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COC=P(c1ccccc1)(c1ccccc1)c1ccccc1 | ir: 3 3 3 3 2 3 3 3 3 3 4 9 5 9 6 10 13 4 3 3 3 3 3 3 3 3 3 4 5 14 100 8 5 6 4 4 4 3 19 7 52 8 4 3 3 3 3 4 3 2 48 0 3 5 3 2 3 4 3 2 3 4 3 2 3 3 3 6 7 17 3 2 3 3 3 3 3 4 7 5 3 3 3 3 8 6 13 3 4 4 3 3 3 3 2 2 4 4 5 27 11 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 9 25 5 5 5 3 3 3 3 3 4 3 4 4 20 16 4 5 9 3 4 4 18 12 7 4 5 3 3 3 3 4 4 3 3 3 3 3 6 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 4 3 3 5 21 18 47 23 11 7 3 3 3 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 77 77 m 6H | 76 75 m 3H | 75 75 m 5H | 75 75 q 1H J 12 | 47 47 q 1H J 10 | 37 37 d 3H J 11 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1cnc2c(-n3cncn3)cc(C(F)(F)F)cn12)N1C2CCC1COC2 | ir: 1 3 11 9 9 5 3 1 2 1 1 3 1 2 3 1 1 1 1 1 1 2 1 1 9 9 2 2 1 0 1 2 8 2 1 1 15 1 8 12 3 0 3 3 23 17 19 7 9 6 5 2 2 3 12 1 3 6 9 2 1 3 3 1 1 0 1 3 3 2 6 8 2 2 2 7 8 1 4 7 1 0 1 4 1 1 1 1 4 3 3 5 4 3 2 2 3 17 12 45 3 3 12 23 3 4 11 46 28 22 5 3 9 9 15 7 15 24 24 5 7 5 3 5 10 4 3 3 2 1 1 1 1 2 21 19 8 13 2 2 1 1 3 5 1 1 2 11 5 6 3 2 2 1 1 1 1 1 1 1 0 0 1 0 8 0 0 1 1 1 4 1 1 13 1 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 2 3 6 13 12 2 3 2 7 12 10 9 34 56 100 27 39 50 20 4 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 p 1H J 15 | 90 89 d 1H J 16 | 84 84 s 1H | 83 83 d 1H J 16 | 82 81 p 1H J 10 | 42 41 ddh 2H J 17 35 52 | 39 39 dd 2H J 37 104 | 37 36 dd 2H J 37 104 | 21 20 m 2H | 19 18 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 | ir: 2 3 3 6 7 7 6 3 2 5 15 14 6 4 4 2 3 3 4 4 4 3 5 7 3 2 1 2 3 2 1 1 2 2 2 2 9 12 3 1 1 1 1 1 1 1 0 0 0 1 1 2 4 9 6 7 2 2 2 3 3 3 3 1 2 3 2 3 2 7 15 4 2 8 5 5 2 3 1 1 1 1 10 11 2 3 3 2 2 4 2 2 2 3 2 1 2 4 1 2 2 1 4 4 2 1 1 1 2 2 1 5 9 5 2 4 5 4 13 9 13 14 16 14 16 6 3 3 5 5 6 5 5 4 3 6 6 2 3 13 41 13 8 4 5 1 3 4 5 6 41 100 17 3 2 2 2 4 10 12 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 2 1 1 1 2 2 3 9 22 11 12 19 7 3 3 3 1 1 1 1 0 0 0 1 0 0 1 37 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 19 | 76 76 dd 1H J 18 75 | 66 66 d 1H J 75 | 37 36 dd 5H J 46 59 | 35 35 dd 4H J 46 59 | 33 33 s 1H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C1Cc2cc3c(SC)nccc3n2C1=O | ir: 46 14 11 5 10 5 8 15 8 6 30 25 7 7 12 4 19 57 0 8 15 4 8 9 5 3 3 4 5 5 4 6 8 5 5 5 11 100 21 7 5 4 5 5 9 17 42 10 7 4 7 5 4 2 4 4 4 2 5 7 4 3 4 9 6 7 11 6 4 3 4 5 5 24 15 7 7 16 9 4 3 3 3 3 3 3 6 3 3 4 4 6 21 6 3 7 5 5 6 6 5 5 1 44 20 6 6 4 2 4 5 6 7 6 6 8 25 63 20 5 1 5 22 14 6 7 11 28 19 6 5 19 18 11 9 4 4 15 5 4 5 3 7 40 36 13 7 2 3 8 6 3 3 71 32 36 5 2 5 46 3 4 4 3 3 4 4 3 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 4 3 4 3 6 4 4 5 10 10 6 10 49 8 9 3 43 13 17 7 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 84 84 d 1H J 40 | 76 76 d 1H J 41 | 68 68 q 1H J 8 | 40 39 t 1H J 60 | 37 37 s 3H | 34 34 ddd 1H J 8 60 135 | 32 31 ddd 1H J 8 59 136 | 26 26 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1c(-c2cncc(CN3CCN(S(C)(=O)=O)CC3)c2)c(C#N)c2ccc(Cl)cc21 | ir: 8 7 5 11 8 11 10 4 3 5 4 2 1 1 1 0 3 1 3 2 1 2 0 1 5 1 1 1 2 3 1 4 1 1 4 3 37 2 0 2 1 2 3 1 1 1 1 0 2 20 6 2 3 1 21 8 2 9 2 4 2 16 2 1 3 7 11 16 15 9 12 3 3 2 2 4 4 5 6 37 49 100 20 7 6 8 4 9 10 30 14 9 3 3 2 1 2 2 7 4 11 21 14 8 9 7 2 1 1 1 3 1 20 9 2 1 2 1 7 3 2 11 4 2 1 1 5 1 1 3 2 1 0 0 1 0 0 1 8 1 0 1 2 3 0 1 5 0 1 0 1 5 3 2 1 0 1 14 3 1 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 3 2 8 12 7 7 7 7 2 2 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 17 | 86 86 tt 1H J 9 16 | 79 79 m 2H | 74 73 dd 1H J 21 70 | 73 73 d 1H J 21 | 38 38 s 3H | 38 37 d 2H J 9 | 31 30 m 4H | 29 29 s 3H | 26 26 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCNCc1cc(Sc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1N | ir: 11 7 5 7 14 17 5 6 9 25 16 13 10 21 9 18 12 8 5 6 18 7 17 10 4 6 6 8 6 11 14 10 10 7 9 13 11 13 22 9 14 15 18 8 15 17 9 13 29 44 13 8 13 11 22 7 6 4 8 6 9 3 5 9 18 20 5 11 13 21 9 6 3 2 9 10 18 17 13 4 2 2 3 8 62 24 44 17 4 4 10 8 5 7 3 4 2 16 18 10 19 39 18 8 6 2 7 13 32 11 11 6 20 9 11 5 3 6 5 18 23 16 42 11 2 3 4 3 12 21 26 6 5 5 13 13 8 4 2 4 9 7 18 33 6 4 2 3 2 6 9 7 20 8 39 16 9 17 3 1 14 42 52 5 3 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 2 2 2 1 2 2 1 2 3 1 4 5 4 7 7 28 100 25 29 9 8 4 1 4 7 4 2 3 2 2 2 2 5 6 21 40 63 22 8 6 4 7 20 30 22 6 15 50 9 5 2 3 2 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 82 81 s 1H | 80 79 tt 1H J 13 74 | 77 77 m 2H | 75 74 m 2H | 73 72 m 1H | 73 72 tq 2H J 18 57 | 71 71 m 2H | 70 70 t 1H J 21 | 67 67 d 1H J 78 | 43 42 p 1H J 50 | 39 38 dd 2H J 8 53 | 38 38 s 2H | 27 27 q 2H J 49 | 16 15 qt 2H J 50 73 | 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. |
COC(=O)c1cc(Oc2ccnc(NC(=O)C3CC3)c2)cc2ccccc12 | ir: 9 9 3 13 11 5 5 7 7 5 5 13 7 4 9 5 6 7 6 6 3 2 2 3 4 4 3 3 7 5 3 8 12 26 12 4 10 42 14 30 19 19 43 43 12 13 16 14 5 2 3 5 3 3 4 6 10 7 5 5 15 7 5 4 10 30 88 16 27 18 5 6 5 19 22 7 7 3 4 5 4 3 4 5 2 11 4 2 2 11 6 6 13 20 3 3 2 3 7 5 5 9 5 3 2 9 13 10 7 4 3 8 7 4 10 5 3 3 2 3 4 17 10 3 4 3 3 3 6 5 19 6 5 8 3 4 3 7 4 4 6 3 2 5 13 7 10 14 44 100 74 56 16 20 41 5 5 10 3 9 15 61 30 3 2 6 3 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 2 4 5 9 12 6 1 33 36 70 4 16 7 3 3 2 2 3 4 2 2 3 3 2 2 3 3 3 6 5 12 10 10 50 10 6 4 2 2 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 97 97 s 1H | 85 84 m 1H | 82 82 d 1H J 50 | 78 78 ddd 1H J 13 22 73 | 76 75 m 2H | 74 73 m 2H | 70 70 d 1H J 22 | 68 68 dd 1H J 22 49 | 39 39 s 2H | 24 24 p 1H J 55 | 12 11 m 2H | 10 9 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc2ccc(NC(=O)OC(C)(C)C)cc2c1 | ir: 12 15 8 6 5 4 2 2 3 6 12 10 0 3 4 3 2 3 4 3 4 2 2 3 5 6 14 8 15 10 16 25 17 14 13 8 10 9 12 4 2 2 2 2 2 3 3 1 2 2 2 2 2 4 4 8 5 9 9 5 7 5 3 7 3 2 1 3 2 2 5 12 16 41 21 4 6 3 2 2 2 2 1 1 3 3 2 2 2 1 1 3 4 2 1 9 5 6 4 4 10 32 8 6 4 4 4 4 3 6 6 5 3 5 7 3 2 3 5 3 5 4 2 5 2 4 3 5 8 6 7 5 4 2 1 2 2 1 1 10 7 2 9 37 24 5 4 8 18 33 23 19 16 3 2 4 8 3 61 30 4 4 2 0 1 2 1 0 5 9 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 4 4 2 2 1 2 2 1 3 4 3 2 6 12 21 19 43 74 86 31 5 2 2 4 3 3 2 2 3 2 1 1 2 3 2 2 2 2 4 10 84 100 48 44 7 3 2 1 1 1 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; 1HNMR: 79 79 t 1H J 22 | 77 77 m 1H | 77 76 dd 1H J 8 86 | 75 74 dd 1H J 21 84 | 71 71 t 1H J 23 | 71 70 dd 1H J 24 84 | 70 69 s 1H | 42 41 q 2H J 68 | 15 14 m 11H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(Cc4ccccc4)CC3)nc2)cc1 | ir: 11 6 6 5 7 6 12 3 5 4 8 4 14 7 4 3 3 39 2 3 2 2 3 4 3 3 3 3 3 4 11 5 5 4 7 39 22 12 24 5 4 6 10 2 3 19 5 3 4 3 3 4 22 32 15 3 4 15 10 2 4 4 3 6 7 4 9 6 9 7 18 3 3 5 3 2 3 5 4 3 3 15 4 4 59 41 7 6 14 19 7 3 2 2 4 9 4 9 6 12 6 4 1 3 11 20 14 7 6 6 16 6 3 3 3 3 3 5 3 4 7 26 4 4 3 2 4 10 5 3 3 5 6 7 4 23 6 46 10 6 3 4 4 9 7 12 5 6 3 4 9 8 6 4 5 3 3 5 17 4 3 3 3 0 12 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 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 3 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 3 2 2 2 3 3 2 2 3 3 2 2 5 3 2 4 4 8 14 12 15 37 100 30 4 4 4 3 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 d 1H J 19 | 79 79 m 2H | 78 78 dd 1H J 19 81 | 78 77 m 2H | 73 72 m 5H | 69 68 d 1H J 82 | 41 41 d 2H J 60 | 35 35 d 2H J 8 | 33 32 s 2H | 28 27 m 4H | 22 21 hept 1H J 59 | 20 19 ddt 2H J 58 77 125 | 17 16 ddt 2H J 59 77 125 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1nsc(NC(=O)c2c(O)cc(C)n(C)c2=O)n1 | ir: 6 3 0 2 4 2 1 3 4 3 1 4 4 2 1 3 4 2 1 3 4 2 2 5 4 2 2 4 6 9 11 6 5 3 4 5 3 2 2 6 7 2 3 5 3 1 2 4 3 0 3 5 3 4 9 31 19 5 4 4 5 1 3 4 3 2 3 4 2 1 4 5 2 4 7 6 3 3 5 8 14 11 7 9 13 9 