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N#Cc1cc(OCC2CC2)cc(-c2nc(-c3ccccn3)no2)c1 | ir: 3 1 2 3 3 2 5 7 6 4 3 3 4 1 4 3 2 2 2 8 27 13 3 3 2 1 1 5 2 5 2 1 2 1 2 11 13 6 4 14 7 8 4 2 1 0 1 1 1 1 2 3 3 28 11 3 4 2 2 2 2 0 1 3 5 5 8 12 15 39 9 6 3 1 2 3 1 1 5 4 7 6 2 2 4 5 3 4 1 0 2 1 1 1 2 2 1 4 10 4 1 1 2 2 10 3 2 1 1 1 1 1 0 1 1 1 1 3 6 2 1 3 7 3 3 3 3 15 13 10 33 9 1 2 5 4 2 7 26 8 31 75 5 5 2 4 4 2 1 3 5 7 6 4 2 1 1 3 3 18 3 2 5 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 8 2 3 6 5 15 100 52 7 11 6 3 4 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 88 88 dd 1H J 17 41 | 83 82 dd 1H J 14 92 | 81 81 t 1H J 21 | 79 78 ddd 1H J 17 71 91 | 74 74 t 1H J 21 | 73 73 t 1H J 22 | 73 73 ddd 1H J 13 40 71 | 39 39 d 2H J 44 | 14 13 pt 1H J 45 62 | 7 6 m 2H | 5 4 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC=CC1OC(=O)c2ccc(N)cc21 | ir: 6 6 7 11 14 26 6 7 6 3 3 3 5 3 1 5 5 3 3 4 5 2 2 4 4 2 1 5 5 2 3 6 4 2 3 9 7 2 3 5 4 2 2 4 5 1 2 5 3 1 2 5 3 0 19 9 6 1 3 5 3 1 3 5 2 0 5 8 4 1 4 8 4 3 5 5 2 1 6 18 5 1 4 4 2 2 4 4 2 3 16 5 2 2 4 4 3 3 5 3 1 2 5 3 2 3 22 4 0 3 5 5 5 4 6 4 2 6 9 4 15 4 6 3 2 6 6 3 1 4 4 2 1 4 4 11 4 5 31 5 1 4 4 2 1 5 4 1 16 7 4 2 2 22 14 16 100 23 6 2 2 4 7 32 5 5 3 2 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 1 2 4 3 1 2 4 3 2 3 4 3 1 2 4 3 1 4 7 4 2 5 8 4 7 17 34 6 4 4 6 3 2 3 4 2 1 3 4 2 2 3 4 4 59 16 7 2 2 3 3 2 2 4 4 3 66 10 6 7 4 4 3 1 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 78 77 d 1H J 83 | 71 71 dd 1H J 6 22 | 66 65 dd 1H J 22 82 | 65 64 dtt 1H J 10 19 70 | 60 60 ddq 1H J 16 69 148 | 58 57 dqd 1H J 18 55 148 | 50 50 s 2H | 15 15 dt 3H J 13 55 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CS(=O)(=O)Oc1cccc(CCCOc2ccc3c(c2)CCN(S(C)(=O)=O)C3)c1 | ir: 12 7 10 6 19 10 19 6 8 5 3 3 1 2 2 1 1 1 1 1 2 2 2 2 1 1 1 1 1 3 3 2 2 3 2 3 2 2 2 1 1 2 2 1 4 4 5 4 6 11 6 10 2 6 2 2 2 5 4 8 13 3 2 0 4 3 3 1 8 31 4 5 11 8 5 2 6 7 7 20 11 9 2 4 13 10 6 19 22 23 13 9 13 11 7 2 3 2 4 5 5 12 7 13 9 4 6 3 3 2 1 2 2 2 3 2 2 1 2 6 5 6 6 4 3 3 1 2 4 1 1 1 1 7 4 2 2 1 1 3 6 3 2 1 2 1 1 1 1 1 8 4 4 5 5 9 1 1 1 1 1 19 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 1 2 2 4 2 2 3 2 1 2 3 8 100 18 7 22 32 16 5 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 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 t 1H J 80 | 71 71 ddd 1H J 11 20 81 | 70 69 m 3H | 67 67 dd 1H J 21 91 | 66 65 dt 1H J 9 19 | 42 42 d 2H J 9 | 41 40 t 2H J 62 | 34 34 m 2H | 32 31 s 2H | 29 28 m 5H | 27 27 tt 2H J 9 85 | 20 19 tt 2H J 62 83 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCC(=O)Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(I)cc32)cc1 | ir: 2 7 3 3 1 3 6 9 4 3 4 9 27 17 8 2 1 2 7 3 24 4 5 8 16 4 1 2 10 7 5 3 10 10 22 20 12 12 10 6 9 17 21 8 6 6 9 9 4 7 2 4 4 1 9 2 5 31 3 1 1 1 1 1 1 1 1 2 5 2 4 0 0 1 1 0 1 3 1 4 1 0 0 0 1 1 0 2 4 2 1 1 1 3 3 10 3 19 11 5 1 2 9 6 26 5 2 8 10 17 4 4 1 1 6 3 8 2 2 4 8 3 1 2 2 2 2 1 1 1 0 2 9 44 5 8 1 1 2 2 3 2 4 6 17 14 24 11 5 19 15 9 16 6 15 4 7 16 7 93 2 9 6 5 5 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 0 0 0 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 1 1 1 2 2 4 7 2 5 36 11 2 1 3 1 1 2 2 2 2 1 2 1 1 1 5 2 2 3 4 9 35 88 54 100 15 5 7 10 4 2 0 1 1 0 1 2 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 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 80 80 d 1H J 23 | 80 79 m 2H | 77 77 dd 1H J 22 68 | 76 75 m 2H | 75 74 d 1H J 68 | 23 23 t 2H J 80 | 17 16 m 2H | 14 12 m 5H | 9 9 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(-c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)nc2c(C(=O)O)cccc21 | ir: 1 2 2 3 8 3 3 3 3 5 3 4 14 15 13 8 8 7 10 22 40 9 7 13 4 5 3 2 3 3 9 3 3 7 2 2 3 3 8 9 20 15 4 8 11 36 35 16 26 5 4 2 4 5 4 4 18 15 3 2 2 3 3 3 9 6 3 5 8 8 4 2 16 2 3 5 6 8 14 3 4 3 3 4 8 5 4 7 11 12 3 4 5 2 1 1 2 3 3 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 10 9 4 3 2 18 7 5 5 3 4 4 5 3 2 2 3 3 56 12 4 12 10 2 2 3 5 9 9 6 4 6 21 20 10 3 13 11 10 16 4 2 1 1 1 9 3 1 1 1 2 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 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 1 8 6 15 100 34 7 3 4 2 2 2 5 71 37 5 0 1 2 2 52 4 3 2 1 2 3 2 6 25 48 6 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 84 83 s 1H | 80 79 m 2H | 79 79 dd 1H J 12 85 | 78 78 s 1H | 77 77 m 3H | 74 73 m 7H | 52 52 s 2H | 40 39 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNCc1cc(COC)[nH]n1 | ir: 3 5 11 6 8 5 5 5 3 3 4 7 16 9 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 7 7 4 3 3 3 5 4 3 4 4 5 5 7 10 25 88 47 14 6 24 44 23 10 10 17 37 10 11 10 10 36 6 5 5 6 11 17 24 5 4 6 4 8 16 30 22 5 5 9 25 3 3 5 4 3 3 3 4 3 3 4 5 5 100 2 6 6 16 8 4 5 4 2 3 5 3 2 10 15 10 7 14 55 28 9 7 4 6 8 20 14 5 8 11 10 4 5 4 1 37 14 16 7 4 4 4 3 4 3 4 3 5 3 3 3 3 3 3 3 4 4 3 3 2 3 4 3 0 44 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 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 5 3 3 7 3 3 6 5 15 6 4 4 3 3 4 4 5 4 3 4 4 3 7 13 13 33 50 12 4 7 9 4 4 97 24 7 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 92 92 s 1H | 61 61 p 1H J 8 | 45 44 d 2H J 9 | 44 43 dtd 1H J 47 55 103 | 41 40 dd 2H J 8 48 | 34 34 s 3H | 26 25 d 3H J 55 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)cc1 | ir: 1 2 2 1 1 1 7 6 3 1 4 3 10 2 5 3 14 14 2 3 1 2 3 1 0 1 3 2 3 3 5 5 5 5 3 4 20 11 9 7 4 2 1 1 4 8 4 37 4 9 100 13 4 5 30 7 5 1 2 4 3 2 1 1 2 3 2 3 10 20 3 6 3 1 3 2 3 2 4 1 1 1 0 1 1 1 1 2 14 2 2 2 1 2 7 3 1 3 5 2 8 3 1 1 1 1 0 1 1 4 2 2 4 4 7 2 2 8 21 3 9 12 8 4 4 6 11 20 11 5 9 15 24 4 5 12 6 2 3 1 2 75 3 5 7 5 3 7 3 2 20 20 7 15 1 17 24 7 1 4 8 44 35 4 3 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 9 10 35 96 61 19 4 3 2 4 5 1 3 2 1 0 1 2 1 0 1 2 1 4 5 5 9 78 31 6 3 1 1 1 1 1 1 1 1 1 1 0 0 1 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 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 82 82 d 1H J 22 | 81 81 d 1H J 70 | 78 77 m 2H | 77 76 d 1H J 22 | 74 74 dq 2H J 12 67 | 74 73 m 2H | 73 73 m 1H | 72 72 m 2H | 51 51 d 2H J 9 | 23 23 d 3H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(CC2CCN(S(C)(=O)=O)CC2)SC(N[C@H]2CC3CCC2C3)=NC1=O | ir: 22 30 13 12 6 6 12 9 4 4 4 5 4 5 9 4 1 3 6 3 3 4 4 1 1 3 3 2 11 16 6 6 9 4 4 2 1 12 3 6 2 3 2 0 1 3 2 1 2 4 2 0 2 3 3 3 4 2 5 1 2 5 2 1 6 5 2 5 15 3 2 1 2 5 19 3 4 3 2 7 3 7 16 14 16 7 3 4 100 4 2 3 3 3 2 2 3 7 11 5 9 8 4 15 19 13 3 6 7 13 6 6 5 3 0 4 9 8 12 8 9 12 6 6 7 4 6 14 7 6 6 4 5 2 1 7 6 3 2 3 3 3 7 15 46 12 3 14 66 4 2 3 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 2 3 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 4 1 1 2 3 4 3 4 5 3 3 10 9 14 18 9 6 4 2 3 2 1 2 2 1 1 2 3 2 1 2 2 1 1 2 3 2 2 4 6 16 58 22 6 4 5 8 4 1 2 2 2 1 2 2 2 1 1 2 2 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 60 59 d 1H J 53 | 40 39 dddd 1H J 19 28 37 68 | 33 32 ddd 2H J 57 82 128 | 32 31 m 2H | 29 28 s 2H | 24 23 m 1H | 22 21 m 2H | 21 19 m 3H | 19 19 ddd 1H J 19 46 132 | 18 14 m 9H | 17 16 s 3H | 14 13 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C/C(=C\c1ccc(C(=O)OC(C)C)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C | ir: 4 6 9 8 6 8 6 4 4 6 6 5 14 15 50 57 6 18 11 6 2 7 4 3 6 5 4 2 7 5 3 3 12 4 2 2 2 3 2 2 3 3 4 2 2 3 4 3 3 4 2 0 7 10 11 61 26 11 4 5 5 4 9 13 9 4 7 9 16 9 5 6 5 3 9 7 5 6 6 5 3 6 18 16 3 2 5 11 3 5 3 2 2 3 3 5 2 3 4 3 6 4 16 4 4 3 2 4 9 5 24 13 28 7 1 8 13 42 3 10 16 16 5 8 16 21 19 16 5 15 8 14 12 6 4 2 2 2 2 2 3 5 12 44 12 8 12 10 11 10 40 42 11 6 6 11 10 13 5 3 3 2 3 4 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 5 5 5 3 2 3 5 3 2 4 5 5 10 9 24 51 39 70 100 43 35 11 7 4 6 3 2 3 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 m 2H | 75 74 m 2H | 73 72 m 2H | 72 72 q 1H J 15 | 72 71 m 1H | 53 52 hept 1H J 58 | 23 23 d 3H J 14 | 19 19 m 4H | 14 13 dd 18H J 60 110 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cn(CC3CC3)c(=O)c3ccc(Br)cc23)CC1 | ir: 2 5 5 16 11 15 13 6 10 10 4 17 6 7 6 7 3 2 1 1 1 5 1 5 4 3 1 1 3 5 7 8 2 7 6 5 5 4 3 3 2 5 3 3 1 53 20 2 2 4 4 1 5 2 2 2 3 2 2 1 2 8 5 10 12 7 2 2 15 9 3 1 3 27 10 2 0 0 2 5 19 8 24 1 7 48 30 6 6 3 1 2 2 2 0 1 2 13 9 12 6 2 2 3 5 1 2 5 19 19 1 2 4 5 1 4 7 6 3 9 7 6 8 8 22 12 0 8 2 13 9 7 6 11 6 3 3 5 2 4 12 1 0 1 2 1 5 6 3 2 3 100 3 23 10 37 3 0 1 1 1 6 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 3 3 3 1 1 2 5 6 6 10 12 15 16 22 11 7 5 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 9 | 80 80 d 1H J 89 | 78 78 d 1H J 25 | 77 77 dd 1H J 25 89 | 38 38 dd 2H J 9 46 | 37 36 m 4H | 35 35 dd 4H J 54 67 | 15 14 s 8H | 13 12 tt 1H J 47 59 | 6 5 m 2H | 3 3 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCC(S(C)(=O)=O)CC1 | ir: 3 18 30 11 29 27 31 31 14 15 35 33 5 5 6 3 2 3 5 2 2 3 3 1 1 3 3 1 1 3 3 1 1 5 4 2 2 5 4 2 3 5 4 1 3 11 6 3 3 4 3 1 4 5 3 2 5 19 10 9 6 5 7 3 3 6 14 10 15 32 39 0 5 4 3 2 3 4 2 1 3 5 2 2 5 7 30 21 34 7 1 2 4 5 2 7 16 10 10 18 10 12 8 16 14 42 23 37 20 6 4 5 10 10 2 8 4 8 13 14 34 27 14 24 10 6 1 7 13 11 14 8 9 4 9 11 10 5 3 4 4 2 2 3 3 3 3 3 3 11 100 75 11 4 2 4 3 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 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 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 2 3 8 10 5 4 7 5 7 5 5 7 8 7 8 26 54 65 51 24 4 6 6 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 38 37 ddd 2H J 64 92 115 | 34 33 ddd 2H J 64 92 115 | 33 32 dtdd 1H J 15 61 77 92 | 30 30 d 3H J 14 | 23 22 dddd 2H J 64 75 92 132 | 20 19 dddd 2H J 64 77 92 134 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O | ir: 11 18 13 5 7 5 3 4 4 4 3 4 7 14 28 21 9 16 11 14 8 18 79 12 16 12 9 12 35 62 37 56 21 9 6 5 13 7 2 3 3 4 21 22 3 3 6 6 19 4 9 6 4 3 2 4 2 5 9 4 3 3 2 2 2 4 8 4 12 13 5 3 3 4 4 8 12 7 21 75 12 12 6 5 6 10 2 3 4 4 3 10 4 6 3 3 4 5 5 3 17 7 68 9 2 4 7 2 5 6 9 11 3 9 29 13 3 3 5 21 4 6 5 6 2 4 4 4 6 8 9 2 4 17 1 4 13 4 15 13 6 59 67 11 51 8 5 15 9 96 8 2 2 3 3 2 4 2 2 0 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 8 4 4 3 3 4 8 8 6 22 8 19 42 17 2 5 5 2 3 2 5 5 8 5 2 2 3 2 2 2 3 3 6 3 4 6 37 100 3 4 4 2 2 3 2 2 2 2 2 1 1 2 2 2 2 1 2 2 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 2 2; 1HNMR: 78 77 dd 1H J 13 81 | 77 77 m 1H | 76 76 m 1H | 74 73 td 1H J 11 75 | 73 72 m 2H | 72 71 dq 1H J 10 79 | 65 64 d 1H J 90 | 52 52 d 2H J 10 | 43 43 dt 1H J 49 90 | 41 41 dd 1H J 8 114 | 40 40 dd 1H J 8 114 | 38 37 dd 1H J 49 119 | 35 35 dd 1H J 49 119 | 12 11 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(CCCCC1C=CCC1)OC | ir: 2 1 3 1 1 1 4 2 0 1 6 8 3 8 3 2 2 3 3 2 2 3 6 3 6 12 30 84 81 4 7 7 7 2 1 2 2 2 2 7 4 1 2 3 2 3 3 1 2 2 1 3 1 1 1 2 5 10 3 4 6 5 20 15 13 3 5 12 17 11 2 3 2 7 3 3 4 4 2 3 7 11 4 1 1 1 0 1 1 1 1 1 1 1 3 7 6 3 4 4 3 3 4 3 7 14 2 16 19 15 12 35 27 15 10 9 6 20 14 30 6 10 5 6 7 5 12 3 3 1 