9 5 8 15 15 17 16 9 5 8 17 8 5 5 5 3 3 3 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 5 3 3 4 3 3 3 4 3 15 4 4 4 3 4 6 6 4 12 53 7 8 14 31 9 7 7 5 5 4 4 3 6 7 4 10 3 3 3 4 8 4 3 3 5 7 9 3 3 3 3 3 3 3 3 4 7 16 3 4 7 9 7 5 4 3 2 4 4 3 4 11 5 4 2 3 3 3 3 4 7 13 44 5 4 3 36 3 3 3 5 4 28 6 6 23 5 4 3 2 3 4 3 0 7 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 5 4 3 3 3 3 3 3 3 3 3 3 4 5 14 2 18 35 7 10 5 3 3 6 3 4 100 23 5 3 6 4 3 3 4 3 3 3 6 9 11 30 73 11 6 4 3 3 3 3 3 3 3 3 4 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 99 98 s 1H | 71 70 dd 1H J 21 81 | 70 69 d 1H J 82 | 69 69 d 1H J 21 | 62 62 t 1H J 46 | 42 42 dd 1H J 46 143 | 40 39 dd 1H J 46 143 | 16 16 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC(=NCc1ccccc1)c1ccc(N(C)C)cc1 | ir: 3 3 2 4 9 9 1 5 7 7 4 3 10 10 12 6 8 7 12 11 9 16 5 4 4 2 5 11 12 10 13 10 9 5 4 7 6 4 11 16 31 5 9 4 9 5 7 4 12 5 5 6 11 7 10 56 28 22 13 6 2 2 5 4 4 12 12 15 30 53 21 9 8 16 11 9 8 3 4 5 0 2 6 5 3 2 5 10 27 23 5 22 9 7 16 13 8 38 16 5 3 2 4 3 3 2 6 3 8 7 9 3 1 7 15 9 2 7 10 10 8 17 20 14 19 13 24 21 28 10 11 18 10 9 20 53 9 8 4 6 9 33 68 65 11 10 5 4 5 5 25 40 64 12 7 3 2 2 2 1 1 3 4 5 17 3 2 2 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 2 2 3 0 4 5 3 4 3 4 5 6 8 14 34 44 80 100 56 51 12 5 6 5 5 2 3 2 1 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 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 76 75 m 2H | 73 73 m 2H | 73 73 s 2H | 73 72 m 1H | 68 68 m 2H | 49 49 d 2H J 8 | 29 29 s 5H | 29 28 t 2H J 65 | 17 16 dtd 2H J 65 72 136 | 10 9 t 3H J 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cccc(-c2cccc(NC(=O)OC3CN4CCC3CC4)c2)c1 | ir: 14 8 7 3 0 1 1 3 6 2 1 1 1 1 1 1 5 3 1 1 2 1 1 3 1 1 2 6 10 4 23 11 21 22 20 3 3 6 7 4 0 2 2 1 5 18 7 22 23 12 3 1 2 2 2 0 1 2 4 2 4 2 2 2 3 10 23 3 4 16 2 2 2 2 6 7 1 2 4 3 10 33 21 3 1 1 1 1 1 1 3 2 2 1 2 26 1 10 6 8 3 6 10 4 12 8 4 2 5 5 2 2 4 3 6 3 2 2 4 2 3 1 3 2 2 7 3 3 4 1 2 1 1 1 1 1 1 2 4 41 3 2 5 6 100 16 4 2 8 51 10 6 11 28 14 3 2 1 1 13 15 3 3 2 5 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 0 1 1 1 0 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 3 2 1 2 1 2 5 4 7 10 2 12 58 82 7 5 2 3 3 3 0 2 2 1 0 1 1 1 1 1 1 1 1 2 3 7 15 79 13 3 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 1H | 76 75 m 3H | 74 73 m 3H | 73 72 ddq 1H J 9 20 76 | 70 70 s 1H | 49 49 dt 1H J 24 57 | 30 30 dd 1H J 24 117 | 30 29 ddd 2H J 46 72 117 | 28 27 m 5H | 21 20 dp 1H J 48 58 | 19 18 ddt 2H J 47 71 141 | 17 16 ddt 2H J 48 73 143 | 13 12 t 3H J 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1ccc2[nH]c(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1 | ir: 1 14 2 2 5 2 3 1 2 2 1 2 2 3 4 1 4 2 4 2 9 14 31 24 13 14 8 3 6 6 5 15 4 2 3 4 3 2 2 4 8 18 25 5 18 10 3 3 1 2 3 6 16 12 8 3 2 1 1 3 1 4 1 1 1 3 4 10 7 2 1 1 1 1 1 2 3 38 4 8 3 4 5 2 1 1 2 1 2 2 2 2 1 1 0 2 1 1 2 18 8 5 4 3 3 4 16 14 6 2 3 1 3 12 4 4 1 1 1 2 1 2 1 1 2 5 12 9 8 7 7 4 4 22 19 4 4 1 10 7 2 6 9 18 8 14 23 14 7 3 1 1 3 6 30 10 10 5 4 5 30 0 4 2 2 1 0 1 1 0 0 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 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 1 0 1 1 1 0 1 2 1 0 2 2 1 1 3 6 6 58 11 14 6 18 3 5 6 3 29 100 9 5 3 0 1 1 1 1 1 1 1 1 2 5 5 29 49 14 5 3 4 2 1 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 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; 1HNMR: 81 81 d 1H J 21 | 80 79 dd 1H J 22 79 | 77 76 d 1H J 79 | 75 75 d 1H J 77 | 75 74 dt 1H J 9 79 | 74 73 d 1H J 77 | 69 68 m 3H | 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. |
COC(=O)C(OC(C)=O)c1cccc(Br)n1 | ir: 32 18 5 5 6 12 2 3 4 3 2 2 2 2 1 4 30 5 2 5 3 9 2 2 3 4 5 5 6 4 10 3 3 7 7 3 2 2 2 1 2 3 3 12 15 61 100 18 13 4 4 0 2 4 2 1 3 3 2 1 3 3 2 7 7 10 12 8 4 1 2 3 3 3 6 16 4 2 3 6 3 2 2 1 1 1 2 2 3 1 1 1 3 5 1 2 2 3 5 6 40 8 26 9 6 2 2 2 2 3 1 1 2 2 3 3 7 7 5 6 10 9 16 12 5 7 5 6 3 3 2 2 3 3 3 36 100 17 7 1 6 5 6 40 45 5 7 8 2 2 2 3 6 24 21 20 4 6 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 2 2 2 2 3 4 3 5 7 6 4 5 5 10 15 9 40 35 19 6 8 4 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; 1HNMR: 78 77 m 1H | 77 77 t 1H J 76 | 74 73 dd 1H J 13 75 | 64 63 d 1H J 8 | 38 38 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. |
Clc1c(NC2CCC(c3ccccc3)CC2)cnn2c(CC3CC3)nnc12 | ir: 9 3 4 4 2 19 8 5 5 28 10 4 3 13 4 13 42 55 30 15 4 8 7 7 6 4 4 7 10 6 13 16 6 9 6 13 15 7 6 1 5 29 4 7 3 4 3 3 4 7 2 2 3 11 4 3 3 2 4 5 3 3 5 1 3 3 4 2 7 10 11 5 5 4 2 3 5 3 5 6 4 4 2 3 4 5 6 3 3 6 2 5 5 3 2 2 5 10 17 5 8 2 7 4 3 3 5 4 6 29 17 7 5 6 2 9 14 9 4 8 12 13 6 8 6 6 21 8 7 5 8 12 2 8 9 15 26 57 25 5 3 4 10 5 7 9 9 7 79 41 9 11 17 0 3 7 8 2 3 8 6 2 3 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 1 1 2 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 1 3 5 7 5 6 5 4 5 4 7 6 20 20 25 20 50 26 11 9 3 5 5 3 1 5 6 2 2 3 4 3 2 3 7 7 6 12 23 7 39 100 34 29 20 16 6 7 11 6 3 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2; 1HNMR: 82 82 s 1H | 73 73 m 2H | 73 72 m 3H | 64 63 d 1H J 62 | 38 37 dp 1H J 48 62 | 29 29 d 2H J 53 | 28 27 tt 1H J 57 70 | 21 20 m 2H | 20 19 dddd 2H J 48 59 90 136 | 17 16 m 6H | 8 7 m 2H | 5 5 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCC[C@@H](C)O[C@@H](CC)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O | ir: 8 5 6 11 10 5 2 8 7 9 6 10 27 13 21 14 15 8 6 19 100 82 10 11 8 20 27 19 18 14 26 19 9 23 13 9 12 26 4 7 6 1 3 5 4 2 4 5 4 5 3 5 3 2 3 4 4 4 4 6 5 2 6 6 3 5 8 11 11 2 6 13 8 8 7 8 6 16 20 10 7 5 7 10 11 28 35 52 4 5 16 16 21 7 27 9 4 5 9 13 2 3 8 6 4 9 10 7 13 13 5 17 5 7 9 7 1 5 9 7 7 9 15 8 6 14 16 13 17 16 11 19 5 8 14 10 4 4 8 7 2 10 9 55 50 5 7 5 15 31 35 5 2 4 3 1 2 4 4 2 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 3 2 2 4 3 3 3 6 4 2 5 6 7 5 7 6 11 14 8 10 22 14 8 8 5 1 7 8 4 4 6 20 13 7 3 3 2 1 4 5 2 2 3 3 2 3 4 28 54 17 7 5 2 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 58 57 m 1H | 55 55 d 1H J 79 | 51 50 ddt 1H J 13 24 163 | 50 50 m 1H | 45 44 m 2H | 44 44 dddd 1H J 7 17 57 75 | 40 40 m 1H | 39 38 dd 1H J 28 117 | 37 36 m 2H | 31 31 d 1H J 55 | 23 22 dt 1H J 59 129 | 22 21 m 2H | 21 19 dtdt 1H J 14 70 86 115 | 17 16 m 2H | 15 14 m 2H | 14 14 s 9H | 12 12 d 3H J 53 | 10 9 td 3H J 16 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)ON3C(=O)CCC3=O)cc21 | ir: 24 2 1 3 1 2 3 2 0 2 2 3 9 3 3 5 3 1 0 0 1 1 1 1 1 1 2 2 3 1 2 2 2 1 1 1 2 1 1 2 3 2 1 1 1 1 1 0 1 2 7 3 2 3 19 7 1 2 1 7 1 5 1 1 1 1 5 26 20 8 2 1 2 1 0 0 1 1 1 0 1 2 1 1 1 1 1 2 5 2 1 1 2 2 2 1 2 4 1 2 1 1 2 1 1 6 10 8 4 3 2 19 3 3 2 7 6 1 3 6 6 9 3 1 3 2 3 1 0 7 6 3 16 2 4 2 0 1 1 1 1 2 2 7 3 4 8 100 8 18 3 3 16 28 5 2 1 0 1 1 1 3 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 1 2 1 1 1 2 3 1 6 1 2 2 1 2 4 11 2 6 40 10 3 