4 3 2 2 4 3 2 2 3 3 1 2 4 3 2 2 7 6 2 3 6 3 1 2 4 5 9 4 5 3 2 4 5 4 2 3 4 2 1 3 4 2 1 3 4 2 1 4 5 4 4 6 7 3 1 3 3 1 1 4 7 2 2 9 39 13 3 4 3 1 2 4 3 7 100 29 5 2 2 4 3 1 2 4 2 1 3 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 3 1 2 3 3 1 3 4 3 1 2 4 3 1 2 4 3 1 3 8 4 2 3 7 6 3 3 5 2 0 4 31 53 19 2 1 2 2 2 2 2 3 3 3 2 2 3 3 2 4 18 16 6 4 3 3 2 2 3 3 2 2 3 3 2 3 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 95 95 s 1H | 59 59 q 1H J 14 | 36 36 s 3H | 28 27 q 2H J 66 | 23 23 d 3H J 13 | 14 14 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CC(Oc1ccccc1)c1ccccc1 | ir: 1 1 1 1 1 2 2 1 3 2 4 3 2 3 2 2 2 1 1 2 2 2 2 2 1 1 2 3 4 8 12 13 18 19 13 1 2 6 9 11 81 33 23 14 7 5 3 6 5 0 2 9 1 0 1 2 1 0 1 2 1 1 3 7 7 9 12 16 21 42 25 22 7 8 9 4 3 6 12 7 4 2 4 3 3 1 2 2 2 16 3 4 2 1 1 1 4 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 5 4 2 2 2 1 2 2 2 1 2 3 1 1 2 4 3 9 49 16 14 12 4 6 10 27 87 27 7 8 2 3 5 9 16 33 10 5 1 2 4 2 4 1 2 1 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 1 1 1 0 0 1 1 0 0 1 2 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 5 4 4 5 15 16 15 12 15 26 100 27 27 10 24 10 8 12 9 3 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 74 72 m 7H | 70 69 dq 2H J 16 86 | 69 69 tt 1H J 14 73 | 60 59 ddd 1H J 84 114 167 | 58 57 m 1H | 55 54 dt 1H J 23 168 | 53 53 dt 1H J 23 112 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCCCCCCCCCOC(=O)c1ccsc1 | ir: 1 1 2 2 3 5 9 9 3 2 2 1 1 1 1 1 0 1 1 0 0 3 3 5 100 17 1 2 2 2 1 2 4 2 1 1 3 2 5 4 2 3 9 4 5 21 3 3 1 1 1 0 1 1 1 1 4 4 5 7 5 3 2 0 1 3 3 3 1 0 1 1 1 1 1 1 1 1 0 1 0 1 1 2 1 0 0 0 1 0 0 1 2 2 1 1 1 1 1 1 1 2 2 2 9 5 8 3 4 4 4 9 10 4 50 22 5 3 11 17 4 2 1 3 1 2 2 3 2 2 1 11 62 28 20 3 2 1 0 1 1 2 43 5 2 1 3 30 3 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 4 4 8 4 2 2 2 1 3 4 4 9 7 3 1 9 16 15 17 4 2 2 1 2 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 17 | 76 76 qd 2H J 17 55 | 44 43 t 2H J 61 | 18 17 tt 2H J 61 76 | 15 14 m 2H | 13 12 m 20H | 9 9 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cc(Cl)nn2cc(-c3cccc(F)c3)nc12 | ir: 5 4 3 2 2 2 2 4 3 4 2 2 2 3 2 3 25 54 13 3 2 2 2 1 3 2 2 2 2 4 4 4 5 4 11 14 3 2 2 2 2 1 2 2 2 7 13 11 13 13 6 2 2 2 1 1 2 5 3 8 15 5 19 11 9 9 9 5 6 4 4 4 10 6 35 7 4 3 3 2 3 5 3 3 3 2 1 1 2 2 2 2 2 5 2 2 2 2 5 10 3 4 2 2 2 1 1 1 1 1 2 4 4 2 2 2 1 3 9 20 9 13 0 2 3 2 3 2 4 2 1 2 2 2 2 6 30 3 8 4 16 6 4 5 100 14 6 1 2 47 2 5 6 2 2 7 10 4 2 3 2 1 6 3 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 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 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 3 4 3 3 7 16 22 23 42 41 32 32 8 4 4 3 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 80 79 s 1H | 77 76 m 1H | 76 75 m 2H | 72 71 m 1H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1c(Cl)cccc1OCC1CO1 | ir: 0 9 18 9 2 12 19 9 2 12 18 8 2 13 20 8 3 12 15 6 3 14 17 13 7 18 19 7 7 13 13 5 14 24 17 17 10 45 12 3 7 15 17 23 22 22 96 96 19 21 11 1 10 25 12 3 9 18 10 2 11 19 14 5 10 17 11 8 14 23 15 9 17 17 15 12 20 15 7 5 24 25 11 5 13 13 5 5 13 13 7 12 21 14 4 7 15 15 7 7 14 11 9 15 17 11 2 8 16 10 1 8 17 9 1 9 17 9 1 18 20 10 4 11 15 8 4 11 16 11 10 23 18 7 4 11 13 10 23 36 22 13 7 13 13 7 10 14 12 5 6 15 13 7 18 30 24 17 9 15 10 2 8 16 10 2 8 15 9 2 8 16 9 2 9 16 8 2 10 15 7 2 15 17 7 3 11 14 7 4 11 13 6 5 12 13 6 5 12 12 5 5 12 12 5 6 13 11 4 6 13 11 4 7 14 10 3 7 14 10 3 8 15 9 3 8 15 9 2 9 15 8 3 9 14 8 3 10 14 7 4 10 13 7 4 11 13 7 5 11 13 6 5 11 12 6 6 12 11 5 6 12 11 5 6 12 10 5 7 13 10 4 8 13 10 6 8 14 10 10 16 13 11 13 17 22 28 73 100 36 23 5 14 18 9 4 10 14 8 5 11 13 7 5 11 13 7 6 11 12 6 6 12 12 6 6 12 11 5 6 12 11 5 7 13 10 5 7 13 10 4 8 13 10 4 8 14 9 4 8 14 9 3 9 14 8 4 9 14 8 4 10 13 8 5 10 13 7 5 10 12 7 5 11 12 7 6 11 11 6 6 11 11 6 6 12 11 6 7 12 10 5 7 12 10 5 8 13 10 5 8 13 9 4 8 13 9 4 9 13; 1HNMR: 73 73 s 1H | 73 73 m 1H | 69 69 dd 1H J 26 68 | 43 43 dd 1H J 32 114 | 41 40 dd 1H J 32 114 | 34 34 p 1H J 30 | 29 29 dd 1H J 29 77 | 28 27 dd 1H J 28 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=c1[nH]c(Cl)cc2c(C(F)(F)F)cccc12 | ir: 0 1 1 1 1 1 1 1 1 1 1 1 0 9 0 1 1 1 2 1 1 1 1 1 1 1 0 1 1 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 100 2 1 1 1 2 19 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 2 2 0 1 1 1 1 1 1 1 1 1 1 3 12 1 1 2 6 2 1 1 1 1 1 1 1 1 5 15 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 3 7 5 2 2 9 20 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 0 1 1 1 0 1 1 1 0 1 1 1 2 4 14 10 12 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 11 28 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; 1HNMR: 97 97 s 1H | 79 79 m 1H | 79 78 dd 1H J 14 79 | 76 75 s 1H | 75 74 dd 1H J 79 109 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CCCO | ir: 14 2 5 8 17 9 5 4 7 9 9 7 0 5 9 8 3 9 12 5 5 9 10 5 11 13 14 6 17 23 30 41 20 6 14 5 8 4 5 5 9 8 10 17 19 11 24 8 17 12 21 39 25 11 12 2 2 3 1 2 11 39 17 8 4 1 4 12 30 19 100 17 2 2 2 5 1 9 5 4 1 1 1 3 1 6 63 4 9 12 5 7 22 13 3 3 17 23 76 42 10 16 6 3 12 51 19 12 31 5 6 3 8 9 8 9 19 17 13 25 38 23 15 7 5 3 5 4 2 7 12 4 1 9 2 16 4 3 2 0 2 3 28 9 6 5 70 17 19 2 1 7 4 2 2 0 25 2 3 3 2 1 1 1 1 1 0 1 1 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 1 2 1 4 4 9 4 3 2 4 2 3 11 34 18 10 61 35 10 23 90 49 21 22 3 4 1 2 1 1 1 1 1 2 1 2 1 1 2 2 6 3 10 56 89 6 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dq 1H J 11 68 | 74 73 m 5H | 63 62 dq 1H J 15 67 | 55 55 s 1H | 43 43 t 2H J 8 | 39 39 t 1H J 58 | 38 37 t 2H J 68 | 37 36 q 2H J 62 | 23 23 t 3H J 13 | 19 18 p 2H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(CC(=O)OC1CC(C)CCC1C(C)C)(NC(=O)OCc1ccccc1)C(N)=O | ir: 3 4 5 8 15 15 7 3 5 4 4 3 6 3 4 1 3 6 10 5 4 2 3 2 2 5 5 5 6 4 8 8 4 4 4 9 5 16 45 56 88 21 13 15 7 2 2 3 3 1 1 2 2 2 2 2 2 5 1 2 1 0 2 3 2 1 10 0 3 5 2 3 6 2 3 3 2 2 3 2 6 10 2 3 4 3 1 1 2 4 0 3 4 1 1 1 1 6 4 14 7 3 3 2 5 3 5 4 2 3 5 6 17 4 3 7 7 7 18 8 3 3 3 2 3 3 3 3 4 3 3 3 4 3 13 17 10 2 2 3 6 10 31 30 27 31 5 44 14 42 5 1 1 2 1 0 1 9 13 100 3 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 0 1 1 1 1 1 1 2 4 1 2 2 4 4 3 4 3 4 1 6 4 4 26 11 12 21 10 3 2 1 1 1 1 1 1 2 1 1 0 0 1 0 3 68 3 1 1 1 3 7 77 10 2 3 3 13 59 8 3 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 75 75 s 2H | 74 73 m 5H | 67 67 s 1H | 50 50 s 2H | 49 48 dt 1H J 55 77 | 43 41 m 2H | 33 33 s 0H | 31 31 s 0H | 20 17 m 3H | 17 16 m 2H | 15 13 m 3H | 13 12 m 4H | 9 8 ddd 6H J 15 68 110 | 8 8 d 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1c(C)nc2c(ncn2C)c1OCC | ir: 9 9 7 13 9 13 11 12 15 17 14 8 7 7 8 12 8 8 13 7 6 8 9 22 7 6 6 10 9 10 7 6 6 6 6 6 7 7 8 7 7 6 8 20 7 8 16 8 6 7 9 7 6 6 6 6 7 7 6 7 7 12 7 6 7 7 8 17 24 12 7 6 9 8 7 20 12 22 8 7 6 6 6 6 7 17 7 6 6 6 7 6 7 13 15 11 7 7 6 8 10 26 6 7 9 6 6 6 7 6 6 7 7 10 8 9 10 16 19 7 7 7 7 7 11 10 8 7 8 9 7 6 6 32 19 100 11 6 5 7 7 5 6 8 11 10 9 19 7 5 5 9 15 0 16 6 4 50 8 5 6 7 6 5 6 7 6 5 6 7 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 7 6 6 6 7 6 7 7 8 6 7 8 13 21 9 8 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 79 79 s 1H | 44 43 q 2H J 64 | 43 42 q 2H J 62 | 40 40 s 3H | 27 27 s 3H | 15 14 dt 7H J 63 212 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCOc1ccccc1-c1nc2sccc2c(=O)[nH]1 | ir: 2 1 1 1 2 1 2 2 2 2 1 2 2 2 1 1 2 1 3 2 2 2 6 1 2 5 5 2 2 1 2 1 1 2 1 1 2 3 3 6 1 10 12 40 74 84 9 8 3 0 7 100 17 4 4 6 1 0 2 4 2 1 1 2 6 1 4 2 1 1 1 2 1 1 3 4 7 1 2 2 1 1 2 4 3 1 2 2 3 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 4 3 2 3 3 2 1 1 2 3 2 2 2 2 5 10 3 2 2 1 2 3 4 9 7 6 4 7 66 4 2 2 2 3 5 2 2 2 8 4 3 16 5 2 2 9 2 5 1 2 25 23 9 61 11 2 4 