3 3 0 5 7 1 6 91 39 19 6 3 1 2 2 1 2 2 2 1 1 4 9 4 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 6 3 3 9 8 17 14 10 6 10 13 5 10 42 95 30 100 50 9 4 8 4 4 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 0 0 0 0 0 0 0 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; 1HNMR: 58 58 ddp 1H J 9 55 73 | 57 56 dtdt 1H J 9 18 37 73 | 34 33 m 1H | 32 31 d 3H J 15 | 29 28 m 1H | 23 22 m 1H | 22 21 m 1H | 20 19 m 1H | 17 12 m 12H | 9 9 td 3H J 15 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc(C(=O)N2CCOC3(CCN(CCOc4cccc(CCO)c4)CC3)C2)cs1 | ir: 0 5 6 3 7 11 6 3 4 4 2 4 5 2 10 2 2 2 4 3 2 3 3 1 1 3 3 1 1 3 10 2 2 1 2 2 2 2 2 2 1 1 2 2 2 5 16 17 1 2 3 3 1 1 1 2 5 3 3 11 3 2 5 2 3 8 6 1 11 7 6 5 2 2 4 5 4 5 6 20 5 3 4 7 15 18 42 24 10 26 20 21 6 8 3 4 3 9 8 4 6 6 6 5 2 2 0 1 1 2 1 1 3 3 1 3 3 2 0 4 1 6 8 4 10 3 6 5 2 3 1 2 2 1 2 3 7 1 2 2 14 7 2 3 4 12 19 5 1 1 1 1 3 2 6 5 1 1 1 0 2 12 1 1 1 0 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 2 3 4 2 3 2 2 1 3 5 5 11 7 12 100 10 4 5 1 2 3 11 37 5 3 1 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 72 72 t 1H J 80 | 69 69 tdd 2H J 11 22 81 | 67 67 tt 1H J 9 19 | 41 41 t 2H J 59 | 39 38 dd 2H J 41 52 | 38 37 m 4H | 37 37 dd 2H J 42 52 | 30 30 t 2H J 59 | 29 28 ddd 2H J 40 67 123 | 28 27 tt 2H J 9 58 | 28 27 s 3H | 27 26 ddd 2H J 39 67 123 | 19 19 ddd 2H J 40 68 132 | 17 16 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCC1Cc2c(c(Cl)cc3c(-c4c(F)cccc4F)noc23)O1 | ir: 3 2 3 5 4 3 2 3 4 2 2 2 3 4 3 3 2 3 3 2 3 3 4 4 2 2 2 3 4 4 2 2 3 2 2 2 3 2 2 3 5 2 3 4 3 4 51 47 15 11 5 3 4 7 13 10 8 5 9 14 7 19 26 28 4 4 6 8 7 3 3 7 11 4 23 33 14 2 5 3 2 3 5 5 4 4 11 61 20 37 40 51 6 15 61 12 2 11 7 5 5 48 8 5 22 20 17 15 7 4 21 9 4 3 4 3 3 4 9 5 4 9 9 13 12 14 6 5 7 8 11 4 3 3 7 5 4 5 42 12 14 7 3 9 11 71 7 5 2 3 2 2 2 2 2 2 4 0 79 1 3 5 4 1 5 9 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 4 2 3 4 5 5 5 7 7 21 8 13 6 11 12 16 11 25 41 13 62 100 53 5 11 8 4 3 28 21 20 8 4 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 75 74 m 1H | 73 72 m 3H | 50 49 tt 1H J 34 68 | 42 42 t 1H J 59 | 40 39 ddd 1H J 34 59 121 | 38 37 ddd 1H J 34 59 119 | 35 35 dd 1H J 67 168 | 34 33 dd 1H J 66 167 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ccnc(Cl)c1NC(=O)c1cccc2ccc(Oc3ccccc3)nc12 | ir: 3 2 2 2 5 4 4 4 9 9 8 7 10 5 8 8 18 8 4 3 4 3 6 2 4 9 5 6 4 12 17 6 12 15 8 19 37 10 21 21 14 21 26 23 31 50 22 16 5 5 9 43 51 46 5 5 7 3 1 2 2 2 2 5 9 4 9 3 11 12 1 4 4 11 15 13 8 4 5 3 1 6 5 2 1 2 1 1 1 7 2 1 2 8 2 2 2 2 1 2 8 3 4 2 2 3 3 4 15 28 3 1 0 2 1 3 2 3 1 10 3 2 1 2 3 0 1 1 1 1 1 1 28 12 13 39 16 6 6 3 1 5 6 22 22 11 9 4 10 20 19 49 49 26 32 100 13 3 4 20 100 31 3 3 4 15 1 1 1 0 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 0 0 1 1 1 1 1 1 1 3 3 3 3 10 10 40 39 6 5 5 2 1 2 2 2 1 1 2 1 1 1 2 2 11 25 33 4 4 6 11 26 16 6 9 22 61 96 38 12 7 0 1 4 2 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 83 82 d 1H J 80 | 80 80 m 3H | 76 76 t 1H J 89 | 74 74 m 2H | 72 71 m 2H | 70 70 tt 1H J 14 73 | 69 69 d 1H J 80 | 67 67 d 1H J 40 | 48 47 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2O)cc1 | ir: 4 11 10 6 11 19 12 11 11 15 10 5 5 5 6 3 3 5 2 2 2 3 4 1 3 2 2 3 1 5 4 5 3 3 3 1 2 1 6 18 25 6 3 2 1 1 2 1 4 2 2 3 6 5 9 9 4 3 2 0 1 2 2 10 3 7 5 3 5 9 2 1 2 3 2 2 2 4 4 2 2 3 1 1 2 3 5 7 25 85 27 23 8 3 3 2 2 6 7 4 3 4 2 3 3 5 4 2 4 3 4 2 2 3 4 3 4 5 8 6 9 7 6 5 6 5 3 10 3 2 3 2 2 1 2 6 5 6 2 3 3 2 10 3 4 4 1 5 13 11 33 12 5 4 3 2 1 1 1 1 1 0 13 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 2 2 1 3 4 4 1 5 16 15 100 7 13 4 4 2 3 5 51 3 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 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 1 0 1 1; 1HNMR: 74 73 m 5H | 71 71 m 2H | 69 68 m 2H | 52 51 s 2H | 43 42 ddt 1H J 41 53 62 | 39 38 dd 1H J 42 119 | 38 38 s 2H | 37 36 ddd 1H J 61 88 123 | 36 35 dd 1H J 42 119 | 35 34 m 2H | 32 31 dtd 1H J 9 55 63 | 22 21 ddt 1H J 57 88 130 | 20 19 ddt 1H J 58 88 130 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2c(c1)CNCC(=O)N2 | ir: 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 1 2 1 2 2 2 3 2 2 5 3 2 1 1 5 1 2 26 4 1 1 2 1 3 1 1 0 1 2 2 3 1 3 11 2 2 1 7 6 1 2 7 3 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 2 1 2 3 1 1 0 1 4 3 2 1 0 1 1 1 1 2 2 1 1 0 2 1 3 9 19 5 3 2 1 3 3 1 3 6 11 6 3 2 1 1 1 1 4 10 6 3 4 1 1 1 1 2 1 1 1 2 1 1 1 0 1 7 46 14 4 2 1 1 1 0 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 1 4 17 8 3 1 1 1 1 1 2 2 2 1 1 1 0 1 2 4 2 9 100 76 14 4 5 18 3 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 s 1H | 73 73 d 1H J 85 | 69 69 dt 1H J 8 19 | 69 68 dd 1H J 22 86 | 40 40 dd 2H J 8 59 | 38 38 s 3H | 36 35 d 2H J 59 | 24 24 p 1H J 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)CCN1CCC(Oc2ccc(Oc3ccccc3)cc2)CC1 | ir: 1 1 1 1 1 1 1 1 2 1 2 1 2 2 3 2 1 3 1 4 4 12 6 4 4 2 2 1 1 4 2 2 1 1 1 1 1 2 4 2 2 5 2 2 2 1 2 1 1 1 1 1 1 1 2 8 9 2 1 1 1 1 1 1 1 1 2 3 3 5 1 1 1 2 2 1 1 2 2 4 5 4 2 2 1 1 2 5 2 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 3 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 2 2 1 3 3 2 2 1 1 2 3 12 4 2 1 2 2 2 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 4 3 2 4 19 13 5 3 3 1 0 3 7 100 75 5 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 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; 1HNMR: 74 73 m 2H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 69 m 2H | 69 68 m 2H | 44 43 p 1H J 44 | 29 28 ddd 2H J 57 84 121 | 28 27 t 2H J 64 | 27 26 ddd 2H J 57 84 121 | 26 25 t 2H J 63 | 21 20 dddd 2H J 45 56 84 129 | 19 18 dddd 2H J 44 57 84 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nn(-c2cc(Oc3ccc(C(=O)NS(=O)(=O)C(C)C)cc3)c(Cl)cc2F)c(=O)n1C(F)F | ir: 10 6 3 3 5 6 5 4 3 2 3 1 1 2 3 5 5 5 4 4 3 12 6 6 2 5 7 2 5 6 3 4 4 4 5 4 7 14 18 40 14 11 14 14 7 4 6 10 4 4 2 1 2 2 2 5 13 9 2 0 1 2 2 4 4 3 5 8 13 16 4 6 6 29 11 4 2 2 3 1 1 1 1 1 2 5 7 8 7 2 0 1 2 3 1 3 2 4 3 3 2 2 1 2 6 4 4 4 11 5 10 3 4 3 0 3 4 2 2 4 5 3 1 2 2 2 2 2 3 2 4 8 9 6 16 42 22 14 1 2 8 1 2 7 19 6 100 6 4 5 6 12 15 2 1 3 4 1 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 3 2 1 1 2 1 1 2 2 2 4 8 2 3 5 6 5 12 7 18 5 4 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 13 25 11 4 4 4 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 m 2H | 75 75 s 0H | 74 74 m 1H | 73 73 d 1H J 42 | 72 71 m 2H | 70 70 s 1H | 32 31 hept 1H J 83 | 23 22 s 2H | 13 13 d 7H J 82 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)c1cccc(S(=O)(=O)n2ccc3ccccc32)c1 | ir: 1 3 4 4 2 6 2 17 14 4 16 8 12 35 4 8 4 3 6 1 3 11 2 1 1 3 25 1 1 3 4 28 34 17 2 3 10 4 2 1 1 3 10 100 13 5 9 57 4 3 1 1 1 3 1 3 7 3 1 5 13 4 3 2 4 6 14 7 14 7 13 10 4 3 3 5 2 2 3 2 1 5 13 19 15 15 44 5 10 38 8 8 3 5 1 18 4 5 10 34 27 7 6 2 1 12 3 1 1 1 1 1 1 3 1 1 1 1 2 3 2 2 5 14 13 14 23 7 4 2 2 5 6 10 3 11 3 3 2 4 11 43 21 15 7 2 2 2 1 3 3 1 9 8 2 8 4 2 1 1 1 3 2 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 11 11 7 22 88 71 28 21 8 4 3 5 1 2 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 81 80 m 1H | 79 79 t 1H J 17 | 78 78 dt 1H J 10 66 | 78 77 m 1H | 76 75 td 1H J 13 67 | 74 73 m 4H | 73 73 td 1H J 14 68 | 70 70 m 1H | 14 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=c1[nH]c(-n2cccn2)nc2ccccc12 | ir: 5 4 3 4 4 4 4 3 2 22 0 4 7 5 2 6 5 4 3 7 5 3 3 4 9 11 5 5 5 3 3 5 5 3 3 4 4 5 5 32 38 8 11 91 7 3 6 22 100 8 5 4 5 4 8 9 5 3 5 4 5 10 4 5 4 3 6 8 5 4 4 4 3 3 5 15 5 3 4 5 5 10 8 6 4 3 4 4 4 5 5 6 5 7 6 5 5 4 6 4 3 4 5 4 3 4 5 4 3 4 5 10 14 4 5 4 4 8 7 5 3 4 5 4 3 5 7 24 6 5 5 4 4 5 7 7 8 15 19 5 3 6 15 12 16 6 9 5 16 30 10 4 5 10 20 5 5 4 5 7 35 81 22 6 4 4 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 5 4 3 4 5 5 3 4 6 5 9 10 25 25 18 18 33 7 5 5 4 4 4 4 4 4 4 4 4 5 6 7 5 5 5 14 17 35 15 5 5 5 5 4 4 3 4 5 4 4 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3; 1HNMR: 81 80 dd 1H J 15 74 | 79 79 d 1H J 28 | 78 78 d 1H J 33 | 77 77 ddd 1H J 16 71 86 | 76 76 dd 1H J 15 85 | 75 74 td 1H J 13 72 | 65 64 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C)cc(C(Br)c2cc(C)cc(C)c2)c1 | ir: 2 1 0 1 2 2 2 1 2 1 0 1 2 1 2 1 2 1 0 1 1 1 0 1 2 1 1 10 6 10 10 2 2 6 2 2 2 1 1 1 1 1 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 5 6 17 6 6 4 3 1 3 8 8 1 3 5 8 17 19 3 1 1 1 2 1 1 2 2 1 0 2 2 1 7 6 16 15 40 18 5 2 2 4 8 6 2 2 1 1 1 2 2 2 2 2 2 1 1 2 1 1 2 3 1 0 2 2 1 1 2 5 10 40 13 5 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 8 41 13 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 2 4 3 4 6 1 4 6 11 8 100 49 19 19 6 8 3 4 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 71 71 d 4H J 21 | 68 68 m 2H | 55 55 d 1H J 9 | 22 22 s 12H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(N2CCNC2=O)cnc1OCC[C@@H]1C[C@@H]1C1CCN(C#N)CC1 | ir: 3 6 13 6 0 10 13 17 13 30 29 40 10 24 47 11 12 14 12 8 5 10 14 6 6 13 12 4 4 7 9 8 32 48 100 35 69 43 16 15 17 18 11 4 7 14 9 4 8 11 11 4 7 11 8 4 9 11 8 4 8 9 6 6 27 25 27 16 16 19 11 10 11 14 6 4 7 9 5 3 9 8 5 33 14 10 14 35 32 18 7 6 10 9 3 5 11 10 18 6 9 7 14 15 26 16 2 12 15 21 26 21 18 10 4 9 14 8 5 20 18 15 4 12 29 14 14 22 21 34 21 18 16 15 14 93 61 14 5 8 11 4 3 8 9 13 21 34 15 12 7 10 12 8 46 20 33 57 64 39 14 6 7 9 6 2 5 9 5 1 5 9 5 1 5 9 5 1 6 10 4 1 7 13 78 3 6 7 4 2 6 7 3 2 6 7 3 3 7 7 3 3 7 7 3 3 8 7 2 3 8 6 2 4 8 6 2 4 8 6 1 4 9 5 1 5 9 5 1 5 9 5 1 5 8 4 1 6 8 4 2 6 8 4 2 6 7 4 3 6 7 3 3 7 7 3 4 7 8 3 4 7 7 3 4 7 7 2 5 10 8 4 7 13 12 4 8 15 10 4 6 16 18 26 17 18 24 9 32 19 17 5 8 9 5 3 6 8 5 2 6 9 4 3 8 8 8 13 13 14 17 33 48 51 13 6 8 8 4 4 7 6 3 4 7 6 3 4 7 6 3 5 7 6 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 7 4 2 6 7 4 3 6 7 4 3 6 7 4 3 7 7 4 3 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 2 4 7 5 2 5 8 5 2 5 8; 1HNMR: 79 78 d 1H J 18 | 73 72 m 1H | 60 59 t 1H J 22 | 43 42 dt 1H J 54 126 | 42 41 dt 1H J 54 126 | 40 39 m 2H | 35 34 ddd 2H J 60 87 115 | 34 34 m 2H | 34 33 ddd 2H J 60 86 115 | 21 21 s 3H | 20 19 ddt 1H J 53 66 134 | 18 18 dddd 2H J 41 60 86 117 | 18 17 dq 1H J 41 80 | 17 16 m 1H | 15 14 dddd 2H J 41 60 88 117 | 10 8 m 2H | 8 7 td 1H J 60 74 | 5 5 dt 1H J 66 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1nc(-c2nc[nH]n2)c2nc(-c3ccc(F)cc3)ccc2n1 | ir: 2 5 2 1 2 2 6 10 2 4 2 4 2 4 8 3 2 2 2 2 6 3 2 1 1 1 2 2 1 1 1 1 2 1 2 5 2 3 4 6 25 11 2 2 2 1 3 6 1 2 12 10 4 16 15 23 45 1 5 2 2 1 1 2 1 3 1 1 3 20 1 2 2 1 1 1 2 7 10 3 2 28 15 9 11 16 13 6 6 31 14 4 12 37 26 2 2 5 33 8 4 6 4 1 1 1 1 1 2 45 8 2 1 1 2 1 1 1 5 6 2 2 1 2 8 7 9 3 1 5 8 15 3 1 2 1 1 3 40 6 4 0 0 3 3 3 35 2 3 2 7 8 12 9 13 20 16 15 8 0 2 5 2 1 1 1 1 7 1 1 1 6 14 1 1 1 1 1 7 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 5 6 9 34 100 30 34 20 4 6 4 3 4 5 10 54 36 15 3 2 2 2 5 33 2 1 1 1 1 1 1 1 1 2 8 54 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 24 | 82 82 d 1H J 77 | 82 81 d 1H J 77 | 78 78 m 2H | 71 71 m 2H | 63 63 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