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 84 s 1H | 81 80 d 1H J 17 | 77 77 d 1H J 17 | 72 71 m 1H | 70 69 m 2H | 41 41 d 2H J 46 | 28 28 s 3H | 22 21 dtt 1H J 46 70 141 | 10 10 d 6H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](c1cccc(Oc2ccc(F)cc2)n1)C(F)(F)F | ir: 6 12 3 2 4 20 1 4 3 16 0 7 4 3 2 3 8 2 1 4 2 2 2 2 2 2 1 3 6 4 2 4 4 14 7 4 4 3 3 14 3 3 4 22 3 64 16 11 12 9 3 5 3 0 15 45 28 14 7 3 3 4 3 19 5 11 4 2 14 4 4 12 7 2 2 4 12 7 3 5 2 3 3 2 3 2 5 3 4 5 4 16 10 3 2 2 2 4 4 5 12 6 8 14 1 3 3 5 22 5 3 2 3 2 2 3 3 4 6 6 3 10 3 3 5 3 1 2 2 3 4 3 2 2 4 4 5 9 50 20 7 4 4 5 14 8 6 23 3 5 3 6 12 12 12 100 12 7 3 0 1 6 2 0 1 3 2 0 1 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 2 2 1 3 9 3 1 3 12 20 10 25 61 14 6 3 7 3 3 2 2 2 3 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 m 1H | 76 76 dt 1H J 9 67 | 73 72 m 4H | 67 67 dd 1H J 13 75 | 63 62 m 1H | 59 58 dd 1H J 18 48 | 24 23 dd 1H J 49 86 | 21 21 dd 1H J 17 87 | 11 11 s 3H | 11 11 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCn1c(=O)c2c(c3c(OC)cc(/C=N/N4CCOCC4)cc31)NCCC2 | ir: 0 3 4 4 3 6 5 5 0 6 13 30 21 16 23 45 20 26 7 7 4 14 13 57 15 16 11 14 10 14 5 7 6 6 4 2 4 3 3 6 18 7 5 20 8 3 4 11 14 9 13 4 4 2 2 4 3 4 3 2 3 6 6 6 6 7 5 37 23 13 17 19 34 10 7 2 2 4 3 1 2 2 2 2 5 9 6 4 4 2 2 2 5 4 4 2 3 4 3 1 2 1 3 3 3 5 10 5 2 3 3 7 20 12 6 8 6 14 12 7 8 12 19 9 12 12 4 4 5 4 2 4 10 6 3 5 3 2 2 3 3 21 24 9 4 1 2 2 19 2 1 6 13 24 22 12 8 43 29 7 6 19 3 3 2 4 25 7 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 0 1 2 4 4 5 3 1 2 2 3 4 9 18 8 7 23 30 5 1 1 2 2 1 0 2 2 1 1 1 2 2 1 3 2 1 1 4 7 19 10 30 100 62 14 9 6 2 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 d 1H J 21 | 72 72 s 1H | 70 69 d 1H J 22 | 66 66 t 1H J 39 | 53 52 s 2H | 39 39 s 3H | 38 37 m 4H | 35 35 s 3H | 33 33 m 2H | 31 31 m 4H | 26 26 m 2H | 20 19 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)C12CCCN(C1)C2 | ir: 0 8 21 53 69 92 78 48 21 9 13 7 3 8 11 7 4 11 18 17 8 19 27 33 22 22 33 22 21 35 43 58 16 15 12 5 7 15 15 4 10 15 13 20 90 32 17 6 7 15 12 5 8 13 10 6 20 37 11 4 9 13 10 44 38 48 21 9 11 31 25 23 23 30 10 8 12 23 25 49 62 10 7 6 10 12 13 62 66 83 62 13 18 28 12 13 23 53 74 37 21 12 4 10 21 31 34 15 16 14 23 11 27 42 79 20 24 19 2 19 28 22 11 23 25 25 18 25 71 33 19 10 12 7 5 11 12 9 5 16 17 12 38 100 58 28 9 14 12 3 5 10 8 3 5 10 8 3 5 10 7 2 6 11 7 1 6 11 7 1 6 12 6 2 6 11 6 2 7 11 6 3 8 11 5 2 8 10 5 3 8 10 5 3 8 9 4 4 9 9 4 4 9 8 4 4 9 8 3 5 10 8 3 5 10 8 2 5 10 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 11 6 2 7 10 6 3 8 10 5 3 8 10 5 4 8 9 4 4 8 9 4 4 8 9 4 5 9 8 4 5 10 8 5 7 18 13 11 9 13 11 7 14 16 37 10 11 27 38 85 78 36 29 31 16 13 12 6 8 11 6 3 7 10 6 3 8 10 5 3 8 9 5 4 8 9 4 4 8 8 4 4 9 8 4 5 9 8 4 5 9 7 3 5 9 7 3 5 10 7 3 6 10 7 3 6 10 6 2 6 10 6 3 7 10 6 3 7 9 5 3 7 9 5 4 7 9 5 4 8 9 5 4 8 8 5 4 8 8 4 5 8 8 4 5 9 7 4 5 9 7 4 5 9 7 3 6 9 7 3 6 9 6 3 6 10; 1HNMR: 34 33 d 2H J 108 | 31 31 d 2H J 110 | 28 27 t 2H J 40 | 22 21 s 3H | 19 18 t 2H J 58 | 18 17 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=Cc1ccc(C2CCC2)cc1 | ir: 2 11 17 9 1 11 19 10 1 11 19 22 34 29 14 7 4 10 13 6 5 13 19 9 5 11 12 4 4 13 13 4 5 16 18 5 5 14 12 7 10 15 11 2 6 15 13 3 19 20 19 8 37 100 85 68 28 25 10 2 8 14 10 9 14 21 9 4 11 22 17 2 10 13 7 4 13 13 7 4 11 12 4 4 13 13 6 5 12 11 5 5 12 10 6 7 16 26 15 27 45 26 18 31 39 31 4 8 15 9 2 7 15 8 0 8 15 8 1 17 20 9 2 10 18 23 10 11 13 6 2 10 15 8 6 15 17 8 7 14 17 8 10 22 60 47 13 16 14 8 8 16 24 5 11 15 10 3 6 12 9 3 18 15 10 1 7 14 8 1 8 14 7 1 8 14 7 2 8 13 6 2 9 13 6 3 9 12 6 3 10 12 5 3 10 11 5 4 10 11 4 5 11 10 4 5 11 10 3 5 11 9 3 6 12 9 3 6 12 8 2 7 13 8 2 7 13 7 1 7 13 7 2 8 13 7 2 9 12 6 3 9 12 6 3 9 11 5 4 9 11 5 4 10 10 5 5 11 10 4 5 11 10 4 5 11 9 4 6 13 21 9 7 12 9 4 11 21 12 8 9 13 13 7 12 20 47 56 32 25 18 15 17 13 7 3 9 13 7 4 9 12 6 4 9 11 5 4 9 10 5 4 10 10 5 5 10 10 4 5 10 9 4 6 11 9 4 6 11 8 3 6 11 8 3 7 12 8 3 7 12 7 2 7 12 7 3 8 12 7 3 8 11 6 4 8 11 6 4 9 10 6 4 9 10 5 5 9 10 5 5 10 9 5 5 10 9 5 6 10 9 4 6 10 8 4 6 11 8 4 7 11 8 3 7 11 8 3 7 12; 1HNMR: 100 99 s 1H | 79 78 m 2H | 73 72 m 2H | 29 29 m 1H | 20 19 m 2H | 18 16 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1c2cc(Cl)ccc2OC=CN1CCCl | ir: 0 1 3 1 0 1 14 17 3 2 2 1 1 1 4 8 3 1 1 1 7 5 4 1 1 2 16 8 1 1 2 1 7 19 4 2 25 6 4 6 5 16 54 8 3 4 11 3 1 3 3 0 10 53 35 13 2 5 7 3 1 1 1 1 1 1 4 28 29 10 0 1 1 1 1 1 1 1 1 1 1 1 1 2 6 11 9 7 4 42 3 1 2 2 2 18 3 2 1 1 2 7 4 3 3 2 1 4 8 1 1 1 1 1 0 2 7 1 6 18 17 5 2 2 2 1 2 2 64 15 6 2 3 2 3 10 3 1 31 15 1 8 30 6 2 3 17 20 11 1 5 28 44 19 2 1 2 13 7 0 1 9 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 0 1 1 0 1 1 1 1 4 8 3 1 1 1 2 1 4 11 4 2 9 48 21 18 100 15 7 4 2 0 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 25 | 77 76 dd 1H J 25 85 | 72 72 d 1H J 85 | 65 64 dt 1H J 9 86 | 61 61 d 1H J 86 | 41 41 td 2H J 9 35 | 38 38 t 2H J 35 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
ON=C1CCCC1c1ccccc1 | ir: 4 4 5 6 17 10 37 100 61 8 2 4 8 8 3 5 3 5 5 5 5 4 4 5 4 4 4 5 6 4 9 10 7 4 4 4 4 2 4 12 31 28 17 5 5 7 5 3 3 4 4 3 3 3 4 6 4 3 4 2 3 3 3 2 4 5 4 4 14 5 7 3 6 7 3 0 64 55 10 5 2 2 4 5 4 3 4 9 5 8 4 8 12 17 17 10 1 7 7 4 4 4 8 11 3 4 5 5 3 4 3 3 3 7 9 6 3 3 4 3 3 4 4 4 3 3 3 3 3 3 4 3 3 4 5 11 5 3 4 2 2 6 7 15 9 10 9 7 4 3 4 4 8 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 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 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 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 6 4 4 10 12 13 15 19 11 9 3 3 4 6 2 94 78 4 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 2 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 96 96 s 1H | 74 73 m 3H | 72 72 m 2H | 36 36 m 1H | 26 25 m 1H | 24 23 m 1H | 22 21 m 1H | 20 18 m 2H | 19 17 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(CC(CBr)OC1CCCCO1)OCc1ccccc1 | ir: 3 1 7 4 0 5 6 9 4 16 13 35 10 6 7 6 2 2 3 14 3 4 4 5 26 14 3 3 8 39 13 9 27 14 5 30 6 10 28 35 86 36 19 10 6 2 3 9 7 23 7 4 6 8 5 27 8 34 7 3 2 12 4 5 7 18 14 25 19 20 11 15 13 22 13 6 12 12 66 24 18 5 2 3 2 2 1 1 12 19 4 6 2 6 11 8 8 15 19 26 15 18 28 14 12 11 10 9 27 41 24 22 11 6 18 8 2 11 12 36 46 26 11 12 22 9 17 9 15 10 39 20 14 13 18 91 18 11 1 4 3 10 37 56 32 26 26 17 6 1 2 35 21 9 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 3 4 5 4 11 18 26 18 12 9 5 6 10 8 20 55 43 41 100 49 16 4 1 4 4 6 4 5 3 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 5H | 51 51 s 2H | 48 48 t 1H J 37 | 45 44 m 1H | 39 38 m 1H | 38 37 dd 1H J 35 114 | 35 35 m 2H | 30 29 dd 1H J 66 174 | 27 27 dd 1H J 64 174 | 19 18 m 2H | 16 15 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSC1=N[C@H](C(=O)OC(C)(C)C)CC1 | ir: 4 31 16 11 11 5 0 4 10 6 7 5 5 13 34 15 9 4 1 3 3 2 2 4 6 