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 1 2 1 1 1 1 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 8 3 2 12 26 14 20 20 5 2 1 2 2 1 1 2 1 1 1 1 2 1 2 4 3 2 3 5 6 11 26 5 3 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 dd 1H J 15 75 | 75 74 m 2H | 72 72 d 1H J 46 | 72 71 td 1H J 12 75 | 71 70 dd 1H J 12 81 | 42 42 t 2H J 53 | 20 19 qt 2H J 53 79 | 11 11 t 3H J 78 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ccc2c(c1)C=Cc1ccc(CO)cc1S2(=O)=O | ir: 4 11 1 5 5 9 19 4 4 3 3 8 8 1 4 3 4 2 3 1 0 9 3 1 7 3 1 2 1 1 1 2 1 2 4 1 2 3 4 0 1 1 8 2 1 2 1 0 1 2 1 1 2 2 14 3 3 2 1 0 1 4 1 1 8 6 2 0 6 0 1 0 1 1 1 1 1 1 2 2 9 4 21 7 14 13 8 12 3 3 4 2 4 3 2 4 7 26 4 2 1 2 6 3 1 1 1 1 6 2 0 1 1 3 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 7 8 1 1 1 1 4 3 1 1 1 3 3 8 11 5 6 14 4 1 1 7 3 4 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 3 9 21 16 10 3 3 1 5 4 11 100 16 1 5 1 3 2 2 1 2 3 12 1 2 2 1 1 1 1 1 1 1 53 13 2 2 2 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 dt 1H J 9 20 | 80 79 d 1H J 89 | 78 78 m 1H | 77 77 dd 1H J 7 84 | 74 74 m 2H | 70 70 d 1H J 21 | 70 69 dd 1H J 22 90 | 47 47 dt 2H J 8 55 | 43 43 s 2H | 25 25 t 1H J 56 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccc2c(c1)[nH]c1nc(C(O)c3ccccc3)nc(NCCCN3CCCCC3)c12 | ir: 5 6 5 31 12 9 3 3 8 4 6 7 3 4 5 7 3 4 3 3 2 9 8 13 11 5 7 7 4 5 9 9 3 8 8 5 3 3 4 4 7 24 13 46 24 5 2 2 3 4 2 3 2 2 3 14 9 6 3 4 2 2 3 3 3 2 3 18 3 4 3 4 4 2 2 3 2 2 2 3 2 11 5 4 20 3 5 4 35 9 8 6 4 3 2 6 6 2 2 3 6 3 4 3 2 43 7 2 3 2 6 7 10 4 4 3 7 3 3 4 5 8 10 3 10 3 2 3 3 2 4 2 2 3 5 4 2 3 3 3 2 4 14 16 3 30 2 6 4 1 3 5 4 8 62 8 4 3 100 2 2 3 2 1 4 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 7 7 12 46 9 9 3 3 6 10 13 23 10 0 3 3 2 1 2 3 2 2 3 4 5 9 8 39 58 35 4 14 3 2 3 3 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 83 82 d 1H J 21 | 82 81 d 1H J 82 | 80 80 dd 1H J 21 81 | 79 78 t 1H J 50 | 74 73 m 2H | 74 73 s 4H | 62 62 d 1H J 51 | 39 39 s 2H | 36 36 d 1H J 51 | 35 35 td 2H J 51 68 | 26 26 t 2H J 58 | 26 25 m 4H | 22 21 tt 2H J 58 67 | 16 16 m 4H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1(CC(=O)O)OCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 | ir: 1 2 1 2 1 2 3 5 5 2 4 9 7 11 6 4 12 8 17 18 98 46 17 15 8 4 1 3 2 5 4 13 16 10 7 8 8 13 8 39 16 6 5 4 5 7 5 6 5 4 2 2 6 28 20 7 2 4 2 2 2 1 2 6 2 4 13 22 8 8 2 4 5 3 7 2 3 7 7 28 5 3 4 4 4 10 3 8 9 7 2 2 1 2 3 2 2 4 3 3 3 2 5 3 3 5 3 2 3 1 2 3 10 5 2 2 2 7 5 6 9 13 5 4 6 4 3 2 3 2 2 10 22 17 14 30 10 3 2 2 3 8 8 100 9 7 8 13 0 3 2 1 2 4 7 8 14 3 2 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 4 3 2 5 3 1 2 2 4 3 3 20 6 20 74 24 9 3 4 1 1 1 0 37 20 3 2 1 1 1 1 1 1 1 1 1 2 4 6 14 20 16 14 7 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 96 95 s 1H | 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 71 70 d 1H J 71 | 70 69 m 2H | 51 50 d 2H J 9 | 41 40 ddd 1H J 38 58 112 | 39 38 ddd 1H J 38 57 110 | 35 35 d 1H J 174 | 33 32 d 1H J 174 | 29 28 m 2H | 25 23 dq 1H J 80 137 | 22 21 dq 1H J 80 139 | 11 10 t 3H J 79 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCOc1cc(CCC(=O)OC)ccc1-c1cccc(NC)c1 | ir: 22 25 12 29 14 8 27 20 13 16 22 6 6 11 11 3 8 8 6 3 9 10 11 6 8 3 2 1 2 8 3 7 4 4 3 1 2 3 5 2 4 7 4 3 1 4 5 20 31 11 2 1 2 12 28 16 5 0 2 3 5 5 6 3 8 9 7 12 32 53 18 12 16 11 8 5 3 1 3 2 2 4 3 2 2 2 2 5 5 18 5 23 4 3 2 6 5 8 7 4 9 12 3 11 21 38 5 5 12 21 6 15 25 10 20 7 8 11 9 7 13 16 15 17 16 12 8 10 8 8 3 5 8 6 6 9 7 1 18 52 79 75 15 85 87 33 12 6 9 27 6 3 18 37 14 4 15 5 3 0 17 10 2 58 56 3 2 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 1 0 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 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 1 1 1 3 3 2 4 7 3 4 3 4 6 4 2 10 19 20 24 34 100 79 38 9 3 6 4 3 1 2 3 1 0 1 3 3 1 4 4 16 17 29 33 27 72 20 63 48 11 3 7 5 1 2 2 1 2 3 2 1 1 2 3 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 d 1H J 83 | 74 73 t 1H J 77 | 73 72 ddd 1H J 13 22 77 | 70 69 ddt 1H J 8 17 83 | 68 67 m 2H | 67 66 ddd 1H J 12 21 77 | 50 49 q 1H J 47 | 41 40 t 2H J 64 | 37 36 s 2H | 29 28 m 5H | 27 27 td 2H J 8 83 | 19 18 p 2H J 66 | 15 14 h 2H J 69 | 10 9 t 3H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCN(CC)C(=O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1CCCc1nnn[nH]1 | ir: 0 6 9 5 3 4 9 3 4 6 9 4 9 7 9 3 0 5 7 3 2 6 7 5 6 5 6 2 2 9 11 6 2 10 12 1 4 7 10 5 8 21 9 8 6 18 34 100 8 15 7 3 7 9 49 5 20 35 22 58 8 11 4 1 5 10 8 8 15 20 10 3 7 10 3 1 5 6 5 3 6 7 3 1 6 5 3 6 8 11 5 15 8 8 1 5 9 8 5 6 8 11 12 17 12 7 3 5 15 6 4 6 10 7 6 14 8 13 3 9 13 10 9 7 20 7 8 7 7 4 2 8 7 13 7 12 14 9 9 26 11 9 2 8 7 24 7 13 14 13 5 10 13 14 21 59 11 7 6 16 6 3 3 6 5 1 3 7 4 1 3 7 3 0 4 7 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 6 2 1 5 5 2 2 5 5 2 2 5 5 1 2 5 5 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 0 3 7 3 0 3 6 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 2 4 8 6 4 5 8 5 3 5 12 8 4 22 12 15 96 32 10 12 11 15 8 6 4 4 6 3 1 6 8 4 3 5 6 3 2 5 5 2 2 6 6 5 18 54 22 5 4 7 5 3 3 6 4 2 3 6 4 2 3 6 4 1 3 6 4 2 4 6 4 1 3 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 3 1 3 6; 1HNMR: 74 73 m 3H | 73 72 d 1H J 83 | 72 71 d 2H J 11 | 69 69 dp 1H J 14 82 | 53 52 s 2H | 43 43 t 2H J 64 | 34 33 q 4H J 71 | 29 28 t 2H J 96 | 23 22 tt 2H J 64 96 | 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. |
COC(=N)c1ccn2ccnc2c1 | ir: 4 3 2 4 7 7 5 7 6 3 4 9 10 4 4 10 11 9 4 4 4 3 2 3 4 3 3 6 7 5 4 7 6 10 40 54 8 3 4 6 5 0 3 22 28 72 6 5 8 9 60 46 10 10 4 3 7 7 5 8 4 4 6 27 14 13 3 8 18 15 3 3 7 8 6 3 7 17 57 11 9 2 4 4 8 8 4 3 4 3 4 9 6 6 52 40 9 5 2 21 28 5 5 4 3 4 4 5 16 6 11 4 5 6 16 12 9 5 2 5 9 5 4 7 16 7 57 31 4 6 6 3 4 6 5 3 3 4 10 9 17 51 8 9 4 5 6 6 26 49 12 9 8 3 3 4 3 3 4 6 3 3 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 4 4 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 5 12 7 3 4 3 3 3 4 7 8 8 6 17 32 49 54 100 34 41 9 4 4 4 3 3 3 3 3 3 3 3 4 8 11 10 27 9 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 d 1H J 70 | 79 79 d 1H J 42 | 78 77 d 1H J 40 | 75 75 d 1H J 17 | 73 72 s 1H | 72 71 dd 1H J 13 69 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCC(=O)OCCCCC1(c2ccccc2)OCCO1 | ir: 19 7 7 8 8 4 4 3 3 3 4 7 3 3 4 4 3 2 3 5 13 6 4 4 4 8 4 10 3 3 12 50 12 7 3 7 23 15 9 19 28 64 5 8 8 4 7 5 3 0 2 4 4 9 16 11 5 2 4 4 3 3 4 16 9 10 8 28 33 26 34 10 9 7 3 6 11 8 7 3 2 1 2 3 1 1 2 2 1 1 3 6 6 7 12 6 1 12 19 10 36 10 2 2 16 21 37 11 13 17 14 16 16 12 15 19 38 32 11 10 19 19 11 14 17 14 14 8 6 5 6 12 5 10 16 36 9 6 6 4 6 3 12 83 68 27 11 4 3 4 4 2 8 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 4 3 6 6 8 10 8 9 13 6 9 7 14 10 27 52 16 39 100 32 11 9 5 6 2 2 4 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 75 74 m 2H | 74 73 m 2H | 74 73 m 1H | 41 40 t 2H J 57 | 40 40 m 2H | 38 38 m 2H | 23 22 m 2H | 22 21 t 2H J 78 | 18 17 m 2H | 17 16 pd 2H J 9 77 | 15 13 m 6H | 13 12 h 2H J 68 | 9 9 t 3H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=Cc1cccc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1 | ir: 0 2 2 2 1 2 1 3 2 14 3 9 19 5 3 4 1 3 2 2 1 2 4 2 8 16 4 2 3 7 12 31 17 17 31 4 4 5 3 13 6 7 68 11 16 7 3 42 10 4 5 3 2 3 4 2 2 2 2 10 10 3 3 2 2 1 6 8 6 10 5 5 5 2 2 3 15 6 3 3 4 5 2 2 3 47 3 2 2 2 2 13 2 13 9 1 2 2 2 18 7 18 3 4 33 8 1 10 3 3 6 30 21 4 1 2 3 6 4 4 7 21 5 5 3 2 1 2 5 1 0 2 10 3 3 2 3 8 4 10 15 9 5 12 3 14 5 3 10 14 3 2 3 2 13 7 3 3 3 9 4 6 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 4 2 1 1 1 1 1 1 1 2 1 1 2 3 5 6 25 100 36 18 6 0 3 3 2 0 2 2 1 1 2 2 1 1 1 2 1 1 2 4 2 4 5 22 29 15 15 2 1 4 6 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 