FC(F)(F)Cc1ccc(CCl)cc1 | ir: 3 1 1 1 1 2 1 3 1 1 3 1 5 4 2 1 5 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 1 2 15 2 2 2 1 1 2 3 18 13 2 1 1 1 1 1 1 1 6 2 8 100 3 4 3 1 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 2 1 32 6 6 10 25 51 8 3 2 1 5 1 74 4 3 15 13 1 2 5 1 1 1 0 1 1 3 2 1 1 12 2 1 1 3 5 6 6 5 3 4 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 5 12 10 2 3 2 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 1 1 1 1 2 1 4 8 7 14 19 10 3 4 3 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 dt 2H J 8 73 | 72 71 dt 2H J 9 73 | 46 46 t 2H J 8 | 33 32 qt 2H J 9 101 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(-n2c(C)c(C)c(C#N)c2N)c(C)c1 | ir: 2 7 23 16 16 13 19 7 1 15 20 11 5 8 8 4 5 6 7 7 3 6 7 4 5 6 6 3 4 8 6 5 6 6 12 3 4 9 8 6 28 7 6 4 5 6 7 7 5 5 5 4 5 6 9 100 15 10 5 2 4 7 4 3 8 20 9 11 16 14 11 14 8 7 3 2 6 7 4 5 25 4 4 3 4 5 4 5 5 4 19 14 7 6 3 4 5 4 4 8 22 8 3 4 6 4 3 4 8 5 4 5 6 5 1 7 8 8 5 6 7 4 4 6 8 4 5 11 8 5 4 8 7 3 3 4 5 4 3 5 13 12 3 5 6 9 4 6 20 19 9 48 7 22 8 8 6 3 10 72 22 7 7 7 4 2 4 6 4 2 4 6 4 2 4 5 4 2 4 5 4 3 4 64 2 1 4 6 3 2 4 5 3 3 4 5 3 3 5 5 3 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 5 4 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 4 4 7 7 5 6 8 6 4 5 7 7 4 5 9 8 14 12 22 12 30 51 14 6 3 5 9 4 1 5 7 3 1 5 7 2 0 8 71 17 9 3 2 4 4 3 3 4 3 3 13 61 6 5 5 4 3 4 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 4 5 4 2 4 5; 1HNMR: 75 74 d 1H J 79 | 69 68 dd 1H J 22 79 | 66 66 m 1H | 38 38 s 3H | 23 23 s 3H | 22 22 s 3H | 21 21 s 3H | 6 6 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNCc1ccccc1N1CCOCC1 | ir: 5 5 4 4 3 4 5 6 5 6 7 4 4 4 6 11 7 5 4 4 3 5 13 14 19 5 4 4 14 28 19 4 5 8 5 4 8 6 8 8 15 68 81 67 69 10 37 27 18 27 18 22 8 0 47 68 16 34 49 26 17 16 12 14 14 7 18 11 10 7 8 15 75 47 31 20 9 12 9 20 8 7 8 6 7 14 14 27 15 7 18 16 7 7 15 14 17 23 14 8 7 5 6 7 4 7 13 9 14 20 60 52 82 24 10 10 27 10 10 7 8 9 7 8 10 8 2 7 8 5 14 43 29 22 15 6 5 34 23 17 5 5 7 11 18 22 9 7 50 40 9 9 5 5 6 3 4 4 4 17 13 4 3 4 3 3 3 4 3 3 3 4 3 3 3 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 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 4 4 4 4 4 4 4 7 10 6 7 4 5 4 5 6 5 21 23 42 60 48 43 27 10 6 5 4 5 5 4 5 5 5 4 6 6 14 8 16 75 100 92 30 8 7 5 5 3 3 4 4 4 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 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; 1HNMR: 72 71 m 2H | 69 68 td 1H J 14 79 | 67 67 m 1H | 41 40 dp 1H J 50 59 | 39 39 dd 2H J 8 57 | 38 38 m 4H | 34 33 m 4H | 25 24 d 3H J 50 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(C(=O)CCCC2CCCCC2)c(OC)cc1C | ir: 7 3 4 5 4 3 3 4 3 3 3 3 4 3 5 3 3 1 1 2 2 4 1 2 3 4 2 6 5 5 2 2 5 9 5 1 7 3 5 8 4 2 4 5 9 3 3 10 3 2 2 3 2 5 3 3 5 0 2 6 3 0 4 10 6 10 8 19 15 11 8 7 6 3 2 3 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 3 5 5 3 2 3 1 3 7 7 9 11 15 5 10 4 6 5 6 4 8 11 2 4 9 9 4 3 12 8 6 12 2 11 9 5 4 5 17 7 7 11 28 8 3 3 2 3 5 7 27 4 2 1 2 4 36 5 7 4 27 6 3 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 2 4 1 2 3 9 10 5 2 4 2 4 4 6 8 24 4 8 100 9 4 2 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 1 0 0; 1HNMR: 72 72 s 1H | 70 70 s 1H | 40 39 s 2H | 39 39 s 2H | 30 30 t 2H J 84 | 22 22 s 3H | 16 13 m 15H | 12 11 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCN(CCc1cc[nH]n1)C(=O)c1ccccc1-n1nccn1 | ir: 32 19 7 5 3 3 2 4 1 3 1 2 3 3 3 1 1 2 2 9 4 4 2 1 2 1 2 1 2 3 7 2 3 3 3 4 7 18 59 31 24 23 88 100 52 45 9 2 3 10 1 1 1 4 3 2 3 2 1 0 1 2 1 2 1 2 2 0 3 3 2 2 1 2 1 15 5 2 1 2 1 1 3 1 2 5 3 1 2 7 3 10 15 11 18 8 8 4 3 3 3 7 5 5 4 12 3 5 3 5 25 8 8 6 7 4 5 3 3 3 6 15 44 14 10 9 15 11 2 2 1 3 8 9 12 12 13 8 10 4 7 6 9 37 8 7 17 38 11 19 12 17 18 20 4 13 2 2 2 1 6 4 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 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 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 1 1 2 3 2 2 5 2 2 3 2 3 10 6 21 54 25 21 23 22 19 15 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 3 41 5 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 81 81 s 2H | 80 80 dd 1H J 16 73 | 79 78 dd 1H J 15 82 | 75 74 ddd 1H J 14 71 83 | 74 74 m 2H | 61 60 dt 1H J 8 18 | 37 37 t 2H J 59 | 35 34 q 2H J 75 | 31 30 td 2H J 9 59 | 12 12 t 3H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@]1(O)C[C@H]2CCCC(=O)N2[C@H](c2ccc(F)cc2)C1 | ir: 1 2 1 1 1 1 1 1 1 2 1 1 2 3 2 1 1 2 1 1 0 0 0 1 1 2 5 3 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 0 0 1 2 3 3 2 2 1 5 1 11 6 7 6 2 1 1 1 1 0 1 1 1 1 1 7 1 1 1 2 1 1 7 3 2 2 3 4 2 1 1 1 1 1 2 2 2 2 7 4 5 3 3 3 2 1 1 2 5 2 1 1 1 2 3 3 1 1 1 1 3 2 1 2 2 4 5 4 3 2 1 1 4 3 1 1 1 1 1 1 1 1 1 2 9 3 1 1 0 1 1 0 1 4 8 9 6 1 1 2 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 0 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 3 9 0 7 16 5 3 2 2 4 11 100 21 5 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 73 72 m 2H | 71 71 m 2H | 49 48 m 1H | 40 39 dddt 1H J 37 50 64 76 | 37 37 s 1H | 25 23 m 2H | 22 21 m 2H | 20 18 m 4H | 18 16 m 2H | 13 12 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCCCn1c(CN(CCc2ccccc2)C2CCCc3cccnc32)nc2ccccc21 | ir: 4 4 8 9 3 5 3 6 3 1 4 5 3 2 5 2 3 5 5 5 4 14 5 2 2 1 4 5 3 7 13 5 13 17 5 8 12 6 7 21 41 40 61 15 3 0 13 40 8 4 7 2 10 9 4 4 4 6 29 10 14 22 21 13 4 4 4 4 5 11 8 17 8 56 48 49 13 16 6 4 4 10 20 15 22 9 2 4 12 11 8 4 7 7 1 6 4 4 2 4 2 5 2 2 2 2 3 7 4 9 19 13 8 3 5 7 11 4 9 9 5 9 29 13 13 6 4 4 8 4 9 12 60 75 87 45 22 24 28 25 7 6 11 38 13 8 17 18 2 3 12 7 1 5 8 8 5 1 1 2 1 7 1 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 1 1 0 1 0 0 1 1 1 1 1 2 2 3 6 6 2 3 4 5 3 5 5 10 13 4 21 54 74 13 5 2 2 2 2 1 2 2 4 5 7 27 53 11 29 11 5 3 7 100 34 3 7 3 2 1 1 1 0 1 1 0 0 0 0 1 0 0 1 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; 1HNMR: 85 84 dd 1H J 20 48 | 76 75 m 1H | 75 74 m 2H | 73 73 m 2H | 73 72 m 6H | 67 67 t 2H J 59 | 44 43 t 1H J 57 | 41 41 t 2H J 63 | 40 39 d 1H J 139 | 39 38 d 1H J 137 | 31 30 dt 1H J 59 128 | 30 29 dt 1H J 60 126 | 29 27 m 6H | 22 21 dddd 1H J 57 67 95 134 | 21 19 m 3H | 19 18 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)C1CCc2ccc(Oc3ccnc4[nH]c(=O)ccc34)cc2C1 | ir: 3 1 1 2 1 2 2 1 2 2 6 9 3 8 8 10 7 11 9 23 19 28 48 36 6 5 8 5 4 3 2 3 3 3 3 5 3 4 5 1 2 79 9 3 25 81 11 5 12 2 3 3 2 15 9 13 12 2 3 3 1 1 1 2 1 1 2 4 6 4 3 4 6 6 14 6 18 5 57 40 9 7 4 3 1 4 9 5 3 3 8 3 6 8 15 4 3 3 4 2 3 1 2 2 1 4 2 2 6 3 3 2 7 6 4 4 6 2 4 3 2 4 3 3 2 1 3 3 3 2 2 3 2 2 1 2 1 2 2 1 2 5 37 40 12 3 8 2 2 5 28 77 10 8 6 0 1 6 100 18 8 1 15 23 3 0 1 2 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 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 2 2 2 4 2 2 3 3 3 5 7 2 11 37 37 25 11 3 2 1 1 2 35 12 15 2 2 2 1 1 2 1 1 2 3 5 18 13 21 18 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 49 | 83 82 d 1H J 105 | 71 70 d 1H J 49 | 69 69 dt 1H J 9 87 | 68 68 dd 1H J 21 85 | 66 65 dt 1H J 8 19 | 64 63 d 1H J 106 | 31 30 ddd 1H J 8 71 144 | 30 29 dddd 1H J 9 61 88 148 | 28 27 m 3H | 22 21 ddt 1H J 63 88 135 | 19 18 ddt 1H J 63 87 134 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc2c3c1N(C)CC3CN(C(=O)OC(C)(C)C)CC2 | ir: 23 56 25 11 10 15 12 18 11 18 36 71 71 22 20 33 19 14 19 16 31 26 10 15 10 15 7 8 8 5 5 10 9 5 5 8 9 11 8 10 10 6 16 14 8 4 7 10 13 7 12 13 11 21 87 50 25 22 9 8 15 26 17 14 7 6 11 21 11 10 11 8 8 5 7 10 6 6 8 10 7 6 23 11 13 27 26 11 15 14 11 9 13 22 11 15 15 14 12 14 16 51 49 19 9 9 11 11 17 26 20 15 16 33 52 24 13 28 39 40 50 36 48 21 49 65 21 35 26 31 24 22 20 13 36 41 28 16 17 11 7 7 10 24 34 26 15 11 27 26 21 56 5 25 79 0 5 15 8 6 13 11 8 2 6 10 7 2 6 10 6 2 6 10 6 3 6 9 6 3 7 9 5 3 7 9 5 4 7 8 5 4 7 8 5 4 7 8 5 5 8 7 5 5 8 7 4 5 8 7 4 5 8 7 4 5 8 7 4 6 8 6 4 6 9 6 4 6 9 6 3 6 9 6 4 6 8 6 4 7 8 5 4 7 8 5 5 7 8 5 5 7 7 5 5 8 7 5 6 8 8 5 5 8 8 6 6 8 8 8 10 16 16 8 16 13 11 8 13 10 20 14 15 58 64 21 90 100 26 11 17 17 7 5 7 9 6 5 7 8 6 5 7 8 5 5 7 8 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 8 7 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 6 8 6 5 6 8 6 4 6 8 6 4 6 8 6 4; 1HNMR: 70 70 dt 1H J 8 84 | 69 68 dq 1H J 11 85 | 39 38 m 2H | 38 36 m 6H | 30 29 m 2H | 30 30 s 3H | 22 22 d 3H J 11 | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)C(NC=O)c2ccc3c(c2)OCO3)cc1 | ir: 7 6 6 16 10 15 50 29 6 11 4 14 35 58 9 7 6 3 1 11 26 8 11 26 36 68 18 13 7 2 3 24 18 4 5 9 3 2 2 5 5 4 4 8 5 5 5 7 8 4 7 9 30 73 38 10 10 3 5 7 4 5 7 31 26 28 20 24 57 55 27 28 20 2 4 5 3 2 5 6 5 10 9 100 12 17 7 8 7 9 6 5 4 18 38 16 3 3 8 6 8 4 5 5 10 10 6 5 26 15 22 8 1 4 6 8 16 14 16 9 8 7 10 4 21 15 10 5 3 4 6 3 2 4 4 3 2 5 9 15 62 59 22 12 3 6 14 37 5 9 24 3 6 14 17 12 3 5 3 2 7 8 4 0 2 5 3 0 2 5 2 0 2 4 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 2 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 4 4 2 2 4 3 2 4 5 3 2 3 5 4 2 4 6 6 11 6 7 8 18 59 55 42 7 6 7 7 3 4 4 3 1 3 5 2 2 4 5 3 2 4 6 6 10 29 22 12 6 5 4 2 2 3 3 1 2 4 3 2 3 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1; 1HNMR: 83 82 dd 1H J 18 75 | 79 78 m 1H | 78 77 m 2H | 74 74 dq 2H J 9 93 | 71 71 ddd 1H J 7 20 81 | 69 69 dd 1H J 7 18 | 69 68 d 1H J 80 | 62 62 dq 1H J 10 106 | 59 59 s 2H | 24 24 d 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cccc([C@]23C=C(C#N)C(=O)[C@@H](C)[C@@H]2CCc2cncnc23)c1 | ir: 20 9 15 11 8 7 19 10 7 4 4 7 8 19 21 18 30 7 3 5 11 3 2 5 9 7 6 14 20 25 17 17 65 3 12 21 19 16 100 17 14 2 7 13 16 33 87 34 38 8 12 9 5 1 4 8 4 3 6 9 6 4 10 19 5 2 21 9 11 11 18 9 6 8 8 18 9 2 37 10 4 8 7 9 2 11 19 7 2 2 6 6 3 5 8 8 2 37 8 12 1 4 8 10 6 4 8 7 1 24 17 24 41 31 54 28 2 12 83 15 9 20 9 16 39 47 12 11 16 11 11 8 10 13 7 3 3 6 5 4 5 16 10 11 12 57 59 98 11 9 9 3 5 27 18 5 7 72 30 8 5 8 5 2 3 8 4 1 4 7 4 0 4 7 4 1 4 7 3 1 4 5 15 46 4 6 3 1 4 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 6 4 1 3 6 4 1 3 6 4 0 3 6 4 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 2 2 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 3 6 4 2 3 6 5 2 3 8 5 1 3 7 7 4 7 8 9 6 7 26 47 43 39 42 55 21 7 9 4 2 5 6 4 2 5 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 4 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 88 87 d 1H J 18 | 84 84 dt 1H J 8 17 | 81 81 t 1H J 21 | 80 79 ddd 1H J 12 21 73 | 77 77 d 1H J 17 | 74 73 dd 1H J 74 81 | 73 73 ddd 1H J 12 21 81 | 39 39 s 2H | 31 30 dddd 1H J 9 68 93 170 | 30 28 dddd 1H J 8 68 93 173 | 28 27 dq 1H J 64 101 | 24 22 m 2H | 19 18 m 1H | 12 12 d 3H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#CC1COC1 | ir: 1 4 7 4 1 4 7 4 2 5 12 8 5 7 14 19 18 12 7 4 3 5 6 4 4 6 15 7 11 8 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 3 5 30 6 100 17 5 