3 3 2 2 2 2 2 12 34 13 3 4 6 5 4 7 19 16 9 5 5 4 2 3 3 2 4 3 17 9 3 4 11 9 10 4 3 8 4 3 3 3 3 3 6 2 3 15 16 4 2 1 1 2 2 1 1 1 2 1 11 10 1 3 2 2 1 3 4 4 3 4 4 2 2 1 1 3 3 11 8 3 31 100 13 10 23 29 6 16 33 6 16 23 21 8 12 16 5 5 6 14 5 48 36 27 31 10 2 4 3 0 11 21 3 3 4 3 5 28 4 3 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 1 3 3 2 2 5 9 5 5 3 5 9 6 3 8 18 16 12 19 97 8 3 2 3 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 44 43 ddd 1H J 17 41 60 | 26 25 m 2H | 25 24 s 3H | 24 23 dddd 1H J 41 60 75 117 | 22 21 ddt 1H J 60 79 118 | 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)c1nc(Br)c(C)nc1N | ir: 1 1 2 1 4 6 5 2 2 1 1 1 1 1 4 13 7 3 1 1 2 1 1 2 2 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 3 3 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 3 3 1 0 1 0 13 2 1 0 1 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 1 1 4 1 1 0 0 0 0 0 0 0 1 6 4 2 1 0 1 0 0 0 0 1 1 3 1 0 0 0 0 0 0 0 4 1 0 0 0 3 2 1 0 0 1 15 4 1 0 0 1 7 28 24 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 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 1 1 1 1 1 0 0 0 0 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 0 1 2 100 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 73 s 2H | 39 39 s 3H | 25 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c2c(c(=O)n1-c1ccccn1)[C@H]1CC[C@]2(C)C1(C)C | ir: 8 5 3 26 14 13 16 6 13 3 3 7 5 5 1 4 5 3 4 4 6 4 4 5 6 2 7 11 4 2 3 11 13 8 35 24 19 39 77 48 67 31 8 8 8 12 9 30 7 4 3 4 7 15 43 88 18 0 11 9 4 0 4 6 22 6 8 6 9 6 31 19 7 2 7 4 3 3 8 9 8 20 17 8 14 7 4 5 4 7 6 6 6 10 67 17 4 3 11 3 3 2 5 2 4 6 10 15 15 11 5 4 4 7 11 9 1 9 14 6 7 5 3 3 4 5 9 13 10 13 12 8 15 5 6 14 25 63 60 12 35 100 21 9 7 7 4 5 11 10 5 2 5 13 41 94 41 43 63 7 4 3 5 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 2 3 3 1 1 3 3 1 1 3 2 2 9 9 4 2 4 5 7 4 6 6 5 6 7 5 55 6 21 78 41 9 4 6 5 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 84 84 dd 1H J 17 45 | 78 77 dd 1H J 14 75 | 77 76 td 1H J 16 74 | 74 73 ddd 1H J 14 45 73 | 33 33 s 2H | 30 30 ddp 1H J 15 44 57 | 20 18 dddd 2H J 61 83 121 251 | 17 16 m 2H | 11 11 s 2H | 10 10 d 3H J 14 | 10 9 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
FC(F)c1nc2ccccc2n1-c1nc(Nc2ncccn2)nc(N2CCOCC2)n1 | ir: 2 1 1 2 3 1 1 1 2 2 1 2 3 1 4 2 4 3 4 2 6 2 2 6 4 7 6 3 10 5 8 8 5 5 10 5 7 31 11 16 5 9 10 19 5 3 5 8 4 2 5 10 8 30 13 5 2 1 2 4 4 3 14 5 4 1 2 2 5 2 5 6 11 35 4 6 9 4 4 4 3 1 3 3 2 1 2 3 1 1 2 2 5 11 2 2 1 2 3 2 0 1 2 2 0 1 3 2 3 3 3 1 3 1 2 2 1 1 2 1 3 2 6 4 1 1 2 1 1 1 2 1 1 1 2 1 2 3 8 3 4 4 4 2 5 6 19 14 9 29 68 100 11 18 44 20 6 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 0 1 2 1 2 2 1 3 3 5 12 14 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 4 1 66 28 6 3 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: 85 84 m 3H | 82 81 m 1H | 79 78 m 1H | 75 74 m 2H | 71 71 s 0H | 67 66 t 1H J 43 | 39 38 m 4H | 38 37 dd 4H J 50 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)[C@@H](N)C(=O)NCC(F)(F)F | ir: 1 0 1 1 1 2 2 1 3 1 1 2 1 1 1 3 2 0 1 1 0 2 1 1 1 1 1 1 1 1 1 1 2 4 8 9 4 4 16 23 5 3 6 5 6 7 5 3 3 1 1 1 3 1 1 2 2 2 3 8 4 2 2 8 7 12 5 1 1 1 2 7 13 36 12 9 3 3 5 6 7 3 2 4 3 1 0 1 1 4 2 1 3 2 1 1 1 1 1 1 2 4 3 1 1 4 3 2 1 2 3 3 1 2 3 2 1 3 3 3 1 9 4 4 2 8 7 3 2 5 7 2 15 34 70 31 4 3 1 2 2 1 1 2 5 9 11 6 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 1 1 1 2 2 2 5 8 3 1 0 0 1 0 0 1 1 1 0 1 1 1 3 7 15 11 5 3 2 2 1 8 46 100 17 18 6 4 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 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; 1HNMR: 73 73 tq 1H J 19 56 | 49 48 d 2H J 66 | 40 39 qdd 2H J 48 55 130 | 35 34 m 1H | 21 19 m 1H J 63 | 10 9 dd 3H J 15 63 | 9 9 dd 3H J 15 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1N | ir: 9 8 12 7 4 6 4 6 4 6 4 3 5 4 5 4 5 3 3 5 11 6 9 7 8 8 2 2 3 3 4 4 15 12 13 11 13 12 9 2 4 5 4 4 2 5 3 2 2 2 1 3 6 5 5 5 4 2 2 2 2 3 7 6 5 5 4 17 8 4 4 1 1 1 1 3 4 7 16 3 6 17 3 2 5 13 1 3 6 10 5 2 3 3 2 7 8 3 4 5 5 5 2 4 3 5 9 4 4 3 6 7 1 3 2 2 2 3 2 2 3 5 2 2 4 3 2 2 3 6 10 10 7 7 8 2 1 2 1 0 1 2 3 5 31 27 13 20 30 11 6 3 7 4 4 1 13 49 29 6 2 2 10 8 2 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 4 2 2 1 2 1 3 8 4 5 15 19 18 17 11 4 2 0 1 2 1 0 1 2 1 1 1 2 1 2 4 15 65 10 6 5 21 24 12 5 2 3 7 91 100 14 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 1 1 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 0 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 70 69 dt 1H J 9 84 | 69 68 m 1H | 66 66 dt 1H J 9 20 | 60 60 s 1H | 38 38 s 2H | 35 35 d 2H J 9 | 29 28 ddd 2H J 57 83 123 | 27 26 m 4H | 25 24 p 1H J 49 | 21 20 dddd 2H J 50 56 82 132 | 18 17 dddd 2H J 49 56 84 133 | 13 13 s 8H | 13 12 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCNC(=O)ON=C1SCOC1C | ir: 2 8 8 4 2 3 1 2 1 1 2 2 4 8 2 1 1 2 1 1 2 3 1 2 5 1 19 35 5 6 5 1 2 3 3 12 5 2 1 1 2 2 1 0 0 1 2 1 3 3 3 1 1 4 2 6 3 3 6 1 2 2 2 1 1 3 5 7 4 6 11 3 5 1 2 7 5 6 7 7 2 2 1 3 1 1 1 0 1 1 0 0 1 1 0 1 2 2 1 1 1 1 0 1 1 2 1 1 8 4 3 3 2 8 5 4 2 6 21 3 5 3 2 6 3 1 2 2 2 1 1 1 1 1 0 1 1 1 0 2 40 15 4 25 100 40 2 2 2 31 9 1 1 0 1 1 1 0 1 1 1 3 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 3 3 2 1 2 2 6 2 1 12 8 4 0 1 1 0 0 1 1 1 2 4 2 1 1 1 1 0 0 1 1 2 2 2 2 6 11 99 51 2 3 2 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 74 73 t 1H J 36 | 48 48 d 1H J 95 | 48 47 q 1H J 40 | 47 47 d 1H J 95 | 47 46 d 2H J 35 | 33 33 s 2H | 14 13 d 3H J 38 | 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]1CCCC[C@H]1N | ir: 5 2 3 1 2 2 0 1 2 1 3 2 2 1 0 1 3 4 1 1 1 1 1 3 2 2 2 4 6 6 37 5 3 3 2 2 1 3 3 0 1 0 3 1 1 1 1 2 1 1 1 1 3 2 4 6 4 2 1 6 10 6 6 9 5 4 2 5 7 2 3 14 15 2 3 3 12 11 6 5 2 4 1 7 8 2 1 1 1 0 1 1 1 1 1 1 1 1 3 2 1 1 1 3 1 1 1 1 1 2 2 2 2 2 2 3 4 6 6 9 6 5 3 8 8 7 3 6 4 11 20 7 6 11 17 29 9 3 2 2 2 2 1 14 13 10 3 2 4 22 6 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 2 1 2 1 2 2 5 3 14 3 1 1 1 1 1 1 1 1 1 1 1 3 6 10 2 2 11 15 12 10 5 2 5 40 100 4 11 17 6 2 1 1 1 1 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 44 43 d 1H J 77 | 35 34 m 1H | 31 31 m 1H | 27 26 d 2H J 63 | 18 15 m 4H | 15 15 m 1H | 15 15 m 1H | 15 14 m 1H | 15 14 m 1H | 14 14 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](NC(=O)CCl)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O | ir: 1 4 5 5 5 6 6 4 3 4 5 5 6 5 5 3 9 9 9 3 1 4 5 4 4 4 10 4 6 11 14 11 12 15 12 11 17 15 14 11 18 11 17 32 30 27 22 5 8 3 3 4 4 8 2 1 2 2 2 1 2 2 1 1 1 2 1 3 3 16 15 0 4 3 2 6 5 7 9 4 4 3 1 1 3 2 2 1 2 2 0 1 2 2 2 1 3 4 1 1 2 1 0 2 8 4 4 4 2 4 5 5 5 4 8 8 3 4 3 8 15 5 1 4 6 9 8 13 6 3 0 4 5 4 4 5 13 3 1 8 16 30 33 100 57 57 17 11 13 60 8 1 1 5 2 1 2 2 1 1 3 5 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 2 2 2 2 2 2 3 5 5 2 7 4 9 71 18 4 7 4 2 2 2 2 1 1 2 1 1 1 1 2 2 