84 83 m 2H | 81 81 t 1H J 21 | 80 80 d 1H J 21 | 79 78 m 5H | 76 75 m 2H | 75 74 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC1CCN(c2ccc3c(c2)CCC3=O)C1=O | ir: 1 1 2 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 2 2 2 2 1 1 2 1 1 1 1 0 1 2 1 0 1 1 1 0 0 1 1 1 1 1 2 1 1 1 1 2 8 6 4 2 1 1 2 2 3 6 1 4 5 3 2 5 11 3 10 3 2 3 24 4 2 2 1 6 4 1 1 0 1 1 1 1 1 1 0 2 1 1 0 2 2 1 0 1 1 1 0 2 1 1 0 2 2 1 1 3 6 1 1 1 1 3 2 1 4 2 4 4 11 3 4 1 20 1 1 2 3 25 13 3 2 1 0 1 1 0 0 1 1 1 10 12 2 5 1 8 4 0 1 1 1 0 1 2 5 2 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 1 0 1 2 5 1 3 6 5 2 1 1 1 1 1 1 1 1 2 3 4 6 7 5 5 1 6 2 5 100 22 3 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 1H | 73 72 m 1H | 73 72 s 1H | 41 40 tt 1H J 27 51 | 39 39 ddd 1H J 55 73 128 | 38 37 ddd 1H J 55 74 129 | 34 34 d 2H J 51 | 31 30 td 2H J 7 63 | 26 26 m 2H | 22 21 dddd 1H J 27 55 73 130 | 20 19 dddd 1H J 27 55 73 132 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCN(CC)C(=O)CCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12 | ir: 9 6 7 3 1 3 3 1 0 2 2 4 2 2 2 3 1 7 4 5 7 3 4 2 2 13 9 17 16 8 8 7 4 5 24 9 4 5 6 3 3 17 12 7 5 4 5 2 5 3 2 0 2 8 1 0 1 3 4 0 5 3 2 0 7 4 8 13 14 11 3 1 3 3 1 4 5 3 5 1 2 2 1 1 2 2 3 6 9 2 2 1 2 2 2 3 2 12 9 13 14 17 14 6 5 3 1 2 7 3 6 5 11 6 8 7 10 9 13 4 4 4 2 16 9 7 16 13 6 7 1 4 6 3 7 40 2 3 7 4 10 10 2 6 19 27 4 37 7 2 4 18 12 2 1 2 2 1 2 1 2 11 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 4 2 1 2 2 2 2 3 4 3 1 4 5 5 6 18 12 17 100 42 4 6 8 2 2 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 2; 1HNMR: 84 83 s 1H | 80 80 dq 1H J 9 19 | 75 74 dh 1H J 9 18 | 74 73 m 5H | 33 33 q 4H J 73 | 30 30 td 2H J 9 73 | 27 26 t 2H J 73 | 12 11 t 6H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H]1C(=O)N(CCC(C)(C)C(=O)O)CCN1C(=O)OCc1ccccc1 | ir: 3 2 1 2 0 2 3 3 1 1 3 3 2 1 2 1 2 2 2 5 6 18 15 13 14 3 0 2 3 1 2 1 1 1 0 0 1 1 1 1 11 2 1 2 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 1 1 0 1 1 1 0 2 1 1 1 2 4 5 5 2 4 3 1 3 1 1 2 2 3 3 1 2 0 1 0 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 4 2 1 1 2 2 3 5 3 7 4 2 1 3 1 1 1 2 3 1 0 1 1 2 1 1 1 0 1 1 3 3 3 7 5 1 48 5 0 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 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 0 1 1 1 1 1 2 3 2 3 5 4 1 1 1 0 1 2 6 19 100 31 9 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 6H | 52 51 s 2H | 46 46 q 1H J 82 | 37 37 ddd 1H J 36 61 115 | 36 36 ddd 1H J 37 63 117 | 36 34 m 2H | 34 33 m 2H | 19 18 t 2H J 73 | 13 13 d 2H J 82 | 12 12 d 5H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ccncc1NC(=O)c1cccc2c1-n1cccc1C2=O | ir: 7 5 15 9 7 6 2 6 8 3 3 2 2 4 1 3 2 5 2 2 1 1 1 2 2 2 2 2 3 2 2 2 14 34 2 5 10 4 10 37 9 20 18 14 5 12 6 14 3 2 3 2 1 1 2 1 2 1 1 1 1 0 1 1 1 1 2 2 1 1 1 4 6 12 5 3 10 9 4 2 2 2 6 1 1 1 2 1 1 1 1 1 1 3 2 12 8 1 1 1 1 1 1 9 1 1 1 1 0 1 1 1 3 6 13 2 0 1 1 1 3 2 5 1 1 1 1 21 2 1 1 1 1 4 14 3 5 100 11 3 18 3 1 11 9 73 3 0 1 4 2 12 22 11 5 2 6 10 8 23 11 1 32 2 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 3 3 3 12 18 21 7 6 4 2 1 2 1 1 1 1 1 1 1 3 5 6 34 3 3 6 5 44 13 2 1 2 7 22 28 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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; 1HNMR: 95 95 s 1H | 88 88 d 1H J 14 | 81 81 dd 1H J 12 72 | 80 79 m 2H | 79 79 dd 1H J 17 47 | 78 78 dd 1H J 17 65 | 76 75 t 1H J 72 | 71 71 dd 1H J 46 64 | 67 66 d 1H J 39 | 47 47 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)OC(=O)N1CCC(C2Cc3cc(Cl)ncc3O2)CC1 | ir: 19 45 55 14 0 27 5 17 7 21 39 28 14 14 16 25 99 5 27 16 12 11 10 6 5 13 10 5 5 10 10 9 13 19 14 6 8 8 7 5 7 8 7 5 6 7 7 5 7 7 6 5 6 9 12 7 52 15 13 6 8 9 9 7 8 11 18 51 31 16 7 7 9 13 21 17 13 11 11 7 11 9 28 17 100 13 5 8 12 13 9 22 7 9 24 20 19 13 6 8 10 11 22 43 28 20 47 9 21 17 10 14 23 28 12 14 14 30 28 28 12 23 46 25 53 18 22 15 21 15 16 54 19 14 44 12 11 8 26 14 9 6 5 9 33 5 6 9 8 6 38 69 7 7 6 6 9 7 7 57 23 8 8 6 6 6 6 6 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 5 5 6 7 5 5 6 7 5 5 7 6 5 5 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 4 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 7 7 5 5 6 7 5 5 6 7 5 6 7 7 6 6 7 8 6 6 7 14 6 7 10 23 14 18 13 10 22 13 15 19 30 61 20 17 22 38 10 6 7 6 8 5 4 6 7 6 6 6 7 5 5 6 7 5 5 6 7 5 5 6 6 5 5 6 6 5 5 6 6 5 5 7 6 5 5 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 5 5 6 7 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7; 1HNMR: 80 80 s 1H | 72 71 t 1H J 9 | 51 50 hept 1H J 60 | 46 45 dt 1H J 49 68 | 37 36 m 2H | 34 33 m 2H | 32 31 ddd 1H J 9 49 146 | 30 29 ddd 1H J 7 47 145 | 20 19 m 3H | 17 16 ddt 2H J 61 88 119 | 13 13 d 6H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@H](C(N)=O)[C@H](N)c1cn2cc(C(C)(C)C)ccc2n1 | ir: 4 4 3 6 4 6 3 2 2 8 10 4 29 37 24 7 9 8 5 5 9 6 5 7 7 4 5 18 16 5 6 4 11 15 6 8 36 55 24 13 4 2 2 3 1 2 1 2 2 2 4 21 7 13 3 3 2 0 2 7 11 24 24 7 16 5 7 6 16 9 5 5 6 9 15 19 14 10 23 21 19 29 11 30 12 3 3 2 2 2 2 1 1 2 3 2 2 3 2 8 5 2 2 4 3 8 3 2 2 2 2 1 2 2 4 4 5 5 5 11 6 4 19 12 4 5 11 21 28 19 18 14 12 13 5 3 5 1 2 1 1 3 3 1 0 12 14 5 3 2 3 4 4 9 5 5 16 87 52 10 5 4 4 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2 3 4 4 5 8 9 4 4 4 10 23 15 39 7 6 3 3 2 2 5 5 7 19 21 8 31 30 12 10 4 32 13 4 1 2 2 3 3 11 100 7 3 1 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; 1HNMR: 90 89 d 1H J 14 | 80 79 t 1H J 6 | 74 74 d 1H J 85 | 74 74 dd 1H J 13 84 | 68 68 s 2H | 45 44 m 1H | 33 33 d 2H J 62 | 29 28 p 1H J 68 | 13 12 s 8H | 12 12 dd 3H J 15 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(F)ccc1Oc1cc(C#N)ccc1C(=O)Nc1cc[nH]c(=O)c1 | ir: 4 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 2 1 3 4 1 1 3 3 41 8 1 2 1 0 1 2 4 4 4 2 1 1 3 3 3 3 2 4 1 1 2 1 1 1 5 7 13 38 23 3 23 4 1 1 4 3 1 2 4 5 6 5 3 1 0 1 2 2 2 1 2 3 3 2 1 1 2 1 1 1 2 2 8 2 2 1 1 2 2 2 1 0 0 1 1 0 2 4 2 1 1 1 3 1 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 2 1 0 1 1 0 0 0 1 0 2 10 1 1 0 1 1 1 0 3 15 7 4 22 8 14 14 12 28 30 10 2 3 5 4 11 6 5 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 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 1 1 0 1 2 5 5 27 21 22 10 6 2 2 2 4 5 100 35 2 1 2 1 0 1 1 1 0 1 2 2 6 5 20 3 5 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 m 1H | 75 75 ddd 4H J 20 46 68 | 70 69 m 3H | 67 67 dd 1H J 21 122 | 61 61 dd 1H J 13 68 | 61 60 d 1H J 14 | 39 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cncc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)nc12 | ir: 2 3 5 5 12 3 5 2 3 5 15 9 5 11 21 71 10 6 11 9 3 4 5 3 7 6 5 7 2 4 3 1 2 5 4 2 4 10 7 10 92 15 9 5 4 4 4 6 13 41 17 0 53 39 65 26 20 15 9 3 6 21 3 2 3 3 3 4 5 5 3 2 2 3 2 2 14 6 4 2 3 3 3 3 12 39 11 5 2 3 4 4 5 70 26 27 18 5 3 4 3 3 2 4 10 12 3 5 12 8 41 14 33 16 4 6 6 7 3 4 6 9 9 6 6 12 3 12 67 34 41 3 5 5 32 13 5 2 3 3 3 1 10 31 6 53 19 16 15 9 4 4 28 6 3 4 7 7 100 6 2 2 2 3 5 49 4 4 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 2 2 5 4 7 3 4 5 4 4 4 6 19 24 30 67 85 58 8 12 9 6 3 3 4 4 5 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 89 89 t 1H J 19 | 86 86 dd 1H J 11 19 | 85 84 dd 1H J 19 87 | 80 80 d 1H J 88 | 73 73 td 4H J 77 88 | 49 48 ddd 1H J 19 36 54 | 38 37 m 1H | 37 36 m 1H | 26 25 s 2H | 22 21 m 2H | 21 19 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NC(OCC(F)(F)F)C(Cl)(Cl)Cl)c1ccccc1O | ir: 1 2 2 2 5 5 1 3 1 1 2 1 1 2 2 3 2 1 2 1 1 1 2 1 4 5 2 1 1 1 2 5 3 6 18 4 2 3 2 4 9 36 43 11 3 21 6 2 3 2 1 1 1 2 1 0 1 1 1 1 4 1 1 6 3 3 10 3 2 5 20 1 2 1 4 5 4 6 11 11 9 4 4 13 3 30 1 2 2 5 4 1 3 2 2 1 3 2 1 1 3 12 5 4 2 7 18 3 3 2 7 2 1 1 2 3 3 2 3 8 7 9 9 3 2 1 3 1 4 2 0 1 2 1 1 1 8 