4 9 4 0 5 9 5 2 4 7 4 2 5 7 4 2 6 12 7 5 15 16 23 10 17 11 7 4 8 6 3 5 8 8 3 8 22 10 4 3 6 8 13 8 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 6 1 5 12 3 2 5 7 12 6 7 7 4 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 7 2 9 6 4 2 5 6 4 3 5 6 3 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 5 7 9 5 3 23 25 22 7 5 13 9 8 7 6 4 2 4 6 4 3 4 6 4 2 5 6 4 14 6 14 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 6 4 3 4 6 4 2 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6; 1HNMR: 38 38 dd 2H J 33 99 | 36 35 dd 2H J 32 100 | 33 33 h 1H J 31 | 23 23 d 1H J 29 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)N1CC[C@H](N)C1=O | ir: 2 2 2 5 3 2 3 2 2 2 2 2 3 3 3 3 3 5 3 23 16 2 3 2 3 3 2 2 2 3 22 4 2 3 4 4 7 3 2 3 2 2 2 2 2 2 2 2 3 3 4 3 2 2 2 7 17 17 9 4 5 23 16 9 34 24 4 7 16 71 100 17 7 6 10 24 29 27 11 6 11 22 8 3 4 2 3 3 3 4 4 20 18 6 4 3 3 7 5 6 3 4 3 3 3 4 6 7 4 4 4 7 17 13 10 12 9 7 6 6 5 7 7 8 11 18 25 9 6 14 14 14 13 15 20 15 19 11 6 2 2 3 3 1 3 4 3 0 9 75 1 4 2 1 1 3 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 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 3 2 2 2 2 2 2 3 3 4 2 2 2 3 3 3 3 4 2 5 8 7 10 19 7 3 2 2 2 2 2 2 2 3 2 4 4 4 6 9 25 30 21 36 24 10 10 12 71 89 7 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 39 38 hept 1H J 68 | 38 37 dtt 1H J 19 38 77 | 36 35 d 2H J 57 | 35 34 ddd 1H J 49 68 119 | 34 33 m 1H | 21 20 dddd 1H J 19 49 69 136 | 19 18 dddd 1H J 38 49 68 134 | 12 11 t 6H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1cnc(-c2cc(C#N)ccn2)c1-c1ccc(Cl)cc1Cl | ir: 3 1 1 2 1 9 1 3 2 2 4 2 5 2 0 5 1 2 1 2 2 5 2 1 1 1 2 2 1 1 1 1 2 4 2 3 1 2 6 16 12 5 17 3 4 1 1 3 4 1 2 3 4 4 14 12 2 1 2 11 3 3 6 1 2 8 3 37 4 2 4 14 22 2 2 2 2 1 2 3 2 1 3 10 6 2 2 1 6 2 2 1 2 5 20 6 3 15 3 23 0 2 3 7 2 13 8 3 2 2 4 10 2 5 6 4 4 2 2 7 9 5 11 9 4 2 4 2 2 2 3 2 2 4 5 7 2 2 2 1 1 4 4 2 2 2 2 2 5 56 8 2 27 2 2 2 2 19 2 1 2 2 1 1 2 10 2 1 1 1 5 1 1 2 1 1 1 2 2 4 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 4 7 23 100 37 83 12 5 3 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 44 | 82 82 d 1H J 21 | 76 76 d 1H J 81 | 76 76 d 1H J 7 | 76 75 m 2H | 74 74 dd 1H J 20 81 | 39 39 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1 | ir: 4 3 2 4 6 4 8 11 40 22 12 12 5 4 8 2 6 9 10 1 1 6 21 23 5 6 7 4 14 12 54 17 65 44 33 10 20 18 46 44 17 4 9 2 3 1 2 6 4 4 3 8 6 8 5 3 4 14 5 12 3 4 4 6 4 21 86 100 34 27 12 10 11 24 13 17 7 3 1 1 5 9 8 4 2 1 2 1 1 2 6 11 24 20 16 9 25 8 5 10 4 1 1 2 3 2 2 3 5 19 3 10 10 11 17 13 30 22 19 24 25 67 60 23 20 10 7 33 21 48 6 1 2 2 1 3 2 4 4 4 4 5 23 18 45 78 45 29 12 6 4 3 2 1 3 1 2 34 23 34 11 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 3 4 5 2 2 4 5 5 6 5 4 8 5 7 11 25 27 30 23 56 23 13 9 7 2 2 2 2 2 3 1 2 1 1 1 2 2 3 6 7 15 31 36 60 57 29 16 3 3 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 70 69 tt 1H J 22 121 | 69 69 dq 1H J 9 18 | 69 69 dq 1H J 9 19 | 67 67 d 1H J 86 | 45 44 dq 1H J 68 88 | 43 42 qd 2H J 38 64 | 37 36 m 2H | 14 13 d 3H J 68 | 13 12 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)c1cccc(-c2nc(Nc3cc(C)[nH]n3)cc3ccccc23)c1 | ir: 2 3 21 4 0 3 5 2 1 3 6 2 3 3 5 6 2 3 9 11 7 19 5 3 5 8 11 9 19 10 9 15 75 43 33 16 3 5 3 3 2 8 8 46 4 1 5 14 31 41 10 2 3 5 3 2 3 6 5 2 7 7 3 2 3 12 19 11 24 10 11 13 7 10 7 21 14 4 2 3 3 2 2 2 3 5 1 2 2 4 1 2 3 3 3 30 34 7 10 19 11 9 8 4 3 3 6 12 19 9 3 3 4 3 5 9 24 6 7 6 9 7 18 7 7 43 31 21 5 4 2 1 1 22 6 4 3 3 5 11 14 13 40 42 55 7 21 46 12 2 2 4 7 25 22 16 11 6 18 19 50 3 7 8 2 0 4 100 3 1 1 2 2 1 2 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 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 2 2 3 2 1 2 2 2 2 3 3 2 3 2 2 5 4 7 11 35 55 87 27 29 6 5 5 5 1 3 3 2 1 2 2 1 1 3 4 7 3 5 3 7 25 58 36 63 23 21 11 6 7 4 4 1 1 3 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 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 93 93 s 1H | 84 84 t 1H J 21 | 80 80 m 1H | 80 79 m 2H | 78 77 m 3H | 77 76 dd 1H J 78 87 | 76 75 ddd 1H J 12 71 85 | 75 74 td 1H J 13 75 | 58 58 s 1H | 27 26 s 3H | 23 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(OC)c2nc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)c3n[nH]cc3c2c1 | ir: 3 3 2 3 3 1 4 1 3 1 2 6 7 9 3 5 6 10 9 19 17 7 22 47 14 16 10 5 1 3 4 2 2 3 4 1 2 7 9 27 15 6 2 2 3 2 6 4 3 4 32 17 4 22 17 52 23 16 10 4 6 5 3 5 5 8 5 17 11 20 9 3 3 5 3 2 2 3 3 5 2 3 4 7 4 3 4 8 4 3 6 2 3 5 3 9 10 11 23 7 10 3 6 5 5 12 5 5 5 28 6 2 2 3 12 2 1 2 2 1 3 2 7 4 1 7 4 11 26 4 3 1 0 2 2 1 1 4 20 25 4 2 1 0 0 2 2 4 3 21 32 18 30 15 9 4 46 100 12 4 4 8 4 3 2 10 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 4 12 5 1 9 5 14 17 16 17 15 8 3 5 2 2 2 2 1 1 1 1 1 1 1 4 1 3 4 7 11 18 79 90 14 6 3 1 2 2 0 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 87 86 s 1H | 82 82 d 1H J 35 | 76 76 d 1H J 23 | 75 74 m 2H | 69 69 m 2H | 67 66 d 1H J 22 | 40 40 s 3H | 39 38 s 3H | 33 33 m 4H | 28 28 m 4H | 25 25 p 1H J 57 | 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. |
N#CNC1NN=C(c2ccc3ccccc3c2)S1 | ir: 1 3 3 4 7 14 14 11 23 12 24 35 5 5 4 4 2 2 3 1 1 2 2 2 1 4 1 1 2 3 3 1 1 1 3 3 3 8 5 8 7 2 11 3 2 1 2 2 2 3 2 5 10 11 19 2 3 3 2 2 7 4 3 2 2 1 2 1 3 2 5 6 2 4 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 8 3 13 4 11 7 2 6 6 4 6 20 4 2 1 1 4 2 1 1 1 1 1 2 5 5 20 17 14 30 5 2 1 1 1 1 1 1 8 3 1 2 2 5 27 4 9 8 5 100 26 11 9 1 1 1 1 2 2 1 5 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 11 45 21 7 4 0 1 2 1 0 1 2 0 0 1 2 1 0 2 4 3 29 78 2 15 69 30 14 8 10 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 72 | 80 79 dq 3H J 19 87 | 79 78 dd 1H J 15 72 | 76 75 m 2H | 61 61 d 1H J 29 | 57 57 t 1H J 28 | 52 52 d 1H J 29 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc(C(C#N)Nc2cncc(Br)c2)c1 | ir: 2 2 4 9 14 19 30 41 64 26 11 21 8 7 19 28 24 62 38 10 7 7 17 21 7 2 3 7 14 18 8 10 36 43 23 8 4 0 2 4 3 2 6 6 4 2 11 20 6 1 3 4 5 0 5 5 9 6 2 3 3 1 4 8 19 11 11 7 14 7 7 8 8 3 2 4 5 14 13 27 7 3 3 6 2 1 3 5 16 20 8 3 2 2 5 4 6 4 4 3 6 3 2 2 4 13 27 3 3 4 7 26 28 27 16 10 7 6 10 4 11 20 9 6 9 9 9 14 9 13 7 3 1 4 6 8 6 8 11 73 77 89 74 10 3 7 4 2 3 6 15 6 14 5 8 5 7 7 2 1 5 9 5 2 2 3 1 1 1 2 2 0 1 2 2 1 2 2 2 1 7 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 3 1 2 3 2 2 2 3 3 1 2 4 2 3 2 6 5 3 4 8 12 5 32 58 49 13 8 6 7 5 5 5 5 3 5 6 2 1 2 3 1 3 5 7 4 7 57 63 100 90 21 6 5 3 3 3 3 2 2 2 2 4 5 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 t 1H J 17 | 81 81 t 1H J 16 | 75 74 m 2H | 74 73 t 1H J 22 | 73 73 t 1H J 77 | 71 71 m 1H | 61 61 dd 1H J 8 81 | 59 59 d 1H J 80 | 23 23 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1cnc2c1c(=O)n(CCCCC(O)CO)c(=O)n2C | ir: 8 9 10 7 13 4 7 5 3 4 6 5 1 3 4 5 1 3 6 3 1 4 4 4 4 8 5 2 1 3 3 1 3 4 4 4 3 10 5 3 10 13 7 20 29 17 4 5 4 7 3 9 7 8 4 2 2 5 3 1 5 8 3 7 5 6 5 2 5 6 3 6 4 12 4 1 3 4 3 2 7 4 5 12 10 23 15 35 31 14 20 11 11 41 9 8 9 11 21 10 7 7 7 9 11 15 13 6 23 38 11 8 11 14 7 18 29 11 9 23 33 40 9 10 16 20 17 11 12 5 3 10 4 4 1 5 6 3 1 3 3 2 2 3 5 6 17 24 7 4 23 72 5 1 1 3 3 0 1 3 2 1 1 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 0 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 0 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 3 3 1 1 2 3 1 2 2 2 2 1 2 2 1 1 3 2 1 2 3 3 2 2 6 6 4 13 21 20 21 18 7 16 11 14 22 16 14 45 21 13 15 20 100 10 6 8 11 16 25 23 10 5 4 4 4 3 1 4 3 2 2 4 3 3 2 3 2 2 2 3 3 2 2 3 3 1 1 3 2 1 1 3 2 1 1 2 2 0 1 3 2 1 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 d 1H J 9 | 40 40 d 3H J 7 | 38 38 ddd 1H J 49 59 117 | 38 37 t 2H J 63 | 37 36 tdt 1H J 50 58 68 | 36 35 ddd 1H J 49 58 119 | 35 34 s 2H | 28 27 t 1H J 59 | 27 27 d 1H J 59 | 18 13 m 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCC1CC2(CC(CCCC)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 | ir: 3 1 0 3 4 2 2 3 3 1 10 5 3 2 2 4 3 2 1 2 16 7 7 5 10 7 2 3 3 2 7 5 7 15 34 12 9 18 15 13 23 19 77 20 3 3 2 3 3 2 3 4 2 0 1 3 2 1 2 3 2 0 1 3 1 0 2 10 3 20 4 4 5 3 3 5 3 10 5 2 3 1 2 10 4 2 6 5 1 0 2 2 1 3 3 3 1 2 4 5 1 2 5 9 33 10 10 5 11 4 4 5 2 4 10 3 5 5 9 6 4 4 8 5 2 4 4 3 5 5 9 6 1 4 9 8 2 3 4 1 1 5 10 24 100 11 4 8 22 60 14 22 29 6 3 1 1 2 2 1 11 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 3 2 2 4 5 4 3 2 7 3 3 4 9 21 17 40 59 26 16 13 9 4 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 73 m 8H | 73 72 m 2H | 41 40 p 2H J 62 | 25 24 dd 2H J 63 125 | 22 22 dd 2H J 63 125 | 19 18 dtd 2H J 63 74 126 | 17 16 dtd 2H J 63 75 126 | 15 12 m 9H | 9 8 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C(=O)N(c1ccc2c(c1)OCO2)C1CCCCC1)c1ncc(SCC(=O)O)s1 | ir: 33 15 12 15 6 4 4 6 8 7 3 5 12 12 8 16 6 6 4 3 7 5 15 17 7 14 15 7 8 9 6 5 3 5 4 7 14 15 7 8 8 3 6 6 7 12 3 5 17 18 19 45 12 11 43 30 16 39 16 10 4 5 4 4 6 71 22 15 22 55 30 34 5 4 7 9 12 9 6 2 1 3 8 9 18 36 11 5 7 45 9 9 2 8 21 23 12 5 5 10 5 4 7 13 2 7 4 12 27 11 13 27 41 50 40 13 10 13 19 16 12 27 13 18 63 66 10 16 17 9 8 9 9 11 4 4 8 6 2 2 4 4 11 30 22 33 3 2 2 0 62 4 9 4 4 1 2 2 2 1 1 1 52 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 2 2 2 2 2 2 3 6 8 9 13 9 31 32 7 10 8 17 9 15 24 95 61 17 40 100 68 25 3 3 3 4 8 3 1 2 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 s 1H | 71 71 dd 1H J 21 85 | 69 69 d 1H J 22 | 68 67 d 1H J 85 | 60 59 s 2H | 39 38 p 1H J 63 | 39 38 s 2H | 35 34 s 2H | 20 19 m 2H | 18 16 m 4H | 16 14 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)cc3)c2cc1OC | ir: 2 2 3 3 6 5 7 4 2 3 5 6 5 4 2 2 1 5 10 5 9 31 5 6 10 7 6 4 8 5 5 12 6 9 5 11 9 22 8 4 17 17 4 5 5 3 2 3 4 11 33 14 8 25 47 23 67 100 82 73 15 5 5 3 4 3 4 12 16 13 3 3 3 4 2 2 3 1 1 1 2 2 4 15 4 4 3 3 7 2 3 2 2 2 2 2 2 3 12 13 7 18 3 5 33 6 5 2 5 15 2 2 2 7 3 2 2 6 1 3 3 4 4 5 5 5 7 5 3 4 2 2 3 2 3 18 2 2 1 2 3 12 47 50 43 8 12 83 18 7 41 68 56 52 38 52 43 17 5 0 8 7 5 3 2 5 6 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 2 3 3 6 4 12 32 86 63 23 10 5 6 5 3 1 3 3 2 1 2 4 3 2 4 4 3 7 7 10 32 17 55 59 18 28 15 3 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; 1HNMR: 85 85 s 1H | 76 76 m 3H | 76 75 m 4H | 74 74 dd 1H J 20 86 | 73 73 m 3H | 73 72 s 1H | 39 39 s 3H | 39 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=C1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 | ir: 2 2 2 3 2 1 7 4 1 2 3 2 4 3 5 2 4 2 2 2 5 4 2 2 3 1 2 4 2 4 19 11 8 5 4 2 7 5 7 90 100 0 5 8 5 4 2 12 11 5 2 2 1 4 3 3 1 1 2 6 4 3 13 21 8 2 7 47 25 14 10 19 11 8 6 30 5 17 10 87 23 3 4 11 11 24 4 16 2 55 6 11 17 26 8 1 12 29 0 11 31 19 16 19 5 5 3 3 2 3 2 2 0 7 1 3 2 9 3 4 1 4 10 4 6 4 4 2 4 11 22 17 12 7 3 72 7 1 1 4 3 2 14 77 23 8 4 1 2 1 1 16 4 2 2 3 2 23 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 3 4 5 7 4 4 0 42 13 12 7 16 21 38 69 32 13 4 12 76 13 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1; 1HNMR: 73 72 