5 2 5 4 11 19 45 45 17 10 3 3 2 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 80 79 d 1H J 95 | 79 78 d 1H J 77 | 75 73 m 9H | 73 73 m 1H | 55 54 d 1H J 95 | 45 44 dq 1H J 59 77 | 41 40 m 2H | 35 35 s 2H | 14 13 d 3H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)Oc1cc(-c2cccc(-c3ccc4c(c3)OCO4)c2)nn1-c1ccccn1 | ir: 12 14 5 12 6 2 4 4 5 7 8 2 2 6 5 1 1 1 2 1 2 4 4 3 7 3 3 5 6 4 3 12 14 3 4 8 2 4 5 3 6 6 15 21 5 5 4 2 14 2 4 2 4 16 19 8 4 4 2 2 7 2 3 4 6 52 21 11 19 5 10 11 13 16 25 2 3 4 4 4 4 5 6 3 2 2 1 1 2 3 2 1 2 1 1 1 2 3 0 1 2 2 0 1 5 3 1 1 1 1 1 1 4 11 13 7 9 6 10 12 13 11 3 4 3 2 1 11 9 21 17 11 7 2 7 4 7 12 5 4 23 16 5 6 6 5 14 49 18 6 8 6 5 6 8 10 9 20 20 10 4 2 2 2 1 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 1 1 1 2 1 1 1 0 1 2 2 2 3 3 3 7 30 2 16 100 59 31 17 4 4 3 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 dd 1H J 15 34 | 82 82 t 1H J 21 | 81 81 m 2H | 77 76 m 2H | 76 75 m 2H | 71 71 dd 1H J 17 85 | 70 69 d 1H J 85 | 69 68 d 1H J 19 | 68 68 s 1H | 61 60 s 2H | 15 15 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSCC=CN1CCCC1 | ir: 0 9 15 7 1 9 16 8 2 10 14 6 1 9 13 6 2 10 13 6 2 10 12 4 6 22 27 8 4 12 15 6 8 17 15 5 7 17 14 4 6 13 11 5 15 22 10 5 7 15 9 3 6 13 58 60 9 21 10 2 15 22 12 2 16 14 10 3 10 15 7 2 9 17 9 11 52 85 47 100 15 10 7 11 22 44 45 38 35 25 9 14 27 16 12 21 25 44 30 17 26 19 11 15 17 27 12 68 43 43 17 16 22 24 13 19 20 18 3 12 33 45 38 15 19 38 84 91 20 9 3 17 44 31 24 14 13 6 4 11 11 4 4 10 10 4 4 10 9 3 5 11 9 3 5 12 9 2 6 12 8 2 6 14 12 11 8 14 8 2 7 13 7 1 7 12 7 2 8 12 6 2 8 11 6 3 8 11 5 3 9 10 5 4 9 10 4 4 10 10 4 4 10 9 3 5 10 9 3 5 11 9 3 5 11 8 3 6 11 8 2 6 12 7 2 7 12 7 2 7 12 7 2 7 12 6 2 8 11 6 3 8 11 6 3 9 11 5 3 9 10 5 4 9 10 5 4 10 9 4 5 10 10 4 5 11 9 4 7 12 9 6 8 15 13 4 12 21 14 9 13 22 39 82 36 58 35 38 34 13 9 5 9 12 7 4 8 11 7 4 9 10 6 4 8 10 5 4 9 10 5 5 9 9 5 5 9 9 4 5 10 9 4 5 10 8 4 6 10 8 3 6 11 8 3 6 11 7 3 7 11 7 3 7 11 7 3 7 11 6 3 8 10 6 4 8 10 6 4 8 10 6 4 8 9 5 4 9 9 5 5 9 9 5 5 9 9 4 5 10 8 4 6 10 8 4 6 10 8 4 6 10 7 3 7 11 7 3 7 11; 1HNMR: 62 62 dp 1H J 11 143 | 52 51 dt 1H J 49 143 | 34 33 dqd 4H J 9 21 31 | 31 30 dd 2H J 13 49 | 20 20 s 2H | 20 18 ttq 4H J 20 42 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1 | ir: 2 3 3 2 3 2 2 2 2 1 1 2 2 1 1 2 4 2 2 3 3 1 1 1 2 3 6 3 3 1 1 1 2 0 1 1 1 1 1 2 3 1 1 1 1 2 1 2 1 1 2 1 1 0 1 1 1 2 1 2 1 1 2 2 1 4 4 3 3 3 3 2 1 2 1 1 1 1 1 1 1 5 6 4 2 2 5 3 28 7 5 2 1 0 1 1 1 2 3 1 0 2 2 1 0 1 7 2 1 1 4 1 0 1 2 2 1 4 3 4 2 4 4 1 3 5 2 3 2 2 6 4 8 6 3 1 2 2 1 1 1 1 2 3 9 4 2 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 4 2 2 2 2 3 1 1 1 1 2 2 1 1 2 1 3 4 5 6 7 2 2 1 1 2 1 1 2 2 22 100 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 2 1 5 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 1 1 1 0 1 1 1 0; 1HNMR: 48 48 s 1H | 37 36 s 3H | 29 29 d 1H J 179 | 28 27 ddd 1H J 51 78 156 | 27 25 m 2H | 22 21 m 11H | 19 18 ddd 1H J 51 78 137 | 15 14 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)S(=O)(=O)n1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1 | ir: 7 8 5 6 8 34 13 13 5 8 6 4 3 5 5 5 3 4 4 2 2 2 3 4 2 2 3 2 5 5 8 3 5 21 9 18 20 11 5 8 12 20 6 16 14 7 7 34 34 9 10 4 3 8 7 4 3 2 3 3 3 5 7 5 6 11 10 26 24 8 8 4 4 4 2 3 6 5 3 8 5 9 5 3 8 13 10 48 13 11 9 4 6 7 10 6 4 10 6 4 4 2 4 5 10 5 8 11 9 8 7 13 35 8 3 4 3 3 21 6 6 4 4 3 3 4 4 4 10 2 2 4 6 3 6 6 8 4 4 4 7 14 45 12 19 6 8 8 6 10 10 39 4 4 3 0 100 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 2 2 3 7 7 7 10 6 13 8 4 12 10 7 8 4 3 2 2 2 2 2 2 2 3 2 3 2 2 3 9 20 7 4 5 2 3 4 9 8 19 29 10 8 5 6 5 3 3 3 3 2 3 3 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 69 s 2H | 41 41 d 2H J 59 | 40 39 d 2H J 49 | 36 35 p 1H J 82 | 14 14 d 6H J 81 | 14 13 pt 1H J 51 64 | 12 11 hept 1H J 60 | 6 5 m 4H | 4 3 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(CCOCCc1ccc2sccc2c1)N1CC(O)C1 | ir: 1 1 0 1 6 4 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 3 3 6 1 3 1 1 1 1 1 0 1 0 0 1 1 1 0 2 1 2 1 1 1 1 3 2 1 1 1 1 0 1 1 2 2 2 2 2 2 3 2 2 1 2 2 2 1 2 1 1 0 0 1 1 1 1 2 3 7 4 7 12 5 12 4 4 2 1 2 2 4 1 4 2 0 0 0 2 2 0 1 2 1 0 2 1 1 0 1 1 1 1 2 2 1 2 1 0 0 1 1 1 4 2 3 2 1 1 2 4 1 0 0 1 1 0 13 5 8 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 1 1 1 1 1 1 2 2 2 1 1 1 3 2 3 2 7 6 8 6 8 9 9 18 13 66 100 61 14 11 7 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 74 d 1H J 53 | 73 73 dd 1H J 21 54 | 72 71 ddt 1H J 9 21 77 | 42 41 dp 1H J 36 46 | 39 38 dd 2H J 37 106 | 38 37 t 2H J 67 | 37 36 m 4H | 36 35 d 1H J 46 | 29 28 tt 2H J 9 59 | 26 25 t 2H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(C)cc4)c(C)c3)cc2C)cc1 | ir: 3 5 11 15 14 45 29 7 15 32 10 6 6 6 16 11 6 11 14 13 22 10 6 4 8 5 5 3 3 4 4 6 5 4 17 9 6 4 3 4 3 3 4 3 4 5 4 3 4 5 4 2 6 41 62 58 12 0 6 10 4 2 4 6 6 3 6 6 6 17 4 9 6 4 4 4 3 4 4 5 3 3 4 4 3 4 17 4 6 4 3 3 3 4 4 4 4 22 7 10 16 3 4 4 9 92 22 6 3 3 4 3 3 5 4 4 4 5 7 6 6 4 5 4 4 6 6 5 4 3 4 3 3 4 5 11 6 5 4 3 3 3 3 3 10 78 12 11 36 22 16 20 36 23 100 25 6 6 4 3 9 4 4 10 8 5 4 3 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 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 4 3 3 2 4 4 4 3 4 5 4 5 4 6 9 6 41 91 48 29 8 2 5 5 4 4 5 4 3 3 3 4 5 4 5 4 6 4 5 7 23 63 61 38 18 16 5 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 2 2 2 2 3 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2; 1HNMR: 74 74 dd 2H J 22 84 | 74 73 m 2H | 71 71 dq 4H J 8 77 | 70 70 d 2H J 82 | 70 69 m 4H | 49 49 s 2H | 24 23 d 6H J 9 | 23 23 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1CC(C(F)(F)F)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 | ir: 4 6 8 15 2 4 3 2 3 4 2 4 9 41 9 2 0 12 6 2 3 17 7 11 12 5 5 2 1 2 2 2 5 0 22 0 1 6 19 2 4 5 15 29 8 7 23 4 1 1 2 2 3 5 10 16 16 4 3 12 26 3 3 3 9 10 2 3 4 39 14 3 2 2 2 2 3 2 2 13 4 20 3 72 15 4 23 26 6 3 3 5 49 12 5 4 8 45 7 5 5 3 17 8 4 2 1 9 7 3 1 5 8 2 1 2 2 3 3 6 5 23 50 12 6 4 7 3 2 2 1 2 6 2 2 2 6 12 41 13 3 1 2 2 4 24 3 24 29 5 3 4 60 3 3 57 33 1 2 4 8 5 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 2 2 1 2 3 3 8 4 2 4 6 4 4 6 14 29 67 100 66 34 8 5 3 2 2 2 3 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 m 1H | 77 76 m 2H | 76 75 m 2H | 75 75 td 1H J 17 79 | 74 73 m 2H | 49 48 tq 1H J 80 104 | 37 36 ddq 1H J 24 104 137 | 34 33 ddq 1H J 22 103 137 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(O)(C=Cc1ccc2[nH]cc(C[C@H]3CCCN3C(=O)OCc3ccccc3)c2c1)CC | ir: 11 7 1 14 13 13 5 5 4 9 18 24 11 5 5 3 2 3 2 4 7 11 21 6 15 20 8 11 6 2 6 30 5 4 6 2 3 2 3 8 80 1 3 3 7 5 3 3 4 2 3 2 14 50 7 0 2 3 6 2 4 3 3 10 5 5 4 5 16 13 6 3 12 4 9 33 61 16 33 24 43 12 9 4 7 5 3 5 10 17 4 4 6 4 2 3 4 9 3 4 2 3 9 33 10 10 10 10 47 30 10 9 6 9 15 4 5 7 8 9 6 4 13 9 12 11 6 6 4 4 3 4 36 15 5 23 6 6 5 2 4 6 13 68 6 2 2 3 4 3 41 18 11 20 17 2 2 1 1 2 2 1 2 2 2 1 3 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 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 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 3 3 4 6 5 8 5 4 6 7 11 8 9 47 17 10 100 28 15 16 31 15 12 18 78 37 4 6 4 2 1 3 3 2 2 4 2 3 2 5 7 8 16 45 4 4 3 2 3 3 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 70 | 77 77 d 1H J 21 | 74 73 m 7H | 72 71 dq 1H J 7 67 | 65 64 m 2H | 51 51 s 2H | 42 41 dddd 1H J 20 40 70 111 | 36 35 dddd 1H J 18 33 50 120 | 35 34 ddd 1H J 33 51 121 | 30 29 ddd 1H J 7 73 134 | 27 27 ddd 1H J 8 68 134 | 25 25 s 1H | 20 17 m 7H | 16 15 m 2H | 9 8 t 6H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