7 3 1 2 2 2 3 19 100 48 9 3 1 2 2 27 4 2 2 4 1 1 1 9 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 2 2 1 1 2 2 2 2 5 6 5 69 5 6 1 1 1 1 2 36 33 4 2 0 1 1 1 0 1 1 2 1 3 9 7 5 10 20 23 3 2 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 77 76 dd 1H J 16 80 | 75 74 m 2H | 73 73 td 1H J 15 79 | 70 69 dd 1H J 15 84 | 61 61 d 1H J 35 | 43 41 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O | ir: 5 2 2 3 1 1 2 1 1 1 2 1 1 1 1 1 1 2 4 1 2 2 2 1 1 5 4 14 1 3 3 0 0 7 57 100 5 1 1 4 2 0 1 5 17 0 2 2 2 1 1 3 2 2 7 13 4 1 3 2 2 7 5 1 1 1 1 2 2 4 2 2 8 1 3 4 1 1 2 4 1 3 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 3 1 1 1 1 1 2 1 1 1 2 2 2 10 3 4 4 7 22 47 8 7 1 3 2 1 2 2 4 3 3 3 5 6 2 2 2 3 10 2 1 7 3 52 53 1 1 2 6 6 2 4 5 2 2 2 5 1 1 2 7 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 2 2 1 3 7 10 9 20 59 24 12 5 3 2 3 2 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 m 2H | 80 80 dd 2H J 35 60 | 79 79 dd 2H J 35 60 | 76 76 dd 1H J 24 81 | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCC1(C(=O)OC)C(=O)Nc2cccc(C(F)(F)F)c2CC1c1ccccc1OC | ir: 5 5 4 4 4 5 2 4 8 18 5 2 2 2 2 2 2 2 3 12 21 7 3 2 2 3 4 3 1 2 1 2 6 8 7 6 14 5 8 9 2 38 22 100 7 2 9 19 21 4 2 4 2 4 1 1 1 3 1 1 4 7 3 10 11 2 1 1 1 2 5 7 2 7 3 3 3 3 1 1 1 3 1 2 12 6 2 1 1 1 3 10 7 28 11 13 3 2 11 99 41 4 0 2 2 5 1 9 2 2 1 8 37 4 5 3 2 36 10 4 5 4 7 6 4 3 2 2 2 4 3 6 28 8 2 5 6 21 5 27 3 2 9 6 18 29 2 5 12 8 24 50 7 3 2 2 1 1 5 18 15 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 2 1 1 1 1 1 4 4 2 2 6 5 4 5 15 14 14 59 48 9 5 9 1 6 4 7 2 2 1 1 1 1 1 1 1 1 0 2 3 8 5 13 15 18 15 2 2 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 91 91 s 1H | 75 74 m 1H | 74 73 m 2H | 72 71 m 3H | 70 69 dd 1H J 15 80 | 57 56 ddt 1H J 75 110 165 | 52 52 dq 1H J 13 165 | 50 50 dq 1H J 13 110 | 40 39 m 1H | 38 38 s 2H | 34 34 s 2H | 31 30 dd 1H J 73 176 | 29 28 ddt 1H J 14 75 157 | 28 28 dd 1H J 71 176 | 27 27 ddt 1H J 14 75 159 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Nc1cc(C)cc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1 | ir: 7 6 9 8 6 3 5 4 3 6 7 3 10 8 1 1 4 6 2 5 15 6 7 2 3 0 1 3 3 3 5 3 4 2 3 5 4 2 1 1 1 1 1 2 13 1 4 2 1 1 2 3 11 3 10 23 18 16 8 1 3 6 5 5 3 6 22 23 25 16 10 15 27 21 30 10 8 5 9 14 8 4 8 4 3 1 4 10 31 4 20 8 6 23 97 58 86 25 14 7 1 2 4 15 14 11 9 5 2 3 2 2 14 29 13 6 3 23 25 10 15 27 13 8 30 11 5 38 11 7 15 13 5 15 6 3 1 2 6 3 2 1 1 1 2 3 6 5 11 28 5 8 7 7 3 2 1 2 1 10 10 21 4 1 1 13 2 0 0 1 1 0 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 15 6 3 4 4 4 4 5 15 6 16 7 9 23 34 23 44 100 72 65 32 18 7 9 10 47 24 9 19 19 8 4 2 3 1 2 4 4 6 7 17 8 18 7 2 3 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 90 90 s 1H | 77 77 t 1H J 22 | 77 77 dd 1H J 16 46 | 75 75 s 1H | 75 75 m 2H | 72 71 m 5H | 60 60 t 1H J 46 | 48 48 s 1H | 27 26 dt 1H J 76 153 | 23 23 s 3H | 22 21 s 3H | 12 11 d 3H J 77 | 11 11 d 3H J 77 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
FC(F)(F)c1cc(Br)ccc1N1CCCC1 | ir: 3 2 1 1 2 2 5 5 3 1 2 1 1 3 4 4 4 3 2 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 2 3 4 1 1 1 1 1 2 2 3 2 1 1 2 5 35 36 12 0 1 2 2 8 8 9 2 1 2 2 20 32 2 2 1 1 6 6 1 1 1 1 1 1 1 1 3 11 13 3 3 9 30 15 12 7 16 6 3 4 3 2 7 42 5 2 1 4 7 4 4 12 5 4 1 2 2 21 4 3 3 2 8 18 18 6 3 3 5 2 1 1 3 1 0 1 1 1 1 1 2 1 1 1 1 1 0 3 31 25 4 0 23 21 3 0 1 13 7 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 4 2 1 2 2 2 2 27 4 8 100 26 12 6 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dq 1H J 9 20 | 74 73 dd 1H J 22 84 | 68 67 d 1H J 85 | 36 35 dd 2H J 18 62 | 36 35 s 2H | 21 20 p 4H J 20 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCNC(=O)Cc1cnn2c(=O)cc(-c3ccc(Cl)c(OC)c3)[nH]c12 | ir: 4 3 4 4 3 4 4 5 4 4 4 4 3 4 7 12 14 5 2 4 5 4 7 6 8 6 13 9 23 5 6 5 4 4 9 5 7 4 5 5 6 5 6 6 5 7 5 5 5 5 5 6 5 7 15 13 7 16 10 2 14 24 31 30 22 11 27 28 13 6 6 6 6 5 6 11 9 5 4 4 3 3 5 12 5 3 4 8 9 5 4 4 6 7 5 4 3 4 4 7 3 6 5 5 2 3 5 4 0 79 6 6 7 7 4 6 3 7 6 7 9 8 5 5 6 5 4 6 5 5 5 4 4 5 4 3 2 6 8 34 11 17 6 11 19 34 24 12 11 29 6 4 5 5 6 6 4 7 8 100 28 13 6 6 5 4 12 5 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 3 3 4 5 4 4 4 4 5 6 5 6 9 6 16 22 13 27 17 6 7 4 4 4 4 3 3 4 3 4 4 4 4 3 7 10 8 7 19 26 22 15 38 41 12 19 9 8 9 4 5 4 5 4 4 5 4 4 4 3 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 77 76 t 1H J 9 | 76 75 dd 1H J 20 82 | 75 75 d 1H J 82 | 73 73 d 1H J 20 | 68 68 s 1H | 67 67 t 1H J 39 | 59 59 s 1H | 39 39 s 3H | 38 38 d 2H J 9 | 33 32 qd 2H J 40 65 | 12 11 t 3H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC | ir: 1 2 1 3 2 3 3 2 2 3 3 7 18 22 33 8 3 1 8 19 28 10 3 5 28 14 5 2 2 3 3 9 5 6 3 1 15 1 1 2 1 1 1 2 1 4 1 1 2 4 7 3 3 2 7 22 11 12 5 1 4 3 1 2 4 3 18 31 22 16 9 10 4 3 3 4 15 2 2 2 1 2 8 7 2 3 2 1 4 2 1 1 1 2 4 4 3 3 15 1 1 1 2 1 1 6 0 1 1 1 1 1 4 2 23 13 9 3 4 3 2 2 4 3 1 2 3 5 18 6 1 1 1 2 4 10 2 1 1 1 0 2 3 3 2 1 2 2 39 6 60 9 11 9 6 13 11 8 3 4 10 1 6 3 1 0 1 14 2 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 3 3 6 7 2 24 100 13 7 4 2 2 2 1 1 1 1 1 1 1 1 2 2 1 3 8 8 4 3 6 17 38 34 26 5 4 3 0 0 1 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 s 1H | 85 84 d 1H J 27 | 76 76 s 1H | 73 72 dd 1H J 47 76 | 72 72 m 2H | 71 71 dd 1H J 21 77 | 43 43 t 2H J 49 | 39 38 s 3H | 38 37 t 2H J 49 | 34 34 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1cccc(Nc2ncc(Br)c(Nc3ccccc3)n2)c1 | ir: 2 3 9 3 3 4 8 6 4 3 3 3 6 5 4 9 14 11 10 9 21 83 100 44 26 9 6 5 8 9 20 5 3 3 5 3 3 3 4 6 22 32 7 9 4 4 4 8 16 4 2 1 9 15 14 3 92 14 7 9 3 0 3 4 3 4 5 19 17 9 3 3 2 2 3 4 10 7 39 11 14 10 8 6 3 8 6 5 3 2 3 3 1 3 2 2 3 15 15 5 2 2 2 4 8 23 34 6 4 2 1 1 2 2 2 9 3 6 2 2 2 2 3 3 7 14 6 3 2 3 4 2 2 3 12 2 2 3 5 3 4 17 11 6 22 12 36 2 30 8 8 44 80 15 61 39 57 10 13 2 3 10 34 7 20 4 4 2 2 1 2 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 1 1 1 2 1 1 1 1 1 2 2 1 2 2 1 2 2 2 1 1 1 1 1 1 2 1 1 2 2 2 2 3 3 4 5 6 54 36 12 5 5 3 2 3 5 62 75 27 3 3 3 2 3 3 2 3 6 7 8 15 24 34 91 42 19 15 4 2 2 3 2 2 1 2 2 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 90 90 s 1H | 87 87 s 1H | 79 79 t 1H J 22 | 78 78 ddd 1H J 12 21 79 | 77 76 m 2H | 74 73 t 1H J 79 | 73 73 m 2H | 73 72 ddd 1H J 13 22 79 | 69 68 tt 1H J 12 69 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(-c2ccccc2)nc2oc3c(Cl)nc(Cl)nc3c12 | ir: 0 2 2 1 0 2 2 1 1 2 2 3 18 2 2 2 1 2 7 11 2 3 2 7 2 3 2 1 1 8 11 3 1 3 2 3 5 7 6 23 74 5 15 1 3 3 2 2 1 2 1 0 1 2 3 1 6 2 2 0 2 3 2 3 9 7 4 4 6 11 17 9 3 3 3 5 2 2 5 1 2 2 2 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 3 3 11 2 1 1 2 1 1 1 1 2 3 100 6 5 3 4 13 7 3 1 5 14 11 2 4 3 5 3 3 7 1 1 4 19 35 2 3 23 1 2 10 17 1 3 2 2 19 19 4 37 8 2 2 9 29 3 4 4 2 7 7 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 2 5 6 6 10 25 15 10 5 4 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 80 79 m 2H | 76 76 s 1H | 75 74 m 2H | 74 74 m 1H | 28 27 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