m 5H | 50 49 tt 1H J 10 18 | 48 48 tt 1H J 11 20 | 36 35 m 2H | 30 30 m 1H | 28 27 m 2H | 26 25 dd 1H J 35 113 | 24 23 dddp 1H J 9 19 28 46 | 24 23 m 1H | 22 21 dddt 1H J 10 58 77 127 | 18 17 qt 1H J 23 47 | 18 17 dtt 1H J 20 57 126 | 16 15 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=S(=O)(Cc1cc(Cl)sc1Cl)Nc1nnc(Cl)cc1O | ir: 2 2 1 2 5 10 5 2 2 2 3 2 2 2 2 5 3 4 7 4 5 2 2 6 8 5 4 5 7 4 13 12 4 10 3 8 8 15 4 5 4 7 6 6 12 6 30 4 3 2 2 2 5 5 9 4 2 3 4 2 2 1 1 2 2 1 2 6 3 22 22 6 7 11 14 4 2 2 1 1 2 4 2 2 3 14 47 8 10 26 4 7 5 4 3 2 2 2 4 9 1 8 14 17 31 20 15 6 3 10 10 4 8 8 2 2 9 4 2 1 1 1 2 1 1 2 2 5 2 2 4 30 23 5 2 1 1 2 2 1 1 2 7 48 4 2 1 1 1 5 1 1 2 6 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 2 2 0 16 6 10 10 5 10 78 32 18 3 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 5 29 100 9 0 0 3 3 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 88 88 s 1H | 72 71 s 1H | 68 67 t 1H J 9 | 46 45 d 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCc1cc(CCC(=O)OC)cn1Cc1ccc(-c2ccccc2C#N)cc1 | ir: 2 2 5 2 5 3 1 1 1 1 1 3 0 3 2 5 0 2 2 3 4 3 1 1 4 4 2 1 1 4 1 1 1 1 3 2 1 4 2 1 30 18 4 5 14 0 2 1 3 1 1 4 2 1 1 3 7 51 3 1 2 2 4 2 6 5 4 8 21 6 3 2 5 4 11 3 2 1 0 1 1 1 1 1 1 1 1 2 17 7 5 4 1 3 4 30 5 2 8 3 3 2 1 1 1 1 0 1 6 7 2 2 2 3 3 4 3 5 3 5 3 4 5 4 6 2 1 5 4 6 3 1 3 1 1 2 15 6 7 16 2 2 2 9 54 8 8 23 3 6 1 0 3 3 2 1 1 20 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 5 3 1 2 2 3 1 2 6 8 4 31 100 29 8 13 5 7 6 2 2 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 ddd 2H J 14 69 88 | 76 75 m 3H | 75 75 ddd 1H J 14 63 74 | 72 71 dt 2H J 9 73 | 61 61 dp 1H J 9 18 | 60 60 dp 1H J 9 16 | 52 52 q 2H J 9 | 37 36 s 2H | 28 26 m 6H | 16 15 tt 2H J 62 71 | 14 13 qt 2H J 60 71 | 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. |
CCc1cc(-c2nc(CC(=O)O)cs2)ccn1 | ir: 24 12 11 5 10 5 1 5 5 3 1 5 17 7 10 7 5 4 2 4 3 2 2 5 4 2 2 6 5 2 2 5 10 2 2 6 4 2 2 5 4 4 2 5 7 9 8 7 6 17 7 4 4 3 4 11 8 3 5 9 3 3 22 16 7 0 2 4 4 9 27 43 21 15 10 18 6 8 4 5 7 10 14 11 14 13 33 9 6 18 11 18 18 16 7 6 1 6 7 14 5 12 8 9 12 9 55 45 23 12 6 13 15 17 30 16 22 16 15 27 20 8 9 20 10 24 18 10 5 8 4 2 3 3 14 15 31 24 35 12 12 11 10 21 53 51 15 4 2 7 4 1 6 8 3 0 1 3 2 0 1 3 3 11 5 4 2 1 2 4 7 3 2 3 1 0 1 3 1 0 6 27 11 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 2 3 2 1 1 2 2 1 1 3 2 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 3 1 1 2 3 2 2 4 3 2 2 3 3 2 1 3 2 1 2 4 5 6 7 10 10 9 10 12 11 5 7 6 7 7 31 45 59 51 54 56 66 62 23 13 5 2 33 65 100 36 5 3 2 3 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 d 1H J 45 | 76 76 dd 1H J 22 46 | 76 75 dd 1H J 10 21 | 73 73 t 1H J 9 | 35 35 d 2H J 7 | 29 28 qd 2H J 8 71 | 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. |
Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(Br)ccc12 | ir: 2 10 1 2 4 2 1 2 5 2 6 3 7 14 4 100 2 7 35 4 3 2 2 2 2 2 2 11 3 2 4 3 3 2 6 7 34 12 4 2 3 6 3 3 13 0 98 19 9 4 6 32 17 22 22 6 2 2 5 8 3 2 3 5 3 2 26 11 6 8 3 3 4 12 3 4 8 3 2 3 3 6 3 3 21 2 2 5 15 9 6 17 2 3 2 2 7 9 13 6 4 3 9 2 3 3 6 10 3 2 3 3 3 3 8 8 5 4 10 4 4 2 2 5 6 4 8 12 13 28 64 34 33 6 6 2 5 6 14 22 40 12 5 2 29 3 5 3 2 2 2 7 9 6 7 21 7 4 2 3 2 0 11 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 4 4 4 4 3 7 3 5 4 4 7 15 20 36 63 62 10 15 20 7 4 3 3 2 2 3 4 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: 80 79 d 1H J 83 | 79 78 d 1H J 22 | 75 74 dd 1H J 20 82 | 74 73 ddt 1H J 8 17 64 | 73 72 m 2H | 55 55 d 2H J 9 | 26 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCC(Cc1ccccc1)C(O)c1ccc(Br)cc1F | ir: 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 2 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 0 0 1 0 1 3 1 6 1 0 0 0 1 2 1 1 0 1 0 0 1 4 1 0 0 0 0 0 0 0 0 0 2 3 1 2 0 0 0 0 0 0 1 1 1 1 1 4 1 0 1 2 4 2 8 9 6 3 2 1 3 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 0 6 0 0 0 0 0 0 2 1 1 1 0 0 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 0 1 1 0 0 1 1 1 0 1 1 2 3 2 3 4 0 1 3 2 9 19 100 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 20 121 | 74 72 m 7H | 50 49 m 1H | 38 37 dt 1H J 55 112 | 36 36 d 1H J 46 | 36 35 dt 1H J 55 114 | 31 30 t 1H J 52 | 29 29 ddt 1H J 9 80 136 | 27 26 ddt 1H J 9 81 134 | 24 23 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1CCCC(CC)C1N | ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 7 4 2 1 7 6 2 3 5 4 1 2 1 2 1 1 1 2 1 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 4 3 2 2 2 1 2 1 1 1 1 1 5 11 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 0 1 1 1 0 1 2 2 3 3 3 3 2 2 2 1 0 4 57 100 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 28 27 tt 1H J 44 75 | 17 17 d 2H J 45 | 16 13 m 7H | 14 12 m 5H | 9 8 td 6H J 16 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(C)(C)N=C=Nc1cccnc1 | ir: 2 4 12 14 9 6 7 4 6 6 9 5 5 4 3 4 2 4 3 3 4 3 3 4 2 3 9 8 5 9 19 21 41 62 12 6 10 11 10 9 9 32 22 21 35 18 16 10 33 8 12 29 25 18 28 13 7 26 7 5 8 9 20 39 41 16 21 16 16 28 32 8 9 4 4 3 13 16 12 8 13 16 4 5 3 2 3 3 3 5 4 4 4 5 19 8 6 5 7 3 5 4 6 2 3 3 3 3 3 4 9 23 31 8 4 8 8 14 10 20 17 19 100 20 13 7 8 7 15 9 11 13 10 5 7 3 3 6 9 47 10 4 2 3 3 2 2 3 3 5 4 14 8 21 6 4 2 2 20 21 4 3 3 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 3 2 1 3 3 1 0 20 2 6 5 1 1 3 3 1 1 3 2 1 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 4 9 7 7 4 3 3 4 4 6 5 5 7 6 8 19 37 52 40 6 42 17 9 5 5 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 84 83 ddd 1H J 14 21 36 | 81 80 t 1H J 17 | 72 71 dd 1H J 37 75 | 71 71 dt 1H J 20 75 | 16 15 q 2H J 77 | 12 11 s 5H | 9 9 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C(=NNC(=O)OC(C)(C)C)c2ccc(Br)cc2F)n(C)n1 | ir: 2 7 12 6 8 4 7 4 10 8 24 2 0 3 2 5 5 4 7 5 2 2 3 2 15 11 6 6 9 38 36 15 37 17 12 10 11 5 4 26 23 7 3 2 1 2 1 1 1 1 1 2 6 12 29 27 6 2 3 2 2 4 8 4 3 2 1 8 2 1 1 1 1 2 5 11 16 5 2 1 1 1 2 3 33 4 2 2 2 3 6 5 5 21 1 2 7 3 6 6 4 16 1 2 2 1 2 1 1 2 6 7 4 3 0 1 7 3 3 6 8 4 6 5 7 15 6 6 4 6 19 17 42 3 1 1 1 3 4 3 32 9 2 24 23 55 5 8 18 15 13 15 64 11 6 2 2 2 2 15 2 24 2 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 3 3 1 1 1 1 2 2 5 7 3 4 12 14 5 34 35 32 32 11 2 2 3 1 0 1 1 1 0 1 1 0 0 4 3 0 4 8 5 2 5 100 6 8 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 87 s 1H | 75 74 m 4H | 62 61 s 1H | 41 40 s 3H | 23 22 s 3H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1Nc2cccnc2N(CCCCCCCN2CCCCC2)c2ccccc21 | ir: 10 2 1 1 1 1 1 1 3 1 2 2 3 2 1 1 1 1 3 2 4 8 9 4 1 5 6 1 0 2 11 3 1 6 11 3 2 24 16 25 13 35 26 34 23 16 8 3 1 5 2 1 3 2 7 1 3 5 2 1 3 3 15 5 1 2 1 1 5 4 1 1 3 7 3 2 18 1 1 6 50 5 4 4 3 10 11 4 1 1 1 2 1 1 3 5 4 3 6 7 4 3 5 9 16 16 3 2 3 13 9 3 2 4 6 8 8 2 4 4 3 5 2 2 1 2 2 2 42 42 4 2 3 3 8 14 7 8 9 50 12 3 2 6 4 2 22 9 74 3 0 3 7 100 11 30 49 2 2 2 39 7 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 4 4 1 3 2 1 1 3 3 3 18 7 12 24 32 24 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 6 3 24 99 19 3 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 83 82 dd 1H J 20 44 | 80 79 dd 1H J 16 83 | 78 78 dd 1H J 22 82 | 75 75 ddd 1H J 16 72 81 | 74 73 td 1H J 14 82 | 73 72 dd 1H J 15 72 | 69 69 dd 1H J 45 83 | 40 39 t 2H J 69 | 25 24 m 4H | 24 23 t 2H J 61 | 18 18 p 2H J 67 | 16 16 m 4H | 15 14 m 4H | 14 14 m 2H | 14 12 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1C(=O)C2CC3=Nc4cc(Cl)ccc4OCN3CC2C1=O | ir: 9 7 7 14 8 5 2 4 4 6 3 2 2 2 2 2 6 4 2 2 2 1 1 3 6 5 3 3 5 4 2 3 7 7 2 6 9 5 9 3 7 4 12 8 3 3 2 2 2 2 2 4 2 1 9 3 3 3 2 3 3 5 6 1 4 8 12 13 13 2 4 3 2 1 2 3 3 15 7 5 2 3 4 6 4 6 2 2 2 5 4 2 2 3 4 3 2 3 4 3 2 5 4 2 1 2 4 3 2 2 3 2 2 2 2 3 8 20 16 13 7 6 12 7 8 15 8 8 5 3 4 3 2 7 13 19 3 2 2 1 1 2 3 9 4 3 7 18 100 5 1 8 12 19 7 0 1 4 2 1 2 15 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 5 4 2 4 6 6 4 4 4 6 18 31 10 7 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 dd 1H J 19 83 | 72 72 d 1H J 20 | 69 68 d 1H J 84 | 55 54 m 2H | 37 37 m 1H | 35 34 m 1H | 35 34 s 2H | 31 30 m 1H | 31 31 s 3H | 29 28 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(OCc1ccccc1)C(OCc1ccccc1)OCc1ccccc1 | ir: 2 2 1 2 2 2 1 6 8 8 2 2 4 3 5 2 1 1 1 1 2 3 2 1 2 3 3 5 8 7 10 12 5 4 1 3 3 7 10 42 43 30 4 3 3 3 2 1 1 3 2 1 1 1 1 1 1 2 1 0 2 2 5 4 3 4 7 9 16 10 3 3 2 1 4 10 10 5 8 3 8 14 3 2 1 1 1 2 7 17 2 2 1 2 1 1 3 10 6 2 3 9 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 4 4 2 3 3 1 2 3 3 3 2 1 4 2 10 100 11 4 2 2 2 3 24 56 9 11 7 1 1 2 4 9 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 0 2 8 25 7 26 71 31 20 4 2 2 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 3H | 74 73 s 3H | 74 73 m 10H | 52 52 s 2H | 51 51 s 1H | 47 46 dt 2H J 8 120 | 46 45 dt 2H J 8 120 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(-c2ccc(Br)c(C)c2)o1 | ir: 5 4 7 5 1 4 5 3 3 5 4 3 2 3 5 5 2 7 8 3 3 5 3 1 1 3 2 1 1 2 2 2 2 3 2 5 1 3 2 1 1 2 1 1 1 2 1 1 1 3 2 2 22 16 5 28 17 4 2 0 2 3 2 5 3 4 4 2 5 4 4 3 4 4 3 2 2 3 4 2 2 2 1 2 7 11 9 17 8 7 3 3 5 4 3 5 3 3 2 2 9 8 6 8 6 3 1 1 2 1 0 5 5 13 5 3 5 2 1 3 3 2 1 4 14 3 6 9 4 3 4 12 20 19 14 6 4 5 5 11 8 4 6 6 2 1 2 4 11 11 3 3 6 2 5 7 3 1 1 2 2 5 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 2 2 3 2 2 1 2 2 1 2 5 2 3 3 11 15 16 32 25 68 100 28 42 12 7 5 3 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 76 76 dd 1H J 21 83 | 74 74 m 2H | 68 68 d 1H J 53 | 63 63 m 1H | 24 24 s 3H | 24 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC(CC(=O)OC(C)(C)C)C(=S)OC | ir: 8 11 7 7 4 6 2 7 9 35 53 12 3 4 3 8 9 2 2 1 1 2 9 43 6 2 1 3 22 6 2 2 8 5 2 1 3 3 20 1 1 2 3 11 2 2 2 1 2 4 3 5 1 2 1 4 2 6 1 1 1 8 6 8 5 19 14 11 17 3 2 1 15 3 4 3 3 1 1 1 1 1 1 1 1 1 0 1 2 2 2 4 8 9 4 3 4 7 15 3 5 4 7 6 18 32 20 33 44 56 28 13 7 13 6 10 13 36 68 78 50 28 25 7 6 3 15 14 17 12 34 26 5 7 3 3 7 3 2 2 3 3 8 9 31 62 100 14 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 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 2 2 2 4 6 9 6 8 7 14 11 11 7 11 5 17 19 22 60 64 37 8 2 2 3 4 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 40 39 s 3H | 31 30 p 1H J 72 | 29 29 dd 1H J 70 165 | 27 26 dd 1H J 70 165 | 20 19 dq 1H J 70 141 | 18 17 dq 1H J 70 140 | 16 14 m 1H | 14 14 s 8H | 14 13 m 1H | 9 9 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccccc1-c1ccnc(C#N)c1 | ir: 0 2 3 2 4 8 4 2 0 2 2 2 3 3 14 3 8 7 4 1 0 2 3 1 0 2 3 1 1 4 2 3 8 4 7 6 1 8 2 1 2 6 39 4 3 3 5 1 2 3 3 0 1 3 2 0 1 3 1 1 2 3 2 1 3 2 4 5 23 12 3 1 3 8 8 4 4 2 1 1 3 4 5 3 3 3 1 1 3 6 4 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 0 3 6 2 1 1 3 1 1 3 3 3 1 2 5 7 2 2 3 1 1 2 3 2 0 2 2 1 2 11 3 3 5 1 27 18 2 4 4 7 20 15 4 3 2 4 3 2 4 3 4 3 1 3 6 37 6 2 2 1 2 2 1 1 1 3 1 0 1 3 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 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 2 2 3 2 2 5 6 10 100 25 15 5 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2; 1HNMR: 86 86 d 1H J 46 | 77 77 dd 1H J 13 76 | 77 77 d 1H J 22 | 76 76 dd 1H J 22 46 | 73 73 td 1H J 14 75 | 73 72 td 1H J 14 75 | 72 72 ddd 1H J 8 15 75 | 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. |