ClCc1cc(-c2ccc(OCc3ccccn3)cc2)no1 | ir: 4 2 2 18 6 4 7 3 2 2 2 3 7 3 5 12 25 25 11 9 3 6 3 6 7 6 13 11 2 3 3 2 2 6 4 4 4 4 35 7 7 7 4 3 3 2 2 3 2 2 2 2 7 17 20 43 24 10 8 9 3 4 3 8 11 8 8 3 7 22 17 9 12 3 6 6 2 3 5 8 5 4 5 3 1 1 3 6 18 9 2 1 3 11 3 4 2 2 1 2 2 1 1 1 2 2 4 3 2 2 4 3 2 2 2 2 2 4 2 3 3 6 3 3 6 3 9 7 2 2 1 2 2 2 6 27 22 18 19 17 9 5 3 1 2 5 3 9 34 61 17 8 4 7 7 13 26 30 4 2 2 1 2 10 36 4 2 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 2 2 3 3 3 9 9 12 36 100 62 44 41 16 4 2 4 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 dd 1H J 17 42 | 79 78 td 1H J 16 74 | 76 76 m 3H | 74 73 ddd 1H J 15 42 73 | 71 70 m 2H | 68 67 t 1H J 9 | 52 52 d 2H J 10 | 48 48 d 2H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCC(c2c[nH]c3ccc(CCC4(O)CCCC4)cc23)CC1 | ir: 2 4 5 3 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 3 7 5 13 3 11 3 2 9 1 1 1 0 1 1 1 3 3 2 2 3 1 1 2 2 1 1 1 1 1 0 1 1 3 26 8 1 1 1 1 0 1 1 1 2 1 3 3 9 2 5 2 5 4 17 13 20 17 10 7 8 37 4 1 3 2 3 2 1 5 3 5 4 15 6 8 6 3 5 9 4 14 9 24 5 5 2 6 7 43 4 4 3 5 8 3 2 3 4 2 3 4 6 4 6 6 5 1 7 1 1 0 1 2 1 5 10 1 2 1 1 3 3 2 3 2 1 0 1 1 0 1 1 2 12 10 3 1 1 1 0 1 1 1 2 1 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 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 2 1 1 2 2 2 3 4 3 9 2 4 2 2 4 9 13 11 10 23 9 6 22 10 3 12 25 100 18 18 2 1 2 3 1 0 2 3 2 2 2 2 1 1 2 12 3 2 3 2 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 d 1H J 71 | 74 73 m 1H | 73 72 m 2H | 70 69 ddt 1H J 8 21 71 | 30 29 qd 1H J 7 55 | 30 29 m 2H | 29 29 s 1H | 27 26 tt 2H J 9 80 | 26 26 ddd 2H J 58 86 119 | 24 23 s 2H | 22 21 ddt 2H J 56 84 123 | 20 18 m 8H | 18 17 m 2H | 16 15 m 2H | 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)Cc1ccc(C(N)=NO)cc1 | ir: 3 2 3 2 1 6 7 6 4 3 4 4 5 2 11 6 3 3 2 4 2 6 11 4 3 5 1 3 5 5 2 3 2 2 2 3 3 3 3 3 1 2 2 2 1 1 2 2 2 1 2 2 1 1 2 5 14 6 2 1 1 2 3 12 1 2 4 2 1 1 1 1 1 1 2 1 1 1 1 1 4 2 4 3 1 2 4 6 3 5 1 1 2 1 1 2 2 2 7 5 5 8 1 1 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 4 3 3 1 1 1 2 1 4 4 3 2 1 4 3 1 1 2 2 2 4 20 3 2 4 7 24 9 2 9 2 6 8 17 4 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 6 3 6 10 3 1 2 1 1 2 10 13 61 10 4 1 2 2 1 1 5 8 8 3 3 2 0 1 1 1 0 0 7 14 100 5 0 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 3H | 73 72 dq 3H J 9 81 | 52 51 s 2H | 37 37 d 2H J 9 | 35 35 s 2H | 24 24 s 3H | 14 14 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCN(c2cc3nc(C(C)(C)C)sc3cc2N=C=O)CC1 | ir: 19 8 7 9 9 5 11 10 5 9 8 7 10 6 22 7 31 4 4 6 3 2 4 3 3 2 4 5 6 5 16 29 12 15 13 4 8 8 6 5 8 4 11 26 16 14 14 1 4 9 4 5 7 7 13 4 14 5 3 3 6 8 9 11 5 4 5 21 7 11 5 5 6 5 12 9 36 7 18 37 100 6 10 10 16 30 9 4 3 2 9 2 3 3 8 5 5 17 90 20 2 17 12 13 5 2 0 1 2 2 1 2 7 11 5 5 4 2 3 8 20 13 12 14 19 4 3 12 6 12 16 5 2 1 0 1 1 8 0 1 2 7 5 1 1 1 0 1 1 7 2 7 13 2 1 1 1 0 1 1 1 1 1 4 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 2 1 42 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 2 2 2 3 2 2 1 1 2 10 11 12 49 12 6 71 29 3 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 s 1H | 71 71 s 1H | 34 33 dd 2H J 8 39 | 34 33 m 3H | 33 33 m 2H | 30 30 s 3H | 30 29 ddd 2H J 41 54 112 | 16 15 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)OC(=S)Nc2ccc(-c3cccc(C#N)c3)cc21 | ir: 2 3 0 1 2 1 3 5 3 7 1 1 4 1 0 1 2 2 9 2 1 1 1 1 1 2 5 5 9 20 33 11 2 5 11 11 3 13 7 2 1 1 1 2 1 0 2 3 9 3 2 3 6 10 42 8 2 1 2 1 1 1 2 3 2 1 10 9 7 4 2 2 1 3 2 2 2 2 2 4 1 1 2 1 1 0 1 1 2 9 3 2 1 1 5 2 1 2 3 15 2 5 17 2 0 1 2 11 6 2 2 1 0 2 5 12 17 10 6 2 3 4 5 7 1 1 2 3 5 6 4 3 0 1 2 1 0 2 3 21 11 8 7 6 8 50 4 1 1 3 3 16 11 8 16 18 3 1 5 5 1 1 1 2 5 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 4 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 3 1 10 8 11 100 22 11 8 4 2 0 1 2 1 1 1 2 1 0 1 2 2 1 3 2 2 4 5 51 66 8 3 3 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 80 80 t 1H J 22 | 78 77 ddd 1H J 13 22 68 | 77 77 d 1H J 22 | 77 76 m 2H | 76 75 t 1H J 66 | 73 72 d 1H J 76 | 18 18 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CC1CNCCN1C(=O)OCc1ccccc1 | ir: 21 12 4 14 31 43 16 36 62 38 31 44 26 15 9 13 19 7 4 15 19 6 5 17 16 8 8 18 20 14 10 27 22 11 16 25 19 5 11 31 37 28 12 21 14 5 12 21 17 9 16 49 38 12 21 63 99 16 29 36 35 25 33 46 23 19 20 19 11 5 20 19 9 2 13 17 7 4 14 22 8 4 14 15 4 3 14 14 9 42 29 24 6 9 22 15 9 21 23 16 3 9 19 13 7 11 23 23 10 39 95 98 55 56 56 34 26 19 18 19 13 14 29 11 8 19 34 16 33 14 19 14 12 20 29 17 26 20 16 5 4 20 29 27 16 25 15 5 10 20 35 11 28 18 12 3 7 15 11 2 7 16 10 1 8 16 10 1 8 17 9 0 9 17 8 0 9 17 21 1 11 16 8 3 11 15 7 3 11 14 6 3 12 14 6 4 12 13 5 5 13 13 4 5 13 12 4 6 14 12 3 6 14 11 3 7 15 10 2 7 15 10 2 8 16 9 1 9 16 9 1 9 16 8 2 10 15 7 2 10 15 7 3 11 14 6 4 11 14 6 4 12 13 5 5 12 13 5 5 13 12 5 6 14 12 4 7 14 11 4 8 15 12 4 13 17 15 6 14 18 12 6 12 33 26 38 47 52 35 17 26 16 11 5 12 14 8 5 11 13 8 6 11 19 14 100 31 42 47 12 14 14 5 5 13 13 5 5 13 12 4 6 13 11 4 7 14 10 4 7 14 10 3 8 14 9 3 8 15 9 2 9 15 9 2 9 15 8 3 9 14 8 3 10 14 7 4 10 13 7 4 11 13 6 5 11 12 6 5 12 12 6 6 12 11 5 6 12 11 5 7 13 10 4 7 13 10 4 7 13 10 4 8 14 9 3 8 14 9 3; 1HNMR: 74 73 d 4H J 43 | 73 73 m 1H | 51 51 s 2H | 46 45 t 1H J 33 | 37 36 ddd 1H J 23 46 121 | 36 35 ddd 1H J 22 45 121 | 34 33 dt 1H J 32 115 | 31 31 dt 1H J 32 115 | 31 29 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(-c2cncc3ccc(C(=O)NCCCn4ccnc4)nc23)c1 | ir: 4 5 8 5 4 7 3 1 2 2 6 3 2 3 1 1 3 2 2 2 1 7 3 2 1 4 6 7 10 29 7 4 2 9 6 3 4 3 4 7 5 5 4 7 18 6 12 23 8 2 3 3 8 2 1 2 1 1 2 4 6 5 12 9 6 4 5 14 26 13 2 3 5 5 3 4 16 2 5 5 3 6 12 17 8 5 6 1 2 4 2 9 12 8 11 9 4 10 15 4 14 5 8 22 4 2 6 6 3 6 29 8 9 9 4 6 17 3 4 18 13 7 10 13 6 7 14 15 3 3 5 3 6 8 1 2 1 2 7 5 10 41 1 5 4 1 2 3 11 2 1 3 6 2 9 3 6 14 20 4 2 1 9 4 1 1 1 1 0 1 1 1 0 0 0 1 1 0 1 1 1 0 0 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 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 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 1 1 1 1 1 1 2 2 4 3 5 2 4 3 5 5 9 4 15 26 26 20 25 100 88 45 18 