FC(F)(F)c1cc(Cl)nc(-c2ccc(Cl)cc2)c1 | ir: 2 1 1 1 1 4 3 5 4 2 4 1 1 1 2 1 7 4 6 1 2 34 13 34 4 1 0 1 2 2 1 3 2 22 5 21 3 1 1 1 1 1 1 17 14 2 1 1 1 1 1 5 4 20 13 32 16 5 3 1 2 1 3 6 25 31 40 12 8 19 1 0 2 1 1 1 1 1 1 0 1 1 0 1 0 2 2 3 8 7 0 1 0 0 1 1 2 7 10 27 4 15 2 1 1 1 1 0 1 1 2 3 10 14 16 8 5 4 26 30 11 7 7 5 3 4 6 4 11 10 10 4 1 1 1 1 0 1 1 4 39 69 11 2 2 1 3 40 12 4 5 3 6 6 1 1 1 1 11 13 13 3 2 2 8 2 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 3 5 10 64 100 26 18 8 13 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 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 dq 1H J 9 19 | 78 77 m 2H | 74 74 dd 1H J 9 22 | 74 73 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1N(Cc2ccc(-c3ccno3)cc2)c2ccccc2C12COc1cc3c(cc12)OCCO3 | ir: 4 2 1 3 4 2 1 3 3 3 2 2 8 7 2 3 6 9 4 2 0 1 2 3 4 1 2 2 1 1 1 1 11 3 4 2 3 20 7 3 2 1 14 14 11 1 2 2 2 1 8 5 5 3 3 28 18 3 2 1 2 1 2 3 4 2 2 8 20 5 4 4 3 3 3 7 2 1 1 1 2 1 1 4 8 5 5 1 2 1 12 3 1 1 1 1 0 1 2 2 3 2 1 1 1 2 12 2 3 1 1 1 4 22 4 6 3 1 1 4 1 7 8 5 2 2 2 1 1 1 3 8 4 7 2 1 1 1 2 1 27 2 5 1 2 2 13 12 23 14 54 6 5 5 5 1 1 1 1 2 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 2 1 1 0 1 2 3 2 8 7 20 100 17 15 11 5 3 1 1 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; 1HNMR: 82 82 d 1H J 18 | 78 77 m 2H | 74 73 m 3H | 73 72 m 2H | 73 72 m 1H | 70 70 s 1H | 67 67 d 1H J 16 | 66 66 s 1H | 53 53 m 1H | 53 53 s 1H | 53 52 dt 1H J 9 126 | 51 50 d 1H J 115 | 48 48 d 1H J 113 | 43 43 m 2H | 43 42 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C1CCCCC1 | ir: 1 1 0 0 1 1 1 1 0 1 1 3 5 2 0 1 2 1 6 6 1 23 10 0 1 6 4 1 1 1 2 1 1 0 5 16 77 26 4 36 4 3 4 3 2 0 0 1 3 1 1 2 1 2 2 3 3 0 0 1 1 0 0 1 1 1 1 1 1 1 4 1 2 2 5 1 1 1 1 1 3 1 1 1 1 0 1 1 1 1 2 10 6 2 1 1 1 1 1 1 5 22 2 1 1 1 2 1 1 1 2 3 6 11 5 3 3 3 2 5 1 4 2 2 1 3 5 1 3 4 7 8 12 28 5 4 2 2 8 4 5 7 35 5 1 0 0 2 2 1 100 13 25 2 2 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 6 2 7 6 2 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 2 1 7 18 7 19 27 3 2 2 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 84 84 s 1H | 46 45 q 1H J 81 | 42 41 p 1H J 62 | 21 20 m 2H | 19 18 dddd 2H J 50 62 82 123 | 17 16 m 2H | 16 14 m 4H | 14 13 d 3H J 81 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)C1=Cc2cc(C(F)(F)F)ccc2NC1C(F)(F)F | ir: 7 11 13 7 11 15 16 10 9 9 9 11 14 60 13 11 12 14 28 26 9 36 100 48 21 18 11 13 11 9 8 8 8 8 8 7 7 9 9 7 9 10 16 22 22 10 9 6 7 9 7 6 8 22 20 43 8 7 7 7 8 9 7 6 7 9 7 7 11 13 13 6 9 10 7 6 10 43 54 16 8 9 15 12 10 8 11 13 20 11 8 8 8 8 8 10 27 28 34 49 21 28 21 8 8 9 8 8 9 7 7 10 12 10 39 11 17 20 16 16 10 9 8 11 15 13 16 14 9 8 7 8 8 7 7 8 8 6 25 9 8 7 10 8 8 8 9 0 63 8 9 12 27 15 9 8 7 10 7 8 7 7 7 7 7 18 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 8 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 6 7 8 7 6 7 8 8 8 9 11 16 28 24 10 8 7 8 8 8 7 24 43 27 7 7 8 7 6 7 8 7 9 9 11 11 34 46 13 8 7 8 8 7 7 8 9 7 7 8 7 6 7 7 7 6 7 7 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7; 1HNMR: 80 80 dq 1H J 18 95 | 78 78 t 2H J 20 | 77 76 m 1H | 72 71 d 1H J 77 | 49 47 qdd 1H J 17 96 114 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(O)Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1 | ir: 2 13 18 13 9 6 5 21 1 10 9 4 2 6 3 4 5 4 4 4 6 10 2 5 7 11 22 22 46 30 13 5 4 3 5 3 5 18 4 1 1 3 1 1 3 5 3 4 3 5 2 3 4 4 5 25 16 10 3 1 2 3 2 3 2 2 6 26 11 25 5 3 2 3 3 2 2 2 1 1 1 3 1 5 2 2 27 27 26 74 9 7 7 5 5 10 3 6 14 5 3 2 0 1 2 2 0 3 4 7 11 4 5 2 1 3 3 4 4 6 12 9 8 13 8 6 19 12 7 16 20 15 6 1 1 2 2 1 1 3 5 8 13 98 98 79 26 18 30 41 18 10 8 10 2 3 2 2 1 2 1 0 3 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 1 1 2 4 4 4 3 2 2 2 3 2 3 3 4 5 4 17 28 14 47 34 27 15 5 5 6 10 19 79 52 17 4 1 1 1 1 1 1 1 1 2 3 5 36 100 61 17 6 2 3 3 3 2 2 2 0 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 71 71 dt 2H J 9 88 | 68 68 m 2H | 54 53 t 1H J 49 | 44 44 td 1H J 59 74 | 42 41 t 2H J 44 | 37 36 m 4H | 36 35 dt 2H J 44 50 | 32 31 ddt 1H J 9 73 141 | 29 28 ddt 1H J 9 73 141 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1cccc(-c2nc(Cl)cs2)c1)OCC1CCCCN1CC1CCCCC1 | ir: 1 2 6 9 6 5 5 4 5 1 4 3 2 2 3 1 2 2 4 1 1 2 5 2 2 1 2 3 2 2 11 4 1 11 3 2 2 8 6 9 5 6 4 6 10 3 5 78 8 3 1 2 4 5 6 2 5 3 6 5 2 3 1 2 1 1 4 10 27 15 9 2 2 2 3 3 22 11 3 3 7 2 3 3 3 5 1 1 1 7 1 3 2 2 7 4 1 4 24 11 4 3 9 24 15 35 10 19 25 10 14 17 24 60 31 17 17 9 16 8 7 5 10 7 9 18 28 7 16 52 4 14 3 3 2 2 2 6 4 11 12 9 13 11 9 5 4 6 22 16 8 2 20 5 3 0 4 27 5 3 2 0 1 6 2 4 1 2 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 2 3 2 4 1 5 6 11 13 14 7 11 9 8 5 5 9 29 100 31 22 100 89 11 4 0 3 4 2 1 2 3 0 2 2 2 2 1 2 5 2 5 5 13 18 30 14 4 6 2 1 1 1 1 3 1 1 1 1 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 21 | 78 77 dt 1H J 19 79 | 75 74 m 3H | 73 73 s 1H | 43 43 dd 1H J 49 114 | 41 40 dd 1H J 51 114 | 31 30 tt 1H J 50 60 | 29 28 ddd 1H J 42 62 119 | 26 26 ddd 1H J 41 62 119 | 24 23 d 2H J 53 | 20 19 m 1H | 17 13 m 15H | 13 12 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCNCc1ccc(C(C)(C)C)cc1 | ir: 1 1 0 1 1 0 1 0 0 1 1 0 1 1 1 7 3 1 2 5 6 1 1 2 1 0 1 1 3 5 4 1 1 4 9 3 2 2 2 4 10 15 31 3 10 14 8 2 3 3 4 6 4 13 36 20 8 4 5 5 6 4 7 6 2 1 1 1 2 9 3 2 17 15 3 7 6 3 2 1 1 0 0 1 1 1 0 1 1 0 1 4 8 4 2 1 1 2 1 2 2 1 0 1 1 1 2 4 5 13 42 28 5 4 7 5 10 20 11 3 5 5 3 4 2 2 9 6 3 4 3 8 8 54 20 11 3 3 1 1 1 1 1 0 1 1 1 1 2 3 17 3 2 4 2 0 0 1 0 0 0 0 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 0 0 0 0 0 0 1 1 1 2 1 1 1 0 1 1 0 1 1 1 2 3 6 12 6 11 33 7 4 2 3 2 1 2 1 1 0 1 3 1 0 2 4 9 10 100 73 19 11 5 2 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 72 71 dt 2H J 9 75 | 39 39 dt 2H J 9 59 | 30 29 tt 1H J 42 60 | 29 28 qd 2H J 42 59 | 14 13 s 8H | 12 12 t 3H J 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(F)(F)CC4)C4CC4)c3n2)cn1 | ir: 3 3 3 4 3 4 3 4 4 5 2 5 3 22 7 2 4 2 1 2 2 1 1 2 1 4 2 9 36 9 8 5 16 24 8 5 5 4 5 3 9 5 3 2 7 17 12 21 10 2 1 2 1 2 1 2 6 5 5 2 1 2 1 2 2 4 3 2 4 11 2 3 2 2 2 1 1 1 1 4 5 1 1 1 10 3 4 6 3 2 4 5 7 15 4 5 13 2 1 1 3 2 2 2 2 3 2 6 3 3 2 1 4 4 11 8 16 8 30 7 12 5 16 9 4 6 6 4 2 2 2 2 2 3 8 7 3 3 1 2 6 6 3 10 22 21 15 12 8 4 5 7 100 4 2 1 4 7 1 1 1 2 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 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 1 1 0 1 0 1 0 1 1 1 1 1 1 3 2 2 2 2 2 4 3 1 11 7 4 6 1 2 7 13 3 1 2 1 1 0 1 1 1 1 1 1 1 1 2 3 4 5 3 9 30 50 37 7 6 3 1 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 82 82 s 1H | 82 81 d 1H J 82 | 80 80 d 1H J 75 | 77 77 q 1H J 6 | 45 44 dd 1H J 66 73 | 40 39 qd 2H J 9 50 | 37 36 dtt 2H J 29 67 123 | 35 34 dtt 2H J 29 66 117 | 23 22 tt 4H J 66 142 | 21 20 dt 1H J 59 65 | 14 13 t 3H J 50 | 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. |
CN(C(=O)N(Cc1ccccn1)C(=O)c1c(F)cccc1F)c1ccc(SC(F)(F)F)cc1F | ir: 6 4 2 3 3 4 5 4 4 4 2 3 2 3 3 2 9 5 10 3 2 6 10 5 4 4 5 12 3 3 7 2 3 3 3 3 3 6 20 31 10 25 5 2 3 5 5 61 8 4 6 5 3 2 7 29 5 6 3 3 2 2 3 2 11 3 7 16 3 6 3 2 2 3 2 3 4 3 2 3 3 3 3 5 51 12 5 2 3 9 7 3 7 3 3 10 43 4 5 4 3 3 3 2 3 6 5 4 2 2 3 2 2 3 3 2 3 7 2 3 4 4 4 2 2 2 2 2 2 8 8 4 6 9 46 10 14 8 16 27 8 5 4 16 13 1 7 29 51 4 6 11 27 89 12 2 40 0 4 6 3 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 3 3 5 7 6 10 20 100 42 14 6 2 4 6 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 85 84 dd 1H J 18 42 | 78 77 td 1H J 17 76 | 76 74 m 3H | 73 72 m 2H | 72 71 m 3H | 49 49 d 2H J 9 | 34 34 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCN(c2cccc(Nc3nc4c(Oc5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 | ir: 18 10 12 18 26 14 10 8 2 52 57 41 100 29 25 7 4 5 3 4 2 4 4 2 4 6 23 6 6 6 10 5 7 12 44 71 16 44 9 3 2 2 5 1 4 3 13 41 15 6 8 3 7 6 7 35 62 14 12 2 3 8 3 5 12 49 44 32 22 8 9 4 4 3 3 5 3 6 9 6 18 7 14 59 46 22 56 12 8 15 60 43 38 77 74 26 10 19 21 9 8 13 2 3 7 22 5 4 4 7 3 14 27 4 4 5 11 8 7 12 8 7 8 56 68 27 14 22 6 4 2 8 7 2 1 2 3 2 3 15 7 7 36 4 5 5 16 18 15 43 3 3 3 10 1 3 3 5 2 4 3 18 3 2 8 4 2 4 2 0 1 4 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 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 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 3 0 4 36 5 5 3 3 4 6 7 6 5 2 4 6 6 22 100 74 31 68 66 29 8 9 5 5 2 1 3 3 2 1 2 2 2 1 1 2 2 3 3 4 4 5 15 15 6 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 92 92 dd 1H J 13 79 | 85 85 s 1H | 77 77 m 2H | 74 74 dd 