COc1c(SCc2ccco2)ccnc1CO | ir: 54 73 33 30 35 16 9 4 4 4 5 4 7 6 12 11 28 8 5 12 26 22 4 5 3 3 3 2 3 3 3 2 3 2 6 6 18 18 17 22 9 5 6 4 18 5 8 3 4 2 3 5 4 6 12 3 4 2 2 2 2 1 3 15 2 5 5 11 19 3 3 3 3 9 6 4 1 4 4 3 2 5 14 12 26 17 13 100 75 24 24 35 4 19 6 4 3 3 4 4 1 1 2 2 0 1 2 1 0 1 2 2 3 6 7 10 4 7 10 2 14 8 4 4 4 6 18 6 7 13 2 1 1 1 2 1 1 2 3 1 22 28 3 3 1 2 2 6 18 78 7 14 3 4 2 2 14 4 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 3 3 2 2 2 4 4 4 6 10 4 6 29 10 49 28 2 11 6 7 62 23 1 2 2 1 0 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 46 | 75 75 t 1H J 16 | 70 70 d 1H J 44 | 64 64 ddt 1H J 9 18 46 | 63 63 dd 1H J 16 44 | 48 48 d 2H J 59 | 44 44 d 2H J 7 | 39 39 s 2H | 35 35 t 1H J 58 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C/C(=C\C(=O)N(C)C#N)c1cccc(Br)c1 | ir: 1 2 3 2 1 2 3 1 1 2 2 1 0 3 4 2 1 3 5 2 2 2 4 4 4 5 4 2 1 3 3 8 7 3 4 2 3 4 3 12 5 4 3 0 2 6 20 20 6 2 2 1 2 2 2 1 1 2 1 1 2 3 3 1 2 3 6 8 7 3 4 2 4 13 19 5 4 4 5 4 2 3 1 1 2 3 2 3 2 2 1 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 2 2 1 2 3 5 2 4 3 3 10 7 9 3 3 2 3 2 1 3 2 4 3 3 4 1 3 11 21 2 1 3 2 1 1 4 4 100 2 26 2 7 2 3 4 2 6 3 2 1 3 22 3 3 1 2 2 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 20 4 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 1 2 3 2 2 2 2 3 5 11 15 9 26 21 8 4 1 2 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 2H | 75 75 m 1H | 73 73 m 1H | 61 60 q 1H J 14 | 32 32 s 2H | 24 24 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCC1(CO)CCNCC1 | ir: 4 3 2 2 3 2 2 1 5 5 1 5 1 1 1 1 2 2 1 1 1 1 2 2 12 2 0 1 1 1 2 1 1 1 1 1 1 18 2 1 1 1 1 1 2 2 9 3 3 4 8 27 85 5 9 4 11 5 3 4 1 2 4 5 2 11 17 16 9 10 27 4 1 2 2 3 2 3 6 11 1 4 3 5 6 7 12 13 100 22 22 54 8 6 6 3 2 2 2 3 0 1 2 2 1 3 2 5 0 22 76 20 1 4 6 5 7 12 17 9 4 3 3 1 1 3 4 9 7 30 13 2 1 4 4 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 2 1 1 1 1 1 1 3 2 1 4 6 5 2 3 3 4 2 2 5 8 5 3 1 2 3 2 2 3 3 6 56 5 2 2 3 2 2 3 5 4 2 20 49 12 6 2 2 2 1 2 1 1 1 1 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 0 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: 39 38 p 1H J 36 | 36 36 d 2H J 57 | 35 34 s 2H | 33 33 s 2H | 30 29 dddd 2H J 24 37 51 137 | 29 28 t 1H J 58 | 28 27 dddd 2H J 22 37 49 135 | 17 17 ddd 2H J 24 50 139 | 15 14 ddd 2H J 24 50 139 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C1CC2CC(=O)C(=CO)C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 | ir: 0 2 10 27 7 7 6 4 6 13 8 7 84 11 6 3 7 6 11 4 6 5 26 22 9 6 9 12 8 5 5 3 40 7 19 8 2 5 2 2 1 2 4 4 2 3 3 1 3 4 3 3 8 79 82 17 3 4 6 3 5 22 6 5 7 5 13 5 5 10 4 3 3 13 23 18 11 5 5 75 8 43 27 79 24 22 6 35 11 5 1 14 61 5 5 9 9 9 27 85 31 39 31 11 6 13 2 4 8 6 7 4 5 4 7 8 3 4 4 9 9 29 8 47 21 29 19 4 2 6 7 6 5 6 3 2 2 4 3 2 2 3 5 7 39 27 20 60 100 11 3 3 3 2 1 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 3 4 4 5 5 6 4 4 9 7 14 16 7 15 26 27 4 8 5 2 2 2 23 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 18 48 | 77 76 m 2H | 75 75 m 2H | 47 47 td 1H J 17 77 | 42 41 p 2H J 64 | 37 36 p 1H J 80 | 29 28 m 2H | 26 25 dd 1H J 79 134 | 25 24 ddt 2H J 78 115 348 | 22 21 ddt 2H J 78 121 277 | 13 12 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCSP(=O)(SCCC)C(Cl)(Cl)Cl | ir: 5 5 6 8 5 5 8 6 5 5 5 6 10 19 34 10 7 6 10 27 92 14 6 5 5 5 5 5 5 6 6 5 10 6 6 5 5 5 7 11 16 14 9 7 6 5 6 7 6 9 7 7 8 6 11 11 10 7 5 5 5 5 6 6 6 23 14 6 5 4 6 9 4 4 6 8 0 100 5 4 6 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 7 9 7 18 10 7 6 6 6 7 6 7 7 11 11 17 11 11 16 16 7 5 6 6 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 8 9 5 7 11 9 7 7 6 6 7 8 7 8 25 19 10 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 29 29 t 4H J 54 | 17 16 qt 4H J 54 66 | 10 9 t 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCCCN1CCCC(COc2ccccc2)C1 | ir: 10 5 1 2 2 1 4 3 4 2 1 2 2 1 1 2 1 1 1 2 3 3 2 1 2 1 3 2 4 12 4 3 2 1 2 2 5 3 4 12 92 26 14 8 9 4 8 10 6 2 10 16 28 5 11 16 10 17 27 19 9 9 4 4 12 10 8 14 16 16 12 9 9 13 17 31 35 16 12 9 5 26 55 23 6 7 5 37 13 10 1 4 3 4 3 2 2 2 5 3 7 9 7 5 2 5 5 5 9 7 2 6 8 10 7 2 1 2 3 4 4 8 6 6 6 4 5 6 8 10 3 21 23 100 34 41 7 7 6 6 3 6 5 17 16 4 2 2 2 2 2 3 4 3 1 1 1 1 1 7 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 2 1 3 2 2 3 2 2 3 4 3 4 7 3 7 20 10 1 3 2 2 1 2 1 3 3 6 6 12 20 24 18 3 5 2 4 13 59 74 22 5 1 5 2 0 1 2 3 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 2H | 70 70 tt 1H J 14 75 | 69 69 m 2H | 43 42 dd 1H J 56 116 | 41 40 dd 1H J 56 116 | 30 29 dd 1H J 51 114 | 28 27 tt 2H J 57 65 | 27 26 m 2H | 26 24 m 3H | 23 22 tp 1H J 54 69 | 18 15 m 5H | 14 13 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2nccc(NC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c2n1 | ir: 2 2 5 3 1 2 3 3 1 3 3 2 1 3 3 1 1 1 2 2 2 2 8 31 8 3 12 18 33 6 6 2 2 3 7 2 3 5 5 2 3 8 20 10 7 27 25 10 6 3 2 6 14 4 2 2 7 26 3 2 1 3 2 1 6 3 1 1 2 2 1 2 6 17 12 2 1 1 1 5 4 2 1 1 1 1 1 1 13 2 1 1 1 1 2 3 13 5 3 3 3 2 1 3 6 3 2 6 26 7 9 6 4 19 3 4 2 3 2 6 2 5 4 5 1 1 1 3 4 4 10 3 2 2 3 10 3 3 3 6 13 54 17 5 6 22 22 8 19 100 51 16 41 5 7 10 3 2 1 2 15 4 6 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 2 1 2 1 1 2 1 2 2 3 1 3 17 8 7 11 15 35 5 3 1 1 1 1 1 1 1 0 0 1 1 1 1 1 2 2 4 2 5 20 46 35 21 14 6 3 3 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 s 1H | 86 86 d 1H J 48 | 81 81 d 1H J 81 | 76 75 d 1H J 48 | 70 70 d 1H J 81 | 45 45 d 1H J 71 | 40 39 s 3H | 38 36 m 3H | 34 33 ddd 2H J 58 85 137 | 21 20 dddd 2H J 46 59 86 132 | 19 18 dddd 2H J 46 59 86 132 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)C=C(OS(=O)(=O)C(F)(F)F)CC1(C)C | ir: 6 5 4 2 3 4 11 7 6 15 10 6 8 3 2 3 3 2 0 2 2 1 1 3 3 2 15 5 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 2 3 2 4 3 1 1 2 3 7 2 4 4 3 2 3 2 1 4 6 6 5 3 4 3 7 12 43 7 2 2 2 1 1 2 2 1 1 2 4 8 100 28 7 0 1 4 3 0 1 3 2 3 8 7 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 3 1 3 5 1 1 2 4 4 2 6 4 3 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 1 3 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 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 1 2 3 2 1 1 2 2 1 1 2 2 2 2 14 5 5 6 4 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 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 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 56 56 dt 1H J 9 19 | 25 25 d 2H J 9 | 12 11 d 6H J 9 | 11 10 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCNC(=O)C(CCO)N1CCCC1=O | ir: 19 16 0 14 15 9 11 13 13 8 10 31 42 25 21 15 18 14 18 44 68 48 43 30 24 26 19 18 20 10 12 13 23 15 9 74 65 91 39 24 37 18 43 36 21 26 24 17 60 5 17 14 11 3 9 20 18 4 16 12 11 2 8 13 11 8 13 13 5 2 10 11 6 14 10 10 6 5 11 11 5 4 10 10 8 7 9 10 24 10 17 25 41 6 15 17 15 54 78 90 30 17 13 8 5 7 17 16 11 43 17 15 4 11 15 18 7 13 15 14 20 27 33 13 11 15 15 9 9 10 11 8 6 21 32 36 9 10 9 5 5 9 18 8 15 20 56 63 30 100 8 13 8 9 8 4 5 8 6 3 5 8 6 3 5 9 6 2 6 9 6 1 6 9 5 2 6 9 5 2 6 9 5 3 6 9 5 3 7 8 4 3 7 8 4 3 7 8 4 4 7 7 3 4 8 7 3 4 8 7 3 4 8 7 3 5 8 7 3 5 9 6 2 5 9 6 3 5 10 6 3 6 9 6 3 6 9 5 3 7 9 6 4 7 8 5 3 7 8 4 4 7 8 4 4 7 8 4 4 8 7 4 4 8 7 4 4 8 7 4 5 9 8 6 12 21 21 7 9 12 10 7 8 23 38 11 7 11 9 9 28 26 39 15 12 10 7 3 7 9 5 3 7 9 5 4 9 13 10 62 23 63 22 18 17 15 5 4 10 7 4 5 8 7 3 5 8 6 3 5 8 6 3 5 8 6 2 5 9 6 3 5 9 5 3 6 8 5 3 6 8 5 3 6 8 5 3 7 8 5 3 6 8 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 5 3; 1HNMR: 70 69 t 1H J 51 | 46 45 t 1H J 79 | 38 37 dq 1H J 61 121 | 37 35 m 2H | 35 34 ddd 1H J 42 51 121 | 32 31 m 2H | 30 29 t 1H J 60 | 25 23 m 2H | 22 21 ddt 1H J 62 77 139 | 20 18 m 3H | 16 15 p 2H J 61 | 14 13 h 2H J 66 | 10 9 t 3H J 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Nc1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 | ir: 6 3 0 6 9 5 4 5 6 5 4 4 10 6 3 9 7 4 2 3 4 3 3 4 4 3 4 4 3 2 1 3 4 1 3 4 3 1 1 3 2 1 1 4 4 2 4 4 2 2 2 3 4 1 5 5 35 51 11 6 2 0 2 4 5 20 12 11 4 7 4 4 2 2 2 3 2 2 3 3 2 3 14 8 1 2 5 6 10 10 17 19 30 9 8 4 1 11 11 22 38 26 8 3 1 6 50 44 8 6 14 4 1 3 4 4 2 4 4 2 4 5 5 4 10 6 4 7 3 5 5 7 22 17 6 3 2 2 2 1 1 2 3 2 1 4 5 5 20 18 5 16 16 10 5 2 2 3 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 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 2 2 1 2 2 1 1 2 2 1 2 3 2 4 4 4 2 1 2 3 3 2 4 3 3 4 3 7 9 8 11 54 22 20 4 5 4 3 2 4 2 3 100 69 8 3 2 2 2 1 2 4 3 7 6 15 13 13 8 3 3 2 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 79 78 d 1H J 57 | 77 77 m 3H | 74 73 m 3H | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO | ir: 9 5 3 3 4 3 2 3 2 3 5 5 4 4 4 6 3 4 3 5 3 2 3 2 5 2 5 2 4 2 3 4 2 2 2 6 3 0 1 2 2 1 1 3 2 2 7 9 19 3 4 5 5 8 13 7 2 1 2 2 1 0 3 6 3 4 5 9 5 3 3 4 2 1 3 5 16 19 12 6 2 2 3 5 14 48 61 13 30 63 22 8 3 8 8 16 2 3 5 3 1 2 3 8 7 5 10 5 1 2 4 7 2 3 4 3 4 6 5 4 5 4 4 2 1 2 2 1 3 3 3 3 2 2 3 3 2 2 2 3 4 10 12 6 31 3 2 1 1 2 1 1 4 15 1 1 1 2 1 1 1 1 1 12 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 3 2 2 2 1 2 4 2 1 2 3 2 2 3 6 3 5 4 5 16 10 13 18 5 3 2 2 3 4 10 100 51 1 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 72 72 dq 1H J 10 101 | 64 63 dd 1H J 13 101 | 61 60 q 1H J 9 | 56 56 t 1H J 50 | 46 45 dd 1H J 51 136 | 44 44 s 1H | 43 43 dd 1H J 50 136 | 40 40 t 1H J 51 | 27 26 dddd 1H J 9 47 73 143 | 26 25 m 1H | 25 24 m 2H | 22 22 m 1H | 21 20 m 2H | 19 18 dt 1H J 64 135 | 18 17 qq 1H J 15 65 | 15 14 m 2H | 14 14 d 3H J 11 | 10 10 d 3H J 70 | 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. |
Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1N | ir: 58 42 23 11 10 11 6 5 5 10 41 15 8 8 9 4 1 7 8 14 4 5 4 1 1 4 13 13 6 6 3 3 2 5 3 1 2 3 2 2 9 3 3 1 2 3 4 0 2 3 2 1 3 15 12 1 2 2 2 3 2 3 2 2 2 3 4 12 9 4 2 1 2 3 3 5 2 4 2 4 2 3 2 14 4 3 1 1 3 3 1 2 6 2 1 1 3 3 20 5 2 4 2 1 2 1 1 2 4 6 6 2 2 1 1 5 11 12 8 6 4 3 2 3 4 2 2 5 8 19 23 8 5 3 2 2 2 1 1 1 1 1 1 2 3 1 1 5 4 30 38 33 15 3 17 9 25 59 36 20 3 2 6 37 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 2 2 2 2 4 2 15 13 11 12 16 15 3 2 2 3 3 1 1 1 2 1 0 1 2 1 1 3 22 25 1 3 1 1 1 1 2 2 3 10 100 41 32 7 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 dd 1H J 21 81 | 71 71 dq 1H J 9 81 | 66 66 d 1H J 21 | 37 37 s 2H | 33 33 s 3H | 22 22 d 4H J 11 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCc2cc(NC(=O)C(=S)N3CCOCC3)ccc2C1 | ir: 7 6 7 8 8 13 6 10 14 2 16 13 4 6 5 4 2 1 2 2 2 1 1 1 1 1 2 1 1 3 2 1 2 2 3 5 4 18 16 22 16 3 7 2 3 2 2 7 3 8 4 2 5 7 8 3 12 3 1 1 0 2 4 1 1 3 2 4 12 1 1 2 5 10 2 1 3 2 1 0 0 0 0 0 1 1 4 1 3 4 2 8 9 9 8 6 1 2 2 2 4 2 1 4 3 6 4 7 15 6 4 3 6 6 14 12 16 6 5 8 9 28 15 3 3 5 2 1 1 2 4 6 2 2 5 3 13 7 2 3 1 1 7 2 4 9 22 18 5 6 10 100 13 3 7 4 2 1 1 0 0 1 2 26 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 4 2 5 3 2 2 2 2 4 8 14 15 9 11 18 11 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 6 18 35 4 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 75 74 dd 1H J 22 82 | 74 73 m 1H | 71 71 dt 1H J 9 82 | 45 45 d 2H J 9 | 40 40 dd 4H J 47 60 | 39 39 dd 4H J 47 59 | 37 37 m 2H | 29 29 m 2H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CN1CCc2ccc(OCc3ccc(-c4ccc(C(F)(F)F)cc4)nc3C)cc21 | ir: 2 1 1 1 0 2 2 3 3 2 2 1 1 1 3 1 2 4 4 3 6 3 1 2 0 1 3 2 2 3 1 1 2 4 9 3 5 2 2 1 1 1 1 2 2 1 1 1 1 2 2 2 25 29 6 7 5 6 2 2 1 1 1 1 1 3 3 3 7 6 6 3 4 5 4 5 1 3 3 2 4 3 3 3 5 4 2 4 3 4 5 3 2 2 2 2 3 9 5 16 7 2 0 1 0 1 1 1 1 1 1 6 100 4 2 2 1 6 10 11 3 5 3 4 4 5 8 4 2 4 2 3 2 1 1 1 4 19 22 3 2 1 6 10 15 16 8 8 18 8 10 6 7 6 4 1 1 2 3 1 1 1 6 3 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 2 1 1 1 1 1 1 3 1 1 1 3 2 3 6 10 20 18 17 23 6 3 2 2 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 77 76 dq 2H J 14 114 | 76 76 d 1H J 82 | 74 74 dt 1H J 9 82 | 69 69 dt 1H J 9 91 | 67 66 dd 1H J 24 90 | 66 65 d 1H J 25 | 53 52 d 2H J 7 | 43 43 s 2H | 42 41 q 2H J 65 | 37 36 m 2H | 30 29 td 2H J 8 43 | 24 24 s 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. |
Cn1c(Nc2ccc(I)cc2Cl)c(C(=O)Oc2ccccc2)c(=O)n(C)c1=O | ir: 1 5 8 3 2 9 1 2 21 8 2 8 7 12 10 5 1 2 2 2 2 8 4 2 1 1 2 7 22 14 3 3 2 3 2 5 37 11 10 7 16 7 1 1 2 3 9 2 5 22 34 100 24 4 9 14 41 1 1 3 3 0 1 2 1 1 1 12 7 7 4 2 1 2 2 2 2 2 6 3 1 1 2 1 3 4 3 2 1 1 1 3 2 9 12 2 2 1 6 2 1 1 1 1 4 1 1 1 1 1 1 1 1 2 2 4 3 2 3 31 33 16 30 5 5 3 4 3 4 2 3 3 2 7 8 7 2 2 4 6 3 3 4 25 3 3 3 52 29 1 3 8 6 5 2 8 44 3 2 2 36 1 4 43 11 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 4 8 6 15 52 15 7 6 5 2 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 2 1 4 41 93 35 5 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 78 77 d 1H J 21 | 76 75 m 2H | 75 74 m 2H | 74 74 d 1H J 78 | 72 72 m 2H | 34 34 s 3H | 34 33 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1 | ir: 0 2 5 3 12 5 7 11 11 3 5 1 1 2 24 11 5 4 1 1 1 5 6 4 1 3 3 2 3 3 5 7 19 15 13 12 7 4 50 15 12 45 33 21 5 3 2 24 16 8 2 3 3 1 3 5 9 2 1 2 4 8 3 1 1 0 1 2 9 14 4 3 1 1 1 1 2 5 4 1 5 4 1 2 1 1 0 1 4 11 5 3 1 2 4 2 1 3 1 3 3 2 6 10 6 5 3 2 1 1 3 3 3 2 1 1 2 5 2 2 6 5 11 5 8 10 6 3 6 7 8 3 16 5 4 23 10 10 5 5 8 10 10 21 31 14 28 21 15 21 100 20 15 3 1 2 1 1 2 2 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 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 1 1 2 1 1 1 2 1 2 1 1 2 4 4 3 5 28 23 27 90 47 28 7 0 2 3 3 1 3 2 1 0 1 1 1 0 1 1 1 1 3 6 18 20 25 11 9 3 2 1 1 1 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 91 90 s 1H | 74 73 m 10H | 73 72 m 1H | 72 71 m 2H | 71 70 dd 1H J 74 87 | 59 58 d 1H J 8 | 40 40 s 2H | 37 37 s 2H | 31 29 heptd 2H J 7 66 | 13 13 d 12H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)OC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)O)[C@@]4(C)CC[C@@H]32)C1 | ir: 4 3 3 4 6 3 4 2 2 3 9 3 3 4 3 6 5 5 2 6 4 5 3 3 3 1 2 2 2 2 1 1 0 1 2 2 1 1 1 2 1 1 1 1 1 3 2 1 3 3 2 0 2 6 2 2 1 1 2 5 2 5 4 10 3 14 22 9 6 1 10 14 3 3 4 10 3 6 4 6 5 6 12 18 7 10 41 56 38 8 17 6 10 3 1 4 3 4 13 8 72 12 10 6 12 9 14 13 15 6 4 5 32 7 1 8 12 8 11 12 9 12 13 36 42 11 4 15 7 11 3 3 5 4 5 13 8 2 2 2 1 3 2 19 100 10 2 0 1 1 1 0 1 1 1 0 1 12 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 1 1 1 4 2 2 8 5 3 7 4 9 5 11 3 12 6 8 5 13 32 20 42 10 5 3 3 5 6 4 37 24 5 12 1 3 4 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0; 1HNMR: 54 53 tdt 1H J 8 18 47 | 47 46 p 1H J 52 | 38 37 qtd 1H J 34 47 60 | 26 25 m 2H | 23 22 ddq 1H J 9 51 156 | 21 20 ddd 1H J 64 91 130 | 20 20 s 3H | 20 19 dddt 1H J 9 37 46 148 | 19 18 m 2H | 17 15 m 5H | 15 13 m 4H | 13 12 m 1H | 13 12 m 2H | 12 11 m 1H | 12 11 dd 3H J 12 60 | 10 10 s 2H | 10 9 dddd 1H J 26 44 71 88 | 8 8 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)O | ir: 11 7 9 10 7 4 6 7 6 7 10 15 13 10 19 12 24 12 21 15 80 27 36 43 16 9 29 15 33 9 32 34 52 22 21 24 24 30 64 67 14 9 14 14 7 6 8 8 6 7 5 6 4 4 8 5 3 1 2 4 2 2 3 4 2 1 3 6 3 1 5 5 5 4 7 5 4 7 14 18 33 14 20 8 14 12 25 11 3 7 4 7 7 3 5 6 5 8 6 6 4 3 4 3 2 2 4 3 4 5 15 23 32 11 16 7 4 17 6 9 10 8 19 8 2 11 29 14 5 12 6 7 4 8 5 2 3 8 5 6 11 28 100 45 37 38 54 19 21 88 20 7 5 5 2 2 2 4 2 1 1 2 2 0 1 3 1 0 1 3 2 0 1 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 2 1 2 2 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 4 6 4 3 4 5 5 6 4 4 5 5 6 19 15 7 4 3 2 3 2 2 3 1 32 16 42 59 9 17 3 2 3 4 4 4 3 7 10 14 10 40 85 58 15 11 6 4 4 4 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 70 69 t 1H J 46 | 58 58 d 1H J 73 | 43 42 dq 1H J 60 75 | 33 32 m 2H | 24 23 t 2H J 87 | 19 18 tt 2H J 57 86 | 14 14 s 8H | 12 12 d 3H J 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(C)[nH]3)[C@H](OC)C2)s1 | ir: 12 5 5 5 8 14 4 12 6 12 9 6 13 12 15 12 18 30 32 21 16 7 5 3 5 2 3 4 4 2 1 2 2 1 1 19 3 4 7 4 4 3 3 4 2 5 4 8 6 13 26 37 38 10 5 12 9 4 3 17 7 14 18 14 21 7 9 6 23 18 16 5 7 7 11 20 4 3 5 7 5 2 14 14 10 2 3 5 9 11 9 9 15 28 17 52 32 13 12 6 4 15 56 100 32 20 18 28 29 38 32 27 15 40 55 20 13 15 72 24 9 36 29 18 39 12 11 18 12 25 17 16 21 15 11 4 5 3 3 2 3 6 14 53 15 20 21 6 2 2 1 1 1 2 1 1 1 2 2 1 3 6 16 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 0 2 1 1 1 1 2 1 3 1 2 2 4 4 3 13 16 9 5 12 13 7 6 13 11 19 18 19 26 58 56 22 22 66 40 6 3 0 2 2 1 2 2 7 55 43 7 3 2 2 2 2 3 3 5 11 36 32 24 9 5 4 2 4 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 s 1H | 68 68 d 1H J 97 | 44 43 q 2H J 64 | 42 42 dddt 1H J 14 29 39 55 | 41 40 dddd 1H J 26 40 53 95 | 40 39 dd 1H J 25 138 | 39 38 ddd 1H J 59 85 142 | 38 37 dd 1H J 52 138 | 37 36 ddd 1H J 59 86 143 | 34 33 d 3H J 14 | 25 24 s 2H | 23 22 dddd 1H J 27 58 84 128 | 20 19 ddt 1H J 57 84 130 | 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. |
CC(=O)N1CCCC(=O)c2ccc(Cl)cc2C(c2ccccc2)CC1=O | ir: 7 7 7 4 4 4 6 4 6 3 4 6 5 7 14 16 11 12 12 4 3 8 8 4 4 4 6 9 3 3 12 30 11 13 12 8 7 10 9 21 11 16 12 7 7 3 4 8 5 6 8 10 7 3 21 11 5 4 3 3 4 4 14 2 2 3 6 8 8 8 16 14 6 8 4 2 3 4 3 3 4 3 1 2 3 4 2 1 3 5 5 4 3 2 1 2 8 8 4 5 5 3 13 7 5 4 2 3 9 4 6 9 7 3 6 7 10 5 5 6 15 13 4 12 13 7 12 19 14 17 9 19 14 2 11 22 13 13 7 20 23 1 37 56 40 15 9 4 5 14 77 68 16 14 8 6 3 1 1 2 2 11 9 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 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 1 2 3 5 2 7 8 4 4 5 5 6 22 32 26 25 100 27 14 5 5 5 3 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 d 1H J 85 | 74 73 m 2H | 73 72 d 4H J 49 | 72 72 m 1H | 48 48 t 1H J 76 | 38 37 t 2H J 65 | 31 30 dd 1H J 77 159 | 29 28 m 3H | 23 23 s 2H | 20 19 tt 2H J 66 88 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c[nH]c(=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12 | ir: 2 2 3 1 2 3 2 2 2 1 1 1 1 2 1 2 2 1 1 1 6 3 3 2 1 1 1 1 2 2 6 12 17 5 4 3 2 3 8 20 53 5 3 3 5 19 100 7 3 1 2 2 3 1 1 1 2 1 1 1 1 1 1 2 1 1 3 12 9 8 8 3 2 2 2 2 2 2 2 2 1 1 2 2 7 6 8 3 3 14 5 3 2 1 3 3 4 6 5 2 1 1 2 2 17 5 4 2 2 1 1 1 2 1 1 1 1 2 2 2 4 8 2 2 5 3 3 13 11 5 4 4 4 3 5 37 3 1 1 2 2 4 13 59 7 2 1 5 2 2 11 13 17 11 4 7 2 1 1 3 24 21 4 0 17 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 3 6 11 11 83 14 38 12 4 4 2 2 1 2 1 2 1 2 1 1 1 1 1 2 2 4 6 9 15 15 3 3 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 d 1H J 68 | 78 77 d 1H J 80 | 73 72 m 6H | 73 72 s 6H | 70 70 d 1H J 21 | 68 68 dd 1H J 22 81 | 45 45 s 4H | 23 23 d 3H J 14 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cc(-c2nc(N[C@@H]3CCOC[C@@H]3N)c(F)c3c2C(=O)NC3)sn1 | ir: 2 3 4 5 4 4 7 6 3 4 3 4 4 3 5 7 13 17 18 6 12 9 14 6 9 5 10 6 10 6 5 5 4 7 5 4 5 4 5 2 4 7 23 39 17 3 5 5 6 6 4 3 3 3 3 3 3 4 4 5 8 19 29 15 3 4 8 4 5 27 8 5 4 5 12 6 12 5 3 2 3 4 4 3 7 6 4 2 2 2 2 2 3 2 2 2 2 8 3 3 2 2 4 3 3 3 3 3 3 7 4 3 3 4 16 8 5 8 5 11 5 6 6 16 12 5 4 15 7 5 3 5 9 6 8 5 6 6 8 23 8 4 4 3 3 5 8 5 2 2 3 4 2 2 36 0 1 8 100 7 3 0 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 2 2 3 3 3 3 6 3 4 2 2 2 2 2 2 2 2 2 2 2 3 2 6 4 15 16 8 5 3 5 5 39 9 25 10 15 10 4 3 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 t 1H J 51 | 73 73 t 1H J 9 | 62 61 dd 1H J 46 90 | 51 50 t 2H J 51 | 38 37 m 3H | 36 35 m 2H | 33 32 ttd 1H J 9 37 67 | 28 27 qd 2H J 9 66 | 22 21 ddt 1H J 32 62 143 | 19 18 m 1H | 19 18 d 2H J 68 | 13 13 t 3H J 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O[C@H]1C[C@@H](N2CCCCC2)C1 | ir: 7 5 10 6 6 5 4 2 4 7 4 4 5 8 15 7 3 6 4 4 40 4 4 2 4 6 7 11 6 8 4 2 4 5 4 3 4 7 8 8 6 9 4 3 3 5 5 4 6 17 15 13 16 20 8 9 9 7 10 8 11 5 8 13 12 17 16 14 41 6 9 6 10 13 19 43 33 8 9 10 35 25 45 30 90 50 100 13 97 59 50 36 36 62 14 20 17 38 31 24 31 30 15 5 22 9 1 2 15 12 12 15 31 10 18 8 9 6 5 3 6 4 4 3 3 2 2 5 18 5 4 12 4 31 30 14 23 7 6 8 6 2 1 3 3 1 1 2 2 0 1 3 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 1 1 2 3 2 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 2 3 5 5 4 4 4 3 9 19 47 13 8 8 9 7 11 12 19 12 6 4 3 3 4 8 29 17 17 4 7 2 3 4 3 1 2 3 2 2 2 3 2 3 2 5 6 2 3 2 2 1 3 2 1 1 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 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 40 39 pdd 1H J 25 58 68 | 31 30 pd 1H J 25 84 | 30 29 d 1H J 59 | 27 26 ddd 2H J 40 59 121 | 26 25 ddd 2H J 40 59 120 | 21 20 ddd 2H J 70 82 117 | 19 18 ddd 2H J 67 84 118 | 16 15 m 4H | 15 14 q 2H J 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(F)ccc1Nc1nc2ccc3c(C)c(C=CCN)[nH]c(=O)c3c2n1C | ir: 2 2 1 2 2 8 6 2 2 4 3 4 2 4 7 7 3 2 4 3 3 15 8 3 2 2 6 20 5 8 4 2 1 2 2 1 9 3 1 3 3 2 3 16 13 1 1 7 23 43 15 1 3 6 19 11 29 19 6 2 4 5 7 44 13 2 5 9 31 20 7 7 10 4 3 2 6 6 5 1 7 6 6 1 2 1 2 1 3 6 4 2 2 1 1 1 2 2 5 11 3 1 1 3 2 1 0 3 11 4 2 2 2 1 1 2 7 6 8 8 4 4 7 8 8 6 3 4 4 6 7 12 7 44 18 28 14 6 12 12 2 2 4 4 2 14 10 2 2 4 7 2 17 2 24 8 94 5 1 7 7 23 10 3 1 1 5 2 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 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 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 5 11 11 6 10 18 24 6 2 1 1 1 2 2 2 8 2 4 6 7 22 16 9 4 5 8 27 57 51 23 100 71 15 10 7 3 1 1 3 2 1 1 3 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 90 89 s 1H | 79 79 d 1H J 81 | 78 78 d 1H J 81 | 77 76 s 1H | 72 72 dd 1H J 46 77 | 70 69 m 2H | 68 67 dt 1H J 13 145 | 60 60 dt 1H J 37 147 | 38 37 s 3H | 35 34 tdd 2H J 13 36 64 | 26 26 t 2H J 65 | 25 25 s 3H | 23 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