5 5 2 1 1 1 2 1 1 2 1 1 2 3 2 2 3 2 5 9 15 7 8 4 2 1 1 1 1 1 1 1 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 0 0 0 0 0 1 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 1 0 0 0 1; 1HNMR: 91 90 d 1H J 16 | 90 90 t 1H J 19 | 86 85 dd 1H J 20 86 | 82 82 m 2H | 77 77 dp 1H J 8 17 | 74 73 t 1H J 77 | 73 73 m 2H | 73 72 ddt 1H J 9 17 37 | 70 69 m 2H | 41 40 tt 2H J 9 65 | 39 38 s 2H | 33 33 q 2H J 52 | 20 19 tt 2H J 52 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Brc1ccccc1CCOC1CCCCO1 | ir: 2 1 1 1 5 8 5 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 0 1 1 2 6 1 1 1 0 1 1 1 1 1 1 2 4 32 100 3 2 0 1 1 3 1 1 1 1 1 2 1 1 1 1 4 1 1 1 1 1 3 2 6 4 5 2 4 5 4 9 15 3 3 2 8 19 2 1 1 3 17 1 1 2 4 4 2 2 1 1 1 1 1 1 2 1 1 1 1 0 1 2 1 8 4 3 5 2 2 5 4 2 1 5 3 3 2 3 5 1 3 1 5 2 2 1 2 1 1 1 2 6 4 1 5 5 1 1 1 1 2 1 2 6 2 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 4 2 9 3 0 1 4 6 11 17 6 8 15 38 13 1 2 2 0 1 1 0 0 2 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dd 1H J 13 81 | 73 72 m 2H | 71 71 ddd 1H J 20 72 79 | 47 47 t 1H J 34 | 40 39 dt 1H J 60 113 | 38 37 m 2H | 36 35 m 1H | 30 29 m 2H | 18 16 m 2H | 16 15 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC(CNc1ncc(-c2ccc3[nH]c(=O)oc3c2)s1)Cc1ccc(O)c(F)c1 | ir: 22 14 17 11 8 6 5 3 4 4 8 33 22 14 8 3 5 7 4 2 1 2 2 2 3 2 1 2 1 1 2 2 2 2 2 1 2 4 2 1 3 2 5 2 2 1 1 1 1 2 2 0 3 4 19 14 4 5 6 2 4 8 5 1 4 7 10 14 53 12 17 6 3 1 2 3 3 5 8 19 21 14 12 6 2 2 3 9 5 4 3 39 18 4 2 4 3 2 2 1 1 10 11 2 1 1 1 1 0 3 1 1 4 6 5 3 2 7 1 1 4 5 8 4 4 7 5 8 4 6 6 35 36 13 4 2 2 2 4 2 7 19 20 27 2 1 1 1 1 6 3 1 2 4 2 2 8 18 5 1 1 3 4 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 1 1 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 4 3 11 9 6 17 1 3 3 1 0 6 28 100 17 4 10 11 10 13 10 5 1 5 10 6 67 22 25 38 13 3 1 4 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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: 94 94 s 1H | 78 78 d 1H J 80 | 76 76 d 1H J 18 | 74 73 dd 1H J 16 79 | 72 72 s 1H | 69 68 m 2H | 68 67 dd 1H J 46 95 | 60 60 d 1H J 35 | 59 58 t 1H J 51 | 40 39 ddd 1H J 42 51 152 | 37 37 ddd 1H J 42 51 150 | 35 34 pt 1H J 42 58 | 31 30 ddt 1H J 9 57 148 | 29 28 ddt 1H J 8 57 149 | 22 22 d 2H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCCN(C(=O)c2cccc(-c3ccc(C=C4SC(=O)NC4=O)o3)c2)CC1 | ir: 2 3 2 2 1 2 2 1 4 2 2 1 2 3 2 2 2 2 2 2 2 1 1 1 2 1 1 2 1 1 2 2 1 3 3 4 5 33 8 4 8 4 2 3 8 5 2 4 11 51 40 8 6 3 2 0 1 2 1 0 1 2 1 2 3 1 1 1 2 2 1 1 1 2 2 2 2 4 2 13 6 2 2 2 2 2 1 2 3 4 4 1 2 1 1 1 1 1 1 3 3 2 2 2 22 3 0 1 2 1 2 2 4 7 3 2 2 2 2 10 5 4 5 2 9 2 4 4 6 4 2 3 5 4 5 3 6 3 1 3 3 4 1 2 4 10 1 14 4 3 1 2 2 1 2 4 2 1 3 16 100 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 5 10 7 16 8 4 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 20 17 2 1 1 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 82 82 t 1H J 21 | 78 78 ddd 1H J 12 22 93 | 77 77 ddd 1H J 12 21 82 | 76 76 dd 1H J 81 92 | 75 75 d 1H J 55 | 74 74 s 1H | 72 71 d 1H J 55 | 37 37 t 2H J 65 | 36 36 t 2H J 66 | 28 28 t 2H J 65 | 26 25 t 2H J 68 | 23 23 s 2H | 20 19 p 2H J 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Oc1ccc2[nH]cc(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c2c1 | ir: 9 14 6 5 6 5 9 3 4 4 5 7 4 4 5 7 8 13 9 3 7 14 21 10 23 54 34 9 24 11 3 3 2 3 4 14 5 7 1 3 5 16 78 24 5 3 2 2 2 2 2 3 5 15 15 9 4 2 3 1 3 1 2 3 13 16 18 28 23 7 4 2 2 1 2 5 3 3 7 12 19 100 66 19 17 12 13 7 12 7 2 2 5 5 19 5 22 7 3 6 10 9 9 9 12 25 4 6 73 14 16 4 4 3 5 3 3 11 8 10 4 4 5 8 8 7 8 5 4 6 2 2 3 6 2 4 4 26 5 2 5 14 15 23 6 2 1 1 1 2 3 34 13 53 45 12 3 0 0 2 3 10 3 6 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 3 3 3 2 3 2 3 4 5 7 6 18 5 20 62 49 11 17 15 18 13 12 78 11 6 1 1 1 2 1 2 2 2 2 2 3 4 2 3 31 61 53 15 6 2 3 2 1 1 1 1 1 2 2 3 4 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 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 d 1H J 70 | 92 92 d 1H J 71 | 85 84 s 1H | 76 76 m 1H | 74 73 m 2H | 73 72 d 1H J 79 | 72 72 td 1H J 11 75 | 72 71 m 2H | 71 70 dt 1H J 10 69 | 68 68 dd 1H J 21 78 | 30 29 m 3H | 28 27 td 2H J 8 77 | 25 25 t 2H J 60 | 25 24 ddd 2H J 55 82 115 | 22 21 ddt 2H J 55 82 125 | 20 19 ddt 2H J 54 81 125 | 19 18 m 2H | 16 15 tt 2H J 60 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ccc(Nc2c(NCc3ccco3)cc(C(=O)O)cc2S(N)(=O)=O)cc1 | ir: 19 23 9 22 17 21 12 10 15 5 10 6 9 9 9 17 16 13 13 4 11 23 34 22 12 22 19 4 8 16 26 16 14 10 9 9 7 12 8 6 5 5 3 4 2 3 5 4 4 2 5 7 5 4 3 12 40 11 5 1 2 3 5 7 7 26 42 18 11 19 4 3 2 7 8 2 10 27 58 17 36 31 29 43 47 23 21 39 29 8 6 7 4 9 5 2 2 4 8 3 5 12 18 4 4 3 9 28 8 5 2 5 13 12 3 8 15 43 46 24 17 7 2 5 14 35 15 12 16 4 7 3 3 2 4 9 9 14 18 11 6 6 3 6 13 25 19 7 8 15 9 17 13 32 20 17 39 100 22 12 8 4 3 1 2 3 1 0 1 1 1 0 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 3 3 2 2 2 2 2 3 4 3 4 4 8 24 19 16 14 14 4 2 3 2 27 57 7 1 3 4 3 2 10 25 45 23 15 10 47 75 43 50 36 16 11 59 23 7 2 2 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 d 1H J 22 | 80 80 s 1H | 77 77 s 2H | 76 76 t 1H J 16 | 75 75 d 1H J 22 | 72 71 m 3H | 68 67 m 2H | 64 64 dd 1H J 16 50 | 63 63 ddt 1H J 9 17 50 | 48 47 dd 2H J 9 44 | 40 40 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(CCC(C(C)C)C(F)(F)F)S(=O)(=O)CCC(F)(F)F | ir: 29 100 39 25 8 6 3 6 9 5 23 20 15 4 4 8 7 3 1 5 5 2 3 6 8 4 2 4 5 7 6 6 8 2 2 5 8 14 24 10 8 2 3 14 37 16 5 7 5 2 6 6 5 3 4 6 3 1 4 6 5 3 6 27 25 14 7 10 15 16 13 13 5 5 10 7 4 6 7 6 3 3 5 5 4 47 79 10 11 21 55 30 9 6 8 7 5 10 79 64 30 33 58 37 20 78 72 63 15 34 14 19 3 15 35 18 7 28 34 94 57 25 15 14 22 8 18 7 6 13 10 15 10 9 8 4 3 8 12 4 9 6 10 72 29 10 6 3 2 5 5 1 2 6 4 1 2 6 4 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 3 4 6 2 2 5 5 2 2 5 5 3 3 7 5 3 6 7 5 4 26 22 19 7 14 27 28 9 19 40 55 35 19 10 5 3 4 6 4 2 4 5 3 2 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 45 44 t 1H J 85 | 38 37 s 2H | 34 33 tddd 1H J 23 45 96 120 | 33 32 m 1H | 27 25 dddt 2H J 47 91 142 187 | 23 22 dtd 1H J 86 127 141 | 21 20 m 2H | 19 17 m 2H | 16 14 ddtd 1H J 22 99 125 143 | 10 10 dd 3H J 16 57 | 10 9 dd 3H J 15 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(-c2nc(N3CCC(O)CC3)ccc2Cl)nc2ccccc21 | ir: 4 1 3 4 1 1 2 4 8 1 1 1 1 3 1 1 1 2 1 1 1 4 13 5 1 4 5 1 1 3 2 1 1 1 1 3 1 1 1 2 3 37 46 7 2 1 1 1 1 1 1 1 3 5 9 0 5 3 1 2 1 0 1 1 1 1 4 4 2 6 2 6 4 4 4 2 1 0 1 1 0 0 3 5 13 7 10 17 90 6 3 1 8 6 0 1 2 2 1 2 2 4 3 1 2 1 1 5 8 2 1 2 4 1 1 1 1 2 1 3 7 3 2 2 1 1 12 6 3 2 1 5 12 9 5 2 3 2 61 3 7 10 41 6 6 20 7 31 2 0 3 1 44 2 1 2 0 1 10 7 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 2 1 2 1 2 0 2 2 2 2 3 3 6 5 16 25 12 11 6 3 1 1 24 100 10 3 1 1 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 0 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 