1H J 77 86 | 73 73 ddd 1H J 13 22 79 | 72 72 dd 1H J 71 79 | 72 71 m 3H | 70 69 t 1H J 21 | 66 65 ddd 1H J 11 21 71 | 33 32 m 9H | 29 28 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1ccc(Nc2c(C(=O)O)cc3ccncn23)c(F)c1 | ir: 3 4 4 2 4 6 15 10 4 5 4 6 7 9 23 16 10 5 4 8 6 19 76 51 100 43 21 13 15 6 1 2 9 3 15 17 53 33 10 8 7 13 7 4 3 4 5 2 2 3 17 4 5 9 9 11 12 4 1 1 4 3 3 2 3 7 18 4 4 6 3 3 5 10 4 8 16 73 47 9 4 3 2 3 6 11 5 5 2 2 3 3 2 3 2 3 2 13 39 7 2 11 6 2 2 1 2 2 6 25 23 6 4 11 30 19 6 4 5 11 13 13 3 1 0 1 4 3 3 60 11 5 42 6 2 3 3 4 7 3 5 2 1 5 3 1 1 7 2 7 6 4 4 4 1 13 13 2 36 40 5 5 5 41 10 1 2 1 0 1 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 1 0 2 2 1 3 19 10 12 10 24 38 16 8 2 3 3 4 6 74 18 9 3 0 2 3 1 4 4 4 7 14 9 22 32 86 22 8 4 5 1 1 3 3 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 d 1H J 37 | 94 93 d 1H J 13 | 86 86 dd 1H J 16 81 | 76 76 d 1H J 80 | 72 71 dd 1H J 47 86 | 71 71 dd 1H J 21 86 | 70 69 dd 1H J 22 121 | 65 65 s 1H | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1cccc1C(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1 | ir: 6 2 1 1 9 4 3 5 2 1 1 1 2 5 2 2 3 3 2 5 8 10 4 3 2 3 2 4 6 6 2 1 4 3 2 3 6 5 8 19 100 41 8 7 3 2 3 2 4 1 1 1 1 2 5 5 2 1 1 1 2 2 4 3 3 3 4 2 2 9 16 5 6 3 12 6 1 0 1 2 3 4 32 4 2 2 3 1 1 7 15 3 4 4 3 1 1 2 1 3 10 6 2 1 1 1 1 1 1 3 3 3 3 7 6 6 8 2 5 3 4 4 5 3 7 3 2 4 2 3 3 1 4 5 2 2 10 6 4 1 3 2 4 9 41 17 6 13 6 2 38 9 31 2 1 9 7 6 2 16 33 2 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 5 15 13 22 17 18 18 14 7 3 0 1 1 2 0 1 1 1 0 1 2 1 1 1 1 2 1 1 4 9 30 6 1 2 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 d 1H J 44 | 77 77 t 1H J 52 | 72 72 m 1H | 71 71 m 2H | 66 65 dt 1H J 9 20 | 63 62 dd 1H J 49 66 | 58 57 m 1H | 57 56 dtt 1H J 17 34 88 | 47 47 dq 2H J 12 49 | 41 40 ddq 2H J 11 35 48 | 39 39 d 3H J 7 | 37 36 d 2H J 11 | 24 23 m 4H | 16 15 dq 4H J 48 60 | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc2c(Cc3cc(OC)c(OC)c(OC)c3Cl)cncc2c1O | ir: 5 10 6 5 11 26 12 38 67 31 36 96 27 45 6 31 28 10 15 18 100 57 18 12 17 8 5 4 6 3 3 5 4 3 5 3 3 3 2 3 3 2 3 4 2 3 5 4 7 6 9 7 6 3 12 15 5 1 19 72 28 62 29 15 18 35 28 56 24 35 15 11 10 10 14 27 15 13 13 42 6 15 16 14 37 46 15 9 12 15 10 6 10 10 6 12 56 14 29 21 17 3 2 7 8 18 16 10 6 10 12 12 18 25 20 40 2 12 7 7 7 6 4 4 5 5 5 6 10 3 5 5 5 5 5 3 2 4 6 4 4 3 3 5 73 4 6 2 1 29 3 8 3 15 7 5 3 23 7 4 31 28 4 3 4 2 19 17 3 3 2 2 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 5 3 3 3 3 3 5 3 4 4 3 6 13 6 15 24 23 53 37 36 14 5 6 9 19 30 32 0 4 5 1 0 3 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 1 2 2 2 1 2 2 2 1; 1HNMR: 91 90 d 1H J 17 | 89 89 s 1H | 84 83 q 1H J 11 | 75 75 d 1H J 87 | 69 69 d 1H J 90 | 66 65 t 1H J 9 | 42 41 q 2H J 63 | 40 40 d 2H J 9 | 39 39 s 2H | 39 38 d 6H J 18 | 15 14 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(Cl)c(Nc2ccccc2C(N)=NO)c1Cl | ir: 5 4 7 14 6 6 3 6 4 4 4 5 4 6 8 10 7 5 5 12 16 22 17 23 12 11 20 15 8 9 5 2 3 4 4 6 4 9 4 2 2 2 2 3 1 2 4 0 72 3 3 4 8 19 3 1 2 1 1 2 2 2 4 5 2 1 3 3 4 5 4 2 1 1 2 1 1 3 3 1 1 3 3 3 4 6 9 6 16 14 7 11 6 5 4 3 6 3 2 5 6 6 3 3 10 3 2 4 3 2 7 11 4 1 2 1 2 2 1 1 1 1 1 2 2 1 1 2 2 26 2 1 1 1 1 2 2 1 1 2 4 8 36 2 5 9 3 5 2 3 13 3 1 3 2 1 1 13 2 6 22 3 3 1 2 3 2 2 13 47 9 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 4 3 2 3 1 2 1 1 1 3 2 0 3 3 3 5 6 4 7 6 19 39 11 1 84 9 16 26 100 10 6 6 8 22 27 68 9 5 4 4 2 2 2 2 3 3 5 5 10 6 3 4 1 1 4 2 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 s 1H | 75 75 dd 1H J 16 75 | 73 73 td 1H J 15 78 | 72 72 d 1H J 70 | 71 70 td 1H J 14 77 | 70 69 dq 1H J 10 70 | 69 69 dd 1H J 14 79 | 59 59 s 2H | 23 23 d 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)N1CCN(c2ccc(N)cn2)CC1 | ir: 6 4 3 9 7 5 3 4 10 4 5 6 4 3 3 4 1 2 1 3 4 3 1 1 1 1 1 1 1 1 1 2 1 2 2 4 3 3 1 1 1 1 1 1 1 0 0 1 1 1 1 1 6 6 6 4 1 1 2 1 2 3 1 1 1 0 1 1 1 1 3 1 1 1 1 1 0 0 2 6 3 4 2 2 2 0 2 1 3 2 3 3 1 1 1 1 1 0 2 2 1 1 3 2 2 1 2 3 2 1 5 3 3 2 2 1 1 3 2 5 4 2 6 2 1 1 3 3 2 2 2 1 1 2 1 2 1 3 2 9 12 16 4 1 1 1 1 1 2 3 8 12 14 5 5 4 20 31 9 4 1 1 3 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 0 1 1 1 3 2 5 5 2 12 5 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 2 34 2 1 0 0 0 0 1 1 4 9 100 63 42 3 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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; 1HNMR: 81 80 d 1H J 19 | 69 68 dd 1H J 19 85 | 67 67 d 1H J 85 | 41 40 q 2H J 66 | 40 40 s 2H | 37 36 ddd 4H J 7 45 56 | 36 36 m 4H | 12 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc21 | ir: 3 4 3 3 3 5 3 2 3 5 4 3 3 2 5 4 1 2 3 4 1 4 3 3 3 6 4 3 2 4 6 3 3 3 6 3 3 18 12 17 4 6 3 12 3 16 4 2 3 5 3 2 3 4 9 19 13 7 2 0 3 7 4 2 3 4 14 1 13 7 4 1 16 35 12 5 23 5 5 2 16 4 2 1 2 3 1 5 5 48 4 7 3 3 2 2 3 3 0 3 20 10 1 6 17 12 80 9 4 2 2 7 8 13 5 5 4 5 10 14 9 4 4 9 11 30 14 25 16 35 33 29 10 11 9 29 2 3 3 1 1 3 3 6 24 24 28 4 14 4 4 5 3 4 4 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 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 1 2 2 1 2 3 2 2 2 3 3 3 2 5 3 2 3 3 5 17 15 15 8 100 25 12 4 3 4 3 8 6 21 37 27 26 14 6 6 3 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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: 92 92 s 1H | 79 79 d 1H J 74 | 77 76 m 2H | 75 74 m 2H | 74 73 m 3H | 50 50 s 2H | 35 34 p 1H J 54 | 20 19 m 2H | 17 14 m 9H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(Br)n1 | ir: 6 4 4 3 1 18 0 4 5 4 3 3 4 3 2 4 6 3 2 3 3 2 3 3 3 4 3 10 6 7 10 10 15 22 16 7 6 4 2 5 73 100 17 8 8 4 6 10 64 6 3 12 4 1 3 5 5 2 9 11 3 3 10 6 7 5 3 4 2 2 3 5 3 2 5 11 21 3 4 10 5 4 4 4 6 4 4 3 2 3 5 4 2 2 3 3 2 3 4 4 6 3 4 5 9 11 10 14 5 9 8 11 6 7 7 5 4 3 5 4 5 7 6 5 17 9 5 8 7 30 9 7 7 40 36 6 5 4 4 4 2 4 4 4 6 34 64 21 4 4 5 5 4 6 14 4 4 12 3 3 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 4 3 3 5 5 5 6 6 11 8 6 8 17 6 9 34 22 5 5 7 4 2 3 4 3 2 3 4 3 3 3 5 4 4 4 4 3 4 21 29 36 14 6 6 3 3 3 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2; 1HNMR: 80 79 dd 1H J 12 78 | 76 76 m 1H | 75 75 dd 1H J 11 79 | 75 74 d 1H J 71 | 40 40 dt 1H J 57 71 | 19 18 m 8H | 17 16 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)[S@@](=O)/N=C/C1(NC(=O)OCc2ccccc2)CC1 | ir: 5 6 0 2 2 1 0 2 2 2 2 1 1 1 0 1 1 1 4 2 3 1 0 1 1 2 2 8 9 5 11 31 5 8 7 3 3 10 3 19 22 9 2 3 11 1 1 2 1 1 1 3 2 4 6 3 2 2 3 1 1 3 1 2 1 1 8 60 6 4 4 1 1 0 1 1 1 0 1 2 1 12 1 1 0 0 2 25 5 5 1 0 1 1 2 2 1 2 2 1 0 1 1 1 0 1 2 1 0 10 6 1 1 1 1 3 14 3 0 5 3 6 2 1 0 1 2 1 1 3 2 1 1 3 21 14 16 2 2 1 1 3 6 31 28 14 14 0 1 100 5 17 6 6 6 2 2 0 2 1 2 1 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 1 1 1 1 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 4 3 5 10 5 13 22 11 8 13 3 9 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 12 31 2 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 75 p 1H J 9 | 74 73 m 6H | 57 57 s 1H | 50 50 s 2H | 16 15 m 2H | 14 13 m 2H | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCC(CNS(=O)(=O)c2cc(Br)cnc2N)CC1 | ir: 7 9 3 8 17 7 8 5 5 8 6 8 4 10 5 9 1 5 2 3 8 4 4 1 5 5 3 2 5 3 5 3 2 6 4 12 33 41 53 18 21 12 12 11 4 11 10 2 3 1 2 2 8 6 16 28 16 6 5 21 12 9 11 9 20 25 40 19 4 3 5 3 4 5 7 6 8 2 3 9 18 5 8 5 3 6 25 21 9 6 3 3 2 2 2 1 3 11 19 17 9 18 24 31 7 36 19 7 11 4 5 6 7 2 2 2 3 2 2 7 3 1 2 3 1 4 3 3 1 2 24 14 6 3 4 2 2 1 1 1 2 2 3 3 6 11 69 8 6 3 5 17 23 82 35 23 6 4 16 5 2 1 2 2 1 0 1 1 1 0 0 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 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 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 2 2 2 2 4 4 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 6 37 11 31 100 29 2 1 1 1 0 1 7 87 73 9 