ON=CCc1cccs1 | ir: 5 4 9 20 48 42 60 46 22 29 7 6 6 5 4 2 2 2 2 2 3 7 7 5 3 3 2 3 3 3 3 3 2 2 4 9 5 7 15 30 29 20 4 1 2 2 2 2 3 2 2 3 3 3 5 3 3 2 2 1 3 3 7 12 7 3 4 4 2 2 2 2 3 2 3 8 18 23 10 5 4 2 2 2 2 2 2 3 4 5 5 3 3 3 3 6 9 9 14 12 12 5 4 3 2 2 2 2 2 3 2 2 9 14 5 3 2 3 3 3 3 2 2 2 3 2 1 2 2 3 6 6 5 2 2 1 1 1 1 1 1 1 2 2 2 4 4 3 3 1 4 5 4 4 6 6 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 2 3 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 1 3 3 4 10 13 29 22 6 9 10 6 73 100 0 6 6 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 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; 1HNMR: 89 89 s 1H | 73 72 m 2H | 70 69 m 2H | 35 34 dd 2H J 7 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(O)=CC(=O)c1cccc(C)c1 | ir: 1 2 1 1 1 5 2 2 5 5 5 15 17 16 26 34 4 9 5 4 2 1 2 1 4 2 2 1 4 3 5 7 2 3 3 1 1 2 3 8 9 5 2 0 1 1 1 5 2 1 1 0 1 2 1 0 1 2 1 0 1 2 4 1 1 2 1 1 5 3 4 9 5 5 4 2 6 7 3 5 4 1 3 3 22 2 1 1 2 1 1 1 3 13 5 14 37 27 9 5 0 1 1 1 0 1 1 1 0 1 1 1 1 5 7 2 1 2 4 8 1 2 1 1 1 9 5 1 3 2 1 1 1 1 1 6 3 5 2 1 3 13 1 1 1 4 64 11 2 0 0 1 1 1 0 2 1 0 0 1 0 0 2 13 3 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 1 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 0 2 2 2 9 5 6 28 20 9 5 4 2 2 5 25 100 12 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 ddd 1H J 11 21 77 | 78 77 t 1H J 22 | 74 73 t 1H J 78 | 73 73 ddt 1H J 8 27 81 | 65 65 s 1H | 43 43 q 2H J 71 | 24 23 d 3H J 8 | 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=C1c2ccccc2CC(=O)c2ccccc21 | ir: 1 1 0 1 1 1 4 10 4 6 1 1 1 0 0 1 2 3 4 6 11 6 1 4 3 1 1 2 1 1 5 3 1 1 1 1 1 2 10 3 3 5 22 47 28 3 1 0 2 1 1 1 1 1 2 6 4 2 2 8 4 2 1 2 1 0 1 2 4 4 3 2 1 2 3 3 1 1 2 1 0 1 2 1 1 1 2 4 3 7 3 1 2 2 1 1 0 0 2 1 1 0 1 1 0 1 1 1 13 1 2 0 1 3 1 2 3 2 2 2 2 10 13 14 6 3 7 7 1 1 1 1 1 0 1 2 2 15 22 9 14 10 2 0 0 2 2 28 19 4 16 37 1 1 1 5 2 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 1 1 1 1 3 3 2 1 2 1 1 3 4 5 13 26 100 25 9 1 1 2 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 16 78 | 77 77 dd 1H J 17 78 | 76 75 m 2H | 75 74 td 1H J 16 78 | 74 73 td 1H J 16 76 | 72 71 m 2H | 62 61 q 1H J 59 | 45 45 d 2H J 7 | 19 18 d 3H J 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNC(=O)CN1CCN(c2ccc(OC)c3nc(C(F)(F)F)ccc23)C[C@@H]1Cc1ccccc1 | ir: 14 10 10 6 8 6 6 10 17 8 3 5 7 7 4 7 6 4 9 7 6 8 9 12 12 7 14 22 10 7 29 32 23 16 13 20 11 2 65 41 18 6 6 7 14 9 7 6 8 9 12 52 29 15 31 13 13 16 10 6 5 5 5 8 8 8 6 12 17 11 12 5 6 7 8 6 6 6 8 9 5 16 100 52 10 12 33 13 12 14 16 9 9 7 3 5 10 30 87 26 16 23 9 9 7 9 26 5 2 4 8 15 6 23 12 7 0 5 6 4 10 13 25 22 21 9 7 10 6 5 14 10 5 6 12 16 9 6 8 8 9 13 18 59 57 54 31 26 18 23 9 6 9 8 32 4 5 3 3 4 4 4 14 4 20 6 4 2 3 5 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 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 4 3 4 4 4 4 4 7 5 5 5 5 5 6 6 8 22 15 32 80 45 10 10 7 4 4 5 6 4 3 4 4 3 3 4 4 4 4 8 9 11 23 55 40 24 29 21 10 5 6 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 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 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3; 1HNMR: 83 82 d 1H J 109 | 77 77 dq 1H J 22 110 | 73 73 m 2H | 73 72 m 3H | 71 70 d 1H J 97 | 70 69 d 1H J 99 | 60 60 q 1H J 50 | 39 39 s 2H | 37 37 dd 1H J 30 107 | 35 33 m 4H | 33 33 d 1H J 141 | 32 30 m 3H | 29 29 ddt 1H J 9 84 126 | 28 28 d 3H J 49 | 27 26 ddt 1H J 9 82 126 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(CN(c2ccc(Cl)cc2)S(C)(=O)=O)OCCO1 | ir: 8 24 4 6 5 25 9 5 5 4 7 3 4 9 32 10 2 2 8 7 13 5 2 1 3 2 0 2 2 2 1 2 2 3 4 4 5 8 1 1 1 4 2 2 1 0 3 3 2 0 2 4 7 4 100 21 11 11 10 8 26 10 8 4 5 5 6 3 6 23 40 13 3 1 3 3 4 2 2 2 2 2 4 5 41 19 9 81 71 93 29 9 4 3 24 3 3 3 3 5 5 18 20 35 23 7 6 3 3 1 2 1 1 2 2 3 2 10 3 5 5 25 9 3 2 5 3 6 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 19 20 2 0 17 72 4 2 0 1 2 1 0 1 2 28 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 1 1 1 1 1 3 2 1 1 3 4 4 1 1 2 2 5 13 73 32 21 27 32 10 8 4 5 4 3 7 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 0 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: 73 73 m 2H | 72 71 m 2H | 40 39 m 4H | 39 38 m 2H | 30 30 s 3H | 15 15 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCCCCCCCNc1cccc2c1C(=O)c1cccc3c1c-2nn3Cc1ccccc1 | ir: 1 2 2 5 2 1 1 2 1 2 3 2 0 4 9 6 2 1 3 2 3 2 1 2 3 5 3 19 7 13 22 70 19 14 10 10 8 10 7 20 9 4 5 3 5 6 2 15 58 0 3 13 31 10 9 10 4 1 2 2 1 2 15 4 1 2 4 3 3 6 7 25 18 25 26 6 4 2 4 4 4 2 13 2 2 1 1 1 2 2 1 1 2 2 2 1 1 1 4 3 1 1 2 1 1 1 1 4 4 9 7 4 1 3 4 1 8 9 14 4 1 5 5 6 3 3 6 16 6 3 2 20 17 14 13 30 11 10 4 2 6 8 77 71 8 3 4 12 1 1 2 19 70 10 8 1 1 5 9 3 1 1 4 6 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 1 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 3 5 2 1 2 1 1 1 2 4 5 7 9 5 100 21 2 3 2 1 1 1 1 1 2 3 3 5 17 11 6 2 3 5 3 7 30 12 31 23 19 18 10 3 4 5 5 2 2 2 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 82 dd 1H J 11 84 | 81 81 dd 1H J 13 73 | 78 78 t 1H J 48 | 76 75 dd 1H J 13 73 | 75 74 m 2H | 73 72 m 3H | 72 71 ddt 2H J 9 18 49 | 70 69 dd 1H J 11 79 | 55 54 d 2H J 9 | 33 32 m 2H | 27 26 tt 2H J 52 65 | 19 18 tt 2H J 51 74 | 16 15 m 4H | 14 13 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1ccc(Oc2ccc(CN(CCc3ccccc3)C(=O)OC(C)(C)C)cc2)nc1 | ir: 8 7 4 6 3 3 3 5 3 5 8 8 11 7 5 5 3 2 1 2 2 1 1 3 3 3 2 3 7 4 5 7 2 2 4 41 6 5 5 10 22 6 3 2 6 2 3 3 3 3 2 3 5 9 21 5 17 3 3 6 2 2 3 2 1 1 2 2 11 27 10 2 3 3 2 2 2 3 6 3 4 1 1 2 2 2 3 3 3 7 7 3 2 2 1 6 2 3 4 3 2 1 2 3 6 2 2 2 1 2 3 3 4 4 4 2 9 9 5 4 7 4 8 13 4 8 7 7 2 8 8 8 13 19 13 21 29 100 8 4 2 2 3 12 7 3 3 5 5 8 10 98 9 5 12 4 3 1 1 2 3 25 10 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 3 3 2 2 2 2 2 3 3 7 19 15 11 64 16 4 3 3 3 2 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 1 1 1 1 1; 1HNMR: 87 86 d 1H J 19 | 82 81 dd 1H J 19 81 | 73 73 m 2H | 73 72 m 5H | 69 69 m 3H | 44 43 m 4H | 35 34 m 2H | 29 28 tt 2H J 8 60 | 15 14 s 7H | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1ccccc1)NC1CCc2c(cnc3[nH]ncc23)C1 | ir: 1 1 1 1 1 1 2 3 30 21 1 1 2 1 0 1 2 2 2 1 2 1 1 2 2 3 1 1 3 1 1 3 5 12 3 2 5 1 1 9 3 40 56 100 3 6 3 3 2 3 2 1 3 1 1 1 1 1 2 2 1 1 1 1 1 0 1 2 1 5 1 1 1 1 1 2 2 1 1 2 1 0 1 1 1 6 5 2 1 1 1 20 10 3 2 2 4 3 2 1 1 1 2 2 13 3 4 3 3 2 5 7 8 3 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 3 6 3 1 1 1 2 2 1 1 2 2 1 2 3 18 15 11 4 21 8 2 9 8 2 3 10 3 2 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 2 2 2 2 5 3 4 14 12 3 2 4 3 1 0 1 1 1 2 1 1 1 0 1 1 1 1 2 3 1 3 39 21 12 8 7 5 3 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 s 1H | 82 82 t 1H J 9 | 76 76 s 1H | 73 72 m 4H | 70 70 tt 1H J 13 68 | 65 65 d 1H J 81 | 41 40 dtt 1H J 49 64 79 | 36 35 ddd 1H J 60 87 167 | 34 33 ddd 1H J 60 87 167 | 32 31 ddd 1H J 8 64 161 | 29 28 ddd 1H J 9 64 163 | 21 20 dddd 1H J 50 60 88 136 | 19 18 dddd 1H J 50 60 88 137 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cc(C)cn1C | ir: 8 4 6 51 97 33 19 9 13 7 9 5 5 3 5 3 3 4 3 4 4 3 2 7 8 20 62 7 2 3 3 9 13 6 3 2 2 3 3 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 3 3 5 9 24 43 0 5 10 10 9 5 4 10 8 17 30 24 50 44 35 9 5 5 3 3 3 3 3 4 2 4 5 41 4 4 4 3 2 5 24 73 15 10 4 3 4 4 10 24 21 9 5 5 11 12 37 15 11 42 37 36 18 4 6 3 5 5 13 11 18 22 4 5 4 2 3 2 3 4 5 37 4 3 5 5 3 52 100 15 14 6 3 2 3 3 3 45 35 15 4 3 18 5 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 4 9 7 6 4 6 4 5 4 8 4 5 7 5 15 33 40 11 15 17 66 60 77 13 4 6 2 3 5 4 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 67 67 m 1H | 66 66 d 1H J 22 | 43 42 q 2H J 64 | 38 38 s 3H | 23 22 s 3H | 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. |
Oc1nnc(Cl)cc1N1CCNCC1 | ir: 10 96 5 16 8 4 0 5 18 6 3 97 6 18 39 4 21 7 10 12 7 4 2 3 5 15 24 7 3 2 3 4 3 2 2 4 4 2 10 4 3 1 5 16 7 2 5 6 17 43 5 7 8 18 7 5 11 11 4 5 3 1 5 37 6 2 6 38 19 5 5 5 7 10 5 11 100 29 10 6 2 2 4 4 9 9 3 3 2 1 17 6 2 7 13 6 2 7 10 6 2 62 9 4 2 3 11 38 13 5 6 5 75 31 67 84 20 7 4 6 3 3 5 5 8 10 6 43 26 33 7 4 1 5 4 2 1 4 3 1 1 26 36 2 2 3 3 1 7 4 4 1 2 3 2 1 2 3 4 13 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 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 5 4 2 2 5 3 1 2 4 3 1 2 6 8 5 9 88 17 2 2 3 2 2 3 6 55 7 3 4 3 2 3 3 2 3 15 42 29 4 4 5 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 68 68 s 1H | 34 33 m 5H | 31 30 m 4H | 19 18 p 1H J 32 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=c1c2ccc(OCc3ccccn3)cc2oc2cc(N3CCOCC3)cc(O)c12 | ir: 8 7 11 11 11 10 8 5 3 4 5 3 6 8 20 18 20 22 19 39 56 78 31 20 13 18 17 17 26 9 11 11 24 10 6 7 21 16 43 15 4 3 2 5 6 3 87 67 3 9 14 8 10 27 12 32 42 11 11 4 4 15 4 39 7 12 27 67 76 27 26 12 52 55 15 5 6 5 6 7 11 18 17 14 20 9 24 12 11 29 16 77 69 15 13 30 7 12 8 8 6 4 1 3 5 9 19 15 6 7 11 12 12 15 3 4 4 5 10 6 6 5 3 6 5 9 3 6 14 5 4 4 13 4 31 18 30 9 10 9 5 1 1 4 4 3 25 10 7 2 16 5 8 32 12 38 36 54 65 17 8 0 66 53 24 1 2 4 2 0 2 4 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 5 6 4 6 5 5 3 3 5 7 15 15 23 100 96 90 31 17 6 45 89 11 9 5 4 2 1 3 2 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3; 1HNMR: 86 86 dd 1H J 17 42 | 81 81 d 1H J 86 | 79 78 td 1H J 17 74 | 76 76 dq 1H J 10 73 | 74 73 ddd 1H J 15 42 73 | 69 69 dd 1H J 24 86 | 69 68 d 1H J 23 | 63 63 d 1H J 22 | 62 62 d 1H J 22 | 53 52 d 2H J 7 | 39 38 dd 4H J 44 51 | 34 34 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2/C=N/NS(=O)(=O)c2ccccc2)CC1 | ir: 8 5 9 10 4 6 5 3 7 9 21 8 5 4 13 13 22 19 9 19 27 20 15 10 6 7 9 4 7 6 4 6 6 4 3 6 7 4 4 5 7 15 3 3 3 12 8 33 4 4 2 1 2 3 2 1 2 6 2 1 3 4 5 3 23 1 2 1 2 5 2 4 2 2 2 3 3 9 3 1 2 2 3 3 21 100 9 2 9 19 9 3 5 3 2 5 5 12 6 3 3 4 2 2 2 2 1 1 3 3 7 2 3 5 3 3 8 4 7 9 16 5 13 6 4 2 3 6 6 8 26 18 13 10 17 27 24 26 7 10 26 7 13 17 4 1 2 5 3 0 4 51 3 17 5 1 2 2 10 6 5 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 3 3 6 16 9 10 26 11 18 3 1 2 2 2 2 2 2 1 1 2 2 1 1 2 3 6 3 4 7 21 18 11 7 6 30 23 45 4 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; 1HNMR: 93 92 s 1H | 85 85 s 1H | 80 79 tt 1H J 13 74 | 79 78 m 2H | 75 75 m 2H | 73 73 dd 1H J 12 83 | 72 72 dd 1H J 77 84 | 67 66 dd 1H J 11 77 | 36 36 m 5H | 34 33 m 4H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1c(C)nc2c(OCc3ncccc3F)cc(C)cn12 | ir: 1 4 3 1 0 1 2 4 3 9 3 1 1 1 4 1 1 1 2 0 1 2 3 13 15 11 2 1 1 2 4 13 7 4 6 2 2 2 9 3 8 3 3 3 5 14 2 1 1 1 1 8 3 6 5 1 4 8 8 2 8 12 13 1 12 17 69 28 2 6 12 16 18 4 6 13 15 17 8 3 1 2 3 1 0 0 1 1 6 0 4 4 2 5 37 14 19 28 6 2 3 6 12 12 47 10 30 14 1 2 8 24 3 9 34 15 15 8 15 18 12 9 15 16 14 9 6 3 12 1 32 1 11 3 2 2 7 3 2 2 6 30 10 20 15 16 13 10 3 4 2 1 1 1 1 0 1 1 1 0 1 1 1 8 11 1 1 0 12 4 3 8 9 10 3 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 10 11 5 4 6 5 4 14 6 8 2 13 21 32 23 63 38 70 100 89 12 7 6 3 1 2 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0; 1HNMR: 91 91 p 1H J 14 | 84 83 dd 1H J 20 41 | 79 78 ddd 1H J 22 79 101 | 74 74 ddd 1H J 40 49 79 | 68 67 p 1H J 11 | 55 55 d 2H J 44 | 43 42 q 2H J 64 | 28 28 s 2H | 23 23 m 3H | 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. |
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