1H | 76 75 m 2H | 74 73 m 2H | 68 67 d 1H J 88 | 40 39 s 2H | 39 38 h 1H J 49 | 38 37 ddd 2H J 68 93 139 | 36 35 ddd 2H J 68 94 139 | 30 30 d 1H J 48 | 22 21 dddd 2H J 49 67 93 128 | 19 18 dddd 2H J 49 67 93 126 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=C(C)C(=O)OCCNC(=O)Nc1ccc(O)cc1 | ir: 3 4 7 7 2 5 2 3 6 3 5 14 5 4 4 3 3 28 22 2 2 3 2 4 3 2 2 2 4 5 7 6 6 4 3 2 3 4 3 9 8 20 52 22 9 3 3 5 5 5 5 3 5 5 12 95 27 5 2 2 2 2 2 2 3 3 2 2 2 10 2 3 5 7 6 6 4 4 5 12 21 10 4 3 3 3 1 3 19 8 9 12 5 5 4 4 10 5 3 2 1 2 3 6 10 8 1 2 1 2 3 2 4 5 3 2 1 2 2 6 6 7 4 4 3 7 10 11 8 9 11 6 4 3 1 2 1 1 2 1 2 2 3 2 4 1 2 8 16 15 44 87 87 30 21 5 4 3 2 1 2 1 9 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 2 2 2 2 2 2 3 4 3 2 0 17 14 4 10 12 13 21 34 18 4 8 12 11 9 16 100 18 7 4 2 2 2 2 2 2 2 2 3 3 38 67 26 43 30 4 3 4 5 5 3 2 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 s 1H | 77 77 s 1H | 73 73 m 2H | 67 67 m 3H | 59 58 dq 1H J 8 17 | 56 56 dq 1H J 15 27 | 44 43 t 2H J 49 | 36 35 q 2H J 48 | 20 19 t 3H J 11 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)c1cc2cccc(O)c2o1 | ir: 57 100 72 15 10 8 4 7 13 15 5 7 7 6 7 12 11 6 18 14 9 4 5 9 7 4 4 6 7 13 13 18 8 8 5 8 10 5 5 6 5 3 5 6 8 10 9 17 29 29 19 11 7 3 6 10 5 3 6 9 7 5 6 8 6 5 11 11 12 6 10 10 6 4 8 11 4 3 8 18 10 8 9 8 6 10 15 19 8 5 8 8 6 10 8 6 4 5 12 10 3 5 7 6 5 8 14 23 7 5 16 36 75 6 5 6 4 6 9 7 5 6 12 7 8 6 5 21 7 7 8 4 4 6 9 8 20 31 28 28 7 10 10 8 5 7 6 3 6 10 7 4 21 22 5 3 4 9 6 2 20 13 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 7 4 3 5 7 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 4 6 6 3 4 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 7 5 3 5 7 5 2 5 7 5 3 5 7 5 3 5 7 4 3 5 6 4 3 5 6 4 3 6 6 5 5 7 6 4 3 6 6 4 4 6 6 4 4 6 6 4 4 7 6 4 5 7 6 3 4 8 6 3 5 9 6 5 7 12 13 11 26 19 33 22 20 11 6 0 14 42 57 10 6 4 5 5 5 5 5 5 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 3 5 6 5 4 6 7 5 3 5 6 5 3 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 5 6 5 3; 1HNMR: 83 83 s 1H | 75 75 d 1H J 21 | 73 73 ddd 1H J 13 22 92 | 72 71 m 1H | 70 69 dd 1H J 12 98 | 25 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(CNC(=O)[C@@H]2O[C@@H]2C)cc1 | ir: 2 2 3 2 2 2 3 2 3 6 5 3 4 4 2 3 3 2 4 3 0 3 3 3 2 3 5 18 23 24 17 15 13 6 10 17 9 12 8 13 7 4 5 6 15 11 4 3 7 5 6 11 19 22 19 30 10 7 9 2 4 4 3 4 3 1 1 1 2 9 3 1 2 1 1 1 2 2 2 2 2 2 5 2 5 3 6 16 3 4 3 1 2 2 3 4 5 15 6 5 2 1 1 2 1 2 2 2 0 1 0 1 0 1 1 2 2 2 7 6 8 9 10 5 7 7 3 7 1 2 1 1 2 1 2 1 4 12 6 5 3 8 17 12 100 4 11 12 17 18 9 7 16 60 39 12 3 1 2 1 1 2 12 2 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 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 1 1 1 1 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 1 1 2 1 1 1 1 1 1 1 1 1 2 3 5 12 21 14 25 41 29 7 10 5 4 4 4 4 2 1 1 1 1 1 1 1 2 1 3 6 11 9 9 29 34 40 10 3 5 3 1 1 1 1 0 1 1 1 0 1 1 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 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 t 1H J 55 | 72 71 dt 2H J 9 84 | 69 68 m 2H | 45 44 m 2H | 38 38 s 2H | 37 36 qd 1H J 35 53 | 34 33 d 1H J 37 | 13 12 d 3H J 51 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1nccc(-n2ccc3cc(C(=O)NCCc4ccccc4)ccc32)n1 | ir: 4 4 6 3 3 3 5 4 3 2 5 3 4 3 1 3 4 2 2 5 7 4 1 2 3 4 1 3 2 7 9 4 5 3 4 16 4 4 5 6 22 7 3 2 4 4 2 2 2 1 4 5 5 7 20 43 18 6 7 3 4 1 2 3 2 3 4 7 5 4 2 3 5 6 6 3 2 2 1 2 1 2 1 1 1 1 1 1 3 7 1 2 2 3 2 1 4 4 2 1 1 1 1 1 1 7 2 2 2 1 1 1 1 1 1 1 1 3 1 4 2 2 3 2 2 2 2 2 1 2 4 5 11 2 4 4 2 4 5 18 2 5 16 33 33 100 53 42 30 43 10 31 11 16 4 4 4 3 7 73 4 1 1 2 3 0 1 1 1 0 1 1 1 0 0 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 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 3 4 5 22 30 22 16 8 10 3 3 1 1 1 1 1 2 2 3 2 3 7 13 32 5 6 5 4 17 14 5 4 3 3 4 34 8 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 t 1H J 18 | 83 83 d 1H J 42 | 81 81 d 1H J 84 | 79 79 dd 1H J 16 82 | 79 78 t 1H J 49 | 77 77 d 1H J 59 | 73 73 m 3H | 73 72 m 3H | 69 68 dd 1H J 22 58 | 63 63 s 2H | 35 34 q 2H J 52 | 29 28 tt 2H J 9 52 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1nnc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)s1 | ir: 2 2 3 3 3 3 2 1 1 1 2 5 13 6 7 10 3 5 9 24 20 8 3 2 1 2 2 2 2 4 5 10 2 2 4 6 6 6 7 2 3 5 2 2 4 5 6 11 23 39 79 7 17 25 5 13 6 17 17 21 5 1 6 7 17 14 16 24 18 6 8 6 6 7 4 2 10 11 3 6 4 5 4 1 7 5 3 1 1 1 2 8 6 4 6 6 3 1 1 3 3 2 2 2 2 2 2 3 5 3 4 1 2 2 5 7 3 11 6 4 2 4 3 8 14 8 9 3 13 4 10 16 9 39 14 12 9 3 5 7 5 6 5 3 5 2 4 7 1 1 1 2 3 15 2 3 2 8 58 31 100 19 5 4 3 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 4 6 12 4 3 3 2 4 3 10 9 8 2 3 2 2 2 4 4 11 12 5 25 9 4 3 5 25 24 34 37 38 11 5 6 6 42 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 88 87 s 1H | 85 85 d 1H J 73 | 84 83 d 1H J 16 | 74 74 s 2H | 72 72 d 1H J 16 | 38 37 m 1H | 28 27 s 3H | 18 17 m 2H | 18 17 s 2H | 16 15 m 2H | 11 10 s 3H | 10 9 d 3H J 14 | 9 9 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CCN1Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)cc2C1 | ir: 5 7 7 5 6 9 13 7 5 5 5 6 14 11 5 3 4 5 17 34 6 6 10 2 8 4 4 21 3 14 9 9 51 11 3 4 4 29 6 13 23 14 13 7 50 25 6 10 3 7 12 15 27 61 33 18 9 18 7 7 9 17 5 10 16 21 5 4 27 0 5 3 1 2 3 8 8 7 47 3 4 3 4 12 14 7 6 2 9 11 6 10 12 48 17 6 7 3 6 9 7 7 8 10 2 3 2 2 3 4 8 8 71 27 14 10 3 10 27 54 60 43 7 20 10 5 10 6 7 8 3 2 5 9 35 42 95 79 13 7 9 16 9 55 71 33 12 11 6 13 43 48 24 11 6 3 1 3 7 12 6 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 5 5 5 4 2 3 6 2 19 14 16 33 22 55 79 100 16 21 11 16 4 3 3 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 70 | 78 78 dd 1H J 21 85 | 75 74 m 2H | 73 72 m 7H | 41 40 m 4H | 36 36 s 2H | 30 29 t 2H J 62 | 26 25 t 2H J 62 | 17 16 m 2H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nn(C(C)C)c2nc(O)cc(O)c12 | ir: 0 1 1 4 6 2 1 3 1 1 1 1 5 2 1 0 0 1 1 1 1 2 4 2 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 6 2 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 3 3 4 4 3 3 1 4 4 2 2 1 1 3 7 6 5 2 3 7 1 1 1 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 1 1 0 0 1 2 1 0 0 0 1 1 0 0 0 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 2 2 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 1 0 0 0 1 17 2 1 0 1 11 5 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 1 1 1 1 1 2 2 2 1 3 1 0 1 1 1 0 2 32 5 100 4 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 60 59 s 1H | 49 48 p 1H J 49 | 26 26 s 3H | 15 15 d 8H J 49 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1cc(Br)ccc1F)C1(O)CCc2ccccc2CC1 | ir: 2 1 2 2 2 6 8 3 4 1 1 1 1 0 1 1 0 0 1 0 1 1 0 0 0 1 1 0 0 1 2 1 1 1 1 1 4 3 4 2 2 17 3 2 1 1 4 1 0 0 1 1 2 11 7 0 1 0 1 0 0 0 1 1 0 1 1 1 2 1 1 0 1 1 2 6 6 12 7 4 2 8 2 3 3 3 2 2 5 12 2 2 5 3 6 3 4 4 4 8 6 4 3 2 1 2 1 0 0 2 5 1 2 1 1 2 2 4 1 2 1 3 1 1 1 1 1 1 1 0 0 1 0 2 1 1 1 4 9 7 7 6 7 4 0 1 1 1 20 13 1 1 0 1 0 1 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 3 1 0 1 1 2 1 2 3 6 5 15 48 15 5 3 3 3 2 28 100 14 5 3 0 1 1 0 0 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 25 35 | 77 76 ddd 1H J 26 37 77 | 73 72 dd 1H J 76 102 | 72 71 dd 2H J 37 58 | 70 69 ddt 2H J 10 38 56 | 44 43 s 1H | 29 28 dddd 2H J 8 81 89 152 | 27 26 dddd 2H J 8 83 91 154 | 23 22 ddd 2H J 82 90 143 | 20 19 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(C)c1nc(-c2ccc(Cl)cc2)sc1CBr | ir: 5 4 2 3 3 2 1 2 6 6 5 15 14 11 6 5 4 1 3 3 3 3 3 2 3 3 2 2 3 3 3 3 6 2 4 3 4 5 3 3 5 7 6 3 3 4 3 4 4 3 3 4 3 8 59 90 7 7 6 6 2 2 7 22 11 3 4 3 6 16 4 11 26 6 16 7 15 9 6 2 2 1 2 2 1 1 3 17 7 8 5 8 38 10 2 3 2 3 4 4 5 5 7 6 6 4 2 4 4 7 13 8 5 7 8 10 13 12 19 17 12 7 13 5 9 30 35 23 10 3 0 2 2 1 1 1 3 3 1 2 5 4 3 7 6 7 2 13 37 38 4 2 6 4 1 2 2 1 1 1 1 1 1 5 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 3 4 2 4 5 10 6 7 10 17 17 20 50 100 79 86 43 19 6 6 9 3 4 3 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 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 76 75 m 2H | 47 46 m 2H | 39 39 q 1H J 70 | 37 36 s 2H | 16 16 d 3H J 69 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cc(=O)c2c(OCC(O)COc3ccc(Cl)cc3)cccc2o1 | ir: 11 9 4 6 3 7 18 21 14 15 17 11 16 13 15 19 8 16 11 34 7 23 20 15 37 18 4 5 9 5 18 7 7 4 2 2 2 1 1 2 2 0 1 5 2 1 5 43 99 25 5 0 6 24 12 13 11 4 2 2 4 11 3 6 4 12 43 31 18 7 4 8 7 5 9 7 6 2 3 4 14 3 19 3 21 14 23 11 20 12 9 8 11 16 56 73 19 38 10 6 4 2 3 3 3 3 4 5 4 3 2 11 6 5 6 8 8 16 11 2 2 2 5 8 4 5 2 3 42 3 1 2 9 1 1 1 1 1 2 19 12 20 5 2 5 14 76 17 10 21 3 7 4 2 1 4 6 57 3 3 2 3 6 19 1 1 0 0 1 0 1 0 0 0 0 1 1 1 1 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 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 1 1 1 1 0 0 0 1 1 0 0 0 0 1 1 1 0 0 0 1 1 0 0 1 0 1 1 1 1 1 2 2 3 3 1 2 1 2 3 2 7 12 30 37 53 100 36 28 16 19 58 19 23 12 10 2 3 1 2 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 t 1H J 83 | 73 73 m 2H | 72 71 dd 1H J 9 84 | 71 71 dd 1H J 9 82 | 69 69 m 2H | 68 68 s 1H | 43 42 ddd 2H J 56 120 130 | 42 41 m 3H | 40 39 ddd 2H J 55 119 130 | 34 34 d 1H J 63 | 13 12 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C#Cc1ccc2ccccc2n1)Oc1ccc(C#N)cc1 | ir: 2 8 3 3 2 3 2 2 2 2 2 3 5 2 4 3 3 2 2 2 2 2 3 10 23 10 7 3 2 2 7 9 11 7 6 3 3 1 5 20 4 6 10 29 25 18 7 3 24 9 10 4 3 10 30 45 50 29 6 0 7 5 3 2 3 4 2 0 6 11 7 6 2 2 4 3 3 2 2 2 2 2 2 5 10 3 3 9 6 5 3 4 4 5 7 3 5 4 8 13 3 3 2 3 1 8 12 5 4 3 2 3 2 8 3 2 2 2 5 5 3 3 4 4 6 10 6 4 2 10 5 3 3 8 23 30 10 6 2 2 2 3 2 4 52 6 71 6 71 7 3 24 15 3 21 19 39 4 3 3 5 2 2 2 2 21 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 0 15 1 2 2 2 3 2 35 1 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 2 2 2 2 3 2 4 6 4 21 14 14 60 100 71 24 7 13 11 3 3 3 2 3 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 83 82 d 1H J 69 | 81 81 m 1H | 79 79 m 1H | 77 77 m 3H | 76 75 td 1H J 13 78 | 75 75 d 1H J 69 | 71 70 m 2H | 15 15 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)OCCC2CCCCN2C(=O)OC(C)(C)C)cc1 | ir: 11 6 5 18 12 12 7 15 17 81 10 33 52 33 0 5 4 3 5 5 6 4 2 12 34 3 3 4 3 1 2 6 10 1 2 3 4 2 4 5 6 7 17 18 4 4 6 5 4 7 5 12 26 9 8 8 3 2 4 6 3 4 7 6 16 24 7 16 47 16 8 7 3 4 3 4 3 2 3 4 4 13 5 4 93 39 4 7 50 17 6 6 9 15 36 6 2 5 6 7 3 3 6 4 2 3 6 6 3 5 11 12 5 12 10 5 4 14 18 44 13 12 12 5 12 18 8 9 7 6 9 9 11 9 16 14 29 12 5 2 1 3 4 2 3 4 8 18 4 12 21 100 11 3 3 2 2 2 2 1 3 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 3 3 5 5 5 3 3 8 5 3 3 5 5 4 7 8 48 34 26 43 11 6 9 5 3 1 3 4 2 2 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 43 42 m 1H | 41 41 dt 1H J 70 119 | 40 39 dt 1H J 70 121 | 39 38 m 1H | 35 35 m 1H | 24 24 d 3H J 9 | 21 19 m 2H | 19 15 m 7H | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)[C@H](Cc1ccc(OCCCCNc2ncccn2)cc1)NC(=O)c1ccccc1 | ir: 5 18 5 4 3 5 23 11 2 8 8 13 5 5 5 2 1 4 3 3 3 6 5 5 8 9 11 6 3 4 1 1 1 4 2 1 21 53 35 9 1 5 2 1 1 8 3 1 1 2 3 2 5 8 38 35 31 13 6 3 2 1 4 3 2 4 3 11 7 15 2 1 2 1 5 3 13 14 9 2 1 4 2 1 0 0 2 14 2 1 0 1 4 6 5 5 4 6 4 2 4 1 0 0 1 1 0 1 2 2 1 7 6 6 1 3 4 5 6 20 16 9 7 27 7 3 2 3 12 3 1 2 2 1 10 1 4 6 8 25 76 12 39 15 49 12 27 100 39 7 6 6 16 30 73 24 12 3 2 1 1 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 0 1 1 1 0 1 2 3 1 3 3 3 4 3 9 6 7 16 44 29 15 4 1 1 4 1 1 1 1 1 0 1 1 1 1 1 3 2 0 7 8 9 17 37 74 10 4 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; 1HNMR: 83 83 d 2H J 44 | 78 78 m 2H | 75 75 m 1H | 75 74 m 2H | 72 71 m 3H | 68 68 m 2H | 65 65 t 1H J 43 | 58 57 t 1H J 47 | 47 46 dt 1H J 69 90 | 40 39 t 2H J 56 | 37 37 s 2H | 35 34 td 2H J 47 69 | 32 31 ddt 1H J 8 68 141 | 29 29 ddt 1H J 10 68 142 | 19 17 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)OCCC2(C3(C)OCCO3)CC2)cc1 | ir: 2 6 1 7 4 1 1 3 7 15 8 15 14 8 9 3 2 1 3 3 3 3 0 3 17 1 0 1 1 0 1 6 3 1 1 1 1 1 2 7 5 2 2 1 10 9 8 4 5 2 2 4 11 8 5 3 1 3 1 1 6 2 2 8 23 34 11 6 13 11 12 5 2 2 4 4 3 1 1 2 2 20 1 6 100 13 7 9 12 6 5 2 1 9 17 9 5 13 5 5 9 8 4 2 1 1 1 1 6 6 4 2 2 2 2 2 1 2 4 6 4 4 4 3 5 9 4 3 3 4 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 8 26 2 3 2 1 4 3 2 1 1 1 1 1 7 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 2 1 1 1 1 2 4 3 1 1 2 4 8 5 3 4 14 26 17 8 16 13 8 10 5 1 1 1 1 1 1 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 42 41 t 2H J 49 | 40 39 m 2H | 39 38 m 2H | 24 24 d 3H J 10 | 19 18 t 2H J 49 | 13 13 s 2H | 11 11 m 2H | 9 8 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccnc(Cl)n1 | ir: 25 22 16 16 22 19 15 16 17 15 15 17 18 15 14 20 34 38 17 16 16 15 14 16 16 15 14 21 21 14 14 18 18 14 15 22 19 16 16 16 16 14 15 16 17 18 18 18 16 14 15 17 15 14 15 17 15 13 15 17 16 17 16 16 21 26 17 17 15 13 16 18 29 44 31 17 16 14 16 16 16 16 16 16 14 14 17 16 14 14 16 16 15 15 17 16 14 14 17 16 13 14 17 16 13 15 18 15 12 15 20 15 0 49 6 32 20 16 15 19 17 15 15 15 16 15 15 16 16 15 14 16 19 67 100 19 14 16 16 15 17 19 57 51 13 17 17 14 14 16 21 31 14 17 16 14 15 30 47 17 15 17 16 13 15 17 15 13 15 17 15 13 15 17 15 13 15 17 15 14 15 16 15 14 15 16 15 14 16 17 15 14 16 16 14 14 16 16 14 14 16 16 14 14 16 16 14 14 16 16 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 16 16 15 14 16 16 14 14 16 16 14 14 16 16 14 14 16 16 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 16 18 17 14 17 21 20 17 15 17 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 16 16 14 14 16 16 14 14 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 16 16 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14 15 16 15 14; 1HNMR: 86 86 d 1H J 46 | 78 77 d 1H J 46 | 40 40 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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