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 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 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 16 | 82 81 d 1H J 16 | 71 71 s 2H | 64 63 t 1H J 76 | 30 29 dd 2H J 49 77 | 27 26 m 4H | 23 22 s 2H | 19 17 m 4H | 16 15 dddd 2H J 54 63 84 126 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(OC)(c1cccc(OCc2cc3ccccc3n(C)c2=O)c1)c1nccs1 | ir: 1 1 2 2 2 3 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 10 0 1 2 5 3 1 1 1 2 1 2 2 16 44 10 3 2 4 20 27 11 5 2 2 3 5 1 2 3 2 2 1 6 4 3 1 2 4 9 7 6 4 9 2 6 5 11 3 2 1 3 2 5 2 3 1 7 54 6 4 1 1 2 1 2 4 2 14 3 2 3 1 2 2 4 3 1 2 2 3 13 3 3 1 1 2 3 2 7 9 8 16 8 5 3 4 7 3 5 8 12 19 5 1 5 2 3 4 16 5 1 7 22 5 1 2 5 2 0 0 1 2 3 1 5 5 1 8 5 3 1 1 1 3 2 5 7 1 1 1 1 1 0 1 2 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 3 2 3 4 2 4 2 5 4 12 30 7 14 100 33 11 7 7 2 1 1 2 1 0 1 1 1 0 0 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 t 1H J 13 | 77 77 dd 1H J 13 82 | 77 77 d 1H J 31 | 75 75 td 1H J 14 76 | 74 73 m 2H | 73 71 m 3H | 69 69 ddd 1H J 12 21 75 | 68 68 t 1H J 21 | 51 51 d 2H J 13 | 37 37 s 2H | 32 32 s 2H | 25 24 dq 1H J 77 154 | 23 22 m 1H | 11 10 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2ncnc(Oc3ccc(NC(=O)OCCC4CCCCC4)c(Cl)c3)c2cc1OC | ir: 2 3 13 4 14 4 3 1 3 4 3 2 2 1 2 3 8 7 4 10 16 13 13 12 5 12 7 4 6 9 8 5 21 12 30 18 23 13 9 4 6 12 4 1 3 5 2 3 4 25 35 5 11 8 11 20 28 2 3 2 5 4 4 2 9 9 14 29 43 12 6 10 2 4 3 2 1 2 2 1 0 1 3 7 11 3 1 1 1 1 4 2 2 2 6 4 3 11 35 51 7 1 2 3 1 3 7 12 15 11 6 5 9 5 5 3 6 7 6 2 4 2 5 5 4 3 2 3 1 7 3 1 2 5 13 14 3 4 2 2 2 8 23 46 10 4 3 3 100 29 27 24 15 22 12 8 50 16 3 1 2 2 5 0 1 2 1 29 2 1 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 3 3 2 3 1 1 2 2 1 3 17 13 9 13 75 58 6 9 4 2 2 1 1 1 1 1 1 1 1 1 1 3 1 2 1 2 8 7 47 20 28 9 5 2 1 1 1 0 1 1 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 76 75 m 2H | 75 74 d 1H J 22 | 73 72 m 2H | 72 71 s 1H | 42 42 t 2H J 61 | 39 39 s 2H | 39 38 s 2H | 17 16 dq 1H J 57 75 | 17 16 dt 2H J 60 71 | 15 14 m 7H | 14 12 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1 | ir: 5 4 6 7 3 7 9 7 13 7 9 4 2 1 3 3 8 4 5 5 6 5 6 6 4 6 4 3 1 3 5 4 1 3 2 12 6 3 3 3 3 4 2 1 2 4 42 66 4 1 3 4 8 15 5 2 2 1 4 6 7 3 2 3 5 8 8 3 3 3 3 2 2 4 1 1 3 2 1 0 2 2 4 7 77 100 4 3 1 1 9 18 4 2 1 1 15 6 2 3 3 3 2 6 6 5 2 10 6 1 1 1 2 2 4 4 7 3 9 14 12 5 1 1 11 4 2 2 4 2 7 16 11 5 10 14 6 4 13 13 6 3 1 2 2 3 2 13 9 4 1 1 1 0 0 3 2 1 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 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 2 1 1 1 2 1 1 2 1 3 9 2 10 18 22 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 11 46 50 12 6 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 78 dd 1H J 20 79 | 75 74 m 2H | 66 66 t 1H J 9 | 27 27 qd 2H J 9 67 | 26 26 s 3H | 13 13 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1nnc(-c2ccncc2)c1-c1ccc(O)cc1 | ir: 10 4 3 7 13 4 2 8 12 6 4 8 18 10 33 13 29 28 23 8 7 9 6 10 7 3 6 9 11 2 4 14 8 3 3 9 13 4 3 7 6 2 3 7 6 5 6 8 6 1 7 18 21 1 8 66 70 31 5 8 5 4 6 29 8 2 6 8 10 16 8 9 15 10 16 8 6 6 10 31 99 37 18 19 10 5 9 30 8 2 9 27 9 4 9 6 3 3 7 5 2 9 10 5 2 4 12 7 8 12 8 33 0 5 10 6 1 6 17 8 6 7 9 6 5 12 19 27 4 6 8 3 2 9 7 3 2 6 7 5 11 7 7 5 3 7 7 31 37 22 23 31 35 25 6 3 4 6 5 2 4 17 14 9 4 8 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 5 6 3 2 5 7 3 2 5 6 3 2 5 6 3 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 1 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 6 5 3 5 7 6 3 5 6 5 3 4 6 6 4 5 8 5 4 6 6 10 19 100 74 84 19 9 9 4 5 15 90 26 2 6 8 4 2 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 5 2 3 6 5 3 4 6 5 2 3 6 4 2 3 6 4 2 4 6 4 1 4 7 4 1 4 6 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 87 86 m 2H | 78 77 m 2H | 75 75 m 2H | 74 74 s 1H | 69 68 m 2H | 41 41 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCCCCCOc1ccc(CNC(=O)c2cccnc2N)cc1 | ir: 5 4 3 4 7 5 15 14 9 8 7 4 11 8 11 20 23 12 20 14 7 6 38 10 5 4 3 2 3 2 2 3 3 3 4 2 6 5 14 46 22 3 6 17 45 13 15 10 6 6 19 7 13 13 17 30 7 5 5 2 2 14 5 9 3 9 8 5 8 13 10 0 2 4 3 3 3 5 8 26 6 1 2 2 1 1 2 7 4 3 10 3 6 7 3 2 4 11 3 2 1 2 2 6 2 1 1 1 2 3 3 3 6 5 2 2 2 7 11 16 8 3 3 4 5 5 2 4 4 8 5 3 2 1 2 3 4 11 23 6 4 4 8 30 17 28 13 12 27 19 65 17 27 18 14 45 99 22 5 17 5 5 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 4 3 2 2 2 1 2 2 4 9 5 14 100 25 9 7 5 2 2 3 2 1 1 2 2 2 2 5 4 2 64 29 2 4 6 11 36 61 11 5 3 4 12 32 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; 1HNMR: 82 82 dd 1H J 21 43 | 80 80 dd 1H J 21 80 | 78 78 t 1H J 57 | 72 72 dt 2H J 9 88 | 72 71 dd 1H J 44 79 | 69 69 s 2H | 68 68 m 2H | 45 45 dt 2H J 9 57 | 40 40 t 2H J 63 | 34 34 t 2H J 61 | 33 33 s 2H | 18 17 tt 2H J 63 74 | 16 15 ddt 2H J 59 73 81 | 14 14 dq 2H J 70 82 | 13 12 pd 2H J 11 74 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Clc1cc2c(nn1)CCCCCC2 | ir: 2 4 5 3 1 4 5 3 1 6 8 4 15 23 7 3 1 6 8 3 2 5 29 5 3 4 5 8 4 4 4 3 3 5 5 3 4 6 8 5 4 6 9 4 3 5 4 9 4 17 5 3 4 7 5 6 5 6 4 2 4 8 3 0 7 3 3 41 6 5 5 3 4 4 3 2 4 5 3 2 4 4 3 3 4 4 3 2 5 7 6 7 5 4 3 4 7 6 5 3 5 4 2 3 5 4 2 4 6 11 9 32 10 9 0 6 5 6 3 8 6 8 4 6 7 3 4 11 6 6 3 10 30 5 3 5 5 3 3 4 5 8 7 7 5 3 6 6 4 2 3 4 4 2 3 5 7 18 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 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 4 4 6 5 7 5 7 6 3 6 6 6 10 13 8 12 100 8 7 3 2 4 5 3 2 4 5 3 3 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 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 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 74 74 t 1H J 9 | 29 27 m 4H | 22 21 tt 2H J 70 82 | 19 18 m 2H | 18 17 tt 2H J 73 90 | 14 13 p 2H J 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@H](O)[C@](O)(Cn1cncn1)c1cc(F)c(F)cc1F | ir: 3 4 1 2 1 2 2 3 3 1 0 1 1 1 2 2 2 1 2 1 1 0 0 1 2 1 1 1 2 0 0 1 1 1 1 5 1 7 8 5 2 0 0 3 2 1 7 18 1 3 1 1 1 2 3 6 3 2 1 1 2 4 3 3 1 1 4 10 15 14 4 7 3 1 2 3 4 4 9 6 27 20 4 4 4 5 4 8 9 3 11 4 7 4 9 5 2 6 10 4 4 2 2 2 1 1 1 1 1 1 2 5 9 5 2 2 6 6 3 2 4 5 2 3 6 5 4 1 2 4 11 7 2 2 4 8 2 1 1 2 4 1 1 0 0 1 1 4 1 1 1 1 13 10 3 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 3 2 2 3 2 3 2 5 6 7 5 6 4 2 15 18 18 100 14 19 7 7 4 10 11 94 16 4 4 4 1 1 1 1 1 1 2 2 1 1 1 3 1 1 1 2 1 2 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 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; 1HNMR: 82 82 dt 1H J 9 16 | 78 78 d 1H J 18 | 73 72 dt 1H J 41 122 | 70 69 td 1H J 42 121 | 51 50 dd 1H J 9 148 | 48 48 dd 1H J 7 148 | 47 46 s 1H | 46 45 qd 1H J 48 62 | 35 35 d 1H J 49 | 12 12 d 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)OC(Cn1cncn1)c1ccc(Cl)cc1Cl | ir: 4 2 0 11 4 7 9 5 4 6 4 2 3 2 1 3 4 17 3 7 3 2 4 5 3 1 1 2 2 1 1 2 2 1 2 2 4 9 10 44 10 1 4 8 15 35 10 4 3 4 2 3 3 2 11 7 5 2 2 3 4 12 5 2 3 10 7 68 27 15 9 5 2 1 7 5 2 1 5 7 1 3 6 5 2 1 3 3 1 2 4 5 3 38 10 33 3 3 45 53 6 20 11 7 2 4 9 15 12 3 6 5 6 10 6 4 3 5 5 5 12 18 13 15 3 7 8 11 3 6 8 5 2 4 5 4 2 2 4 1 2 4 37 9 2 3 2 3 5 14 3 2 13 3 2 0 1 3 2 2 4 3 2 0 1 3 2 0 1 3 1 0 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 1 0 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 5 9 4 3 4 3 3 8 4 15 15 13 14 10 10 8 5 4 23 100 25 79 17 13 5 2 6 5 1 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 82 82 dt 1H J 9 16 | 78 78 d 1H J 16 | 75 74 m 2H | 74 74 dd 1H J 22 86 | 62 62 td 1H J 7 50 | 46 46 ddd 1H J 9 51 148 | 44 43 ddd 1H J 9 51 147 | 21 21 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(C(=O)OCC(F)(F)F)CC1 | ir: 10 6 4 7 15 13 6 10 9 8 19 31 35 22 15 31 21 6 6 6 11 13 21 22 13 6 4 7 7 5 5 13 9 6 4 13 9 8 5 7 6 6 6 7 37 30 26 66 77 2 4 11 7 3 7 8 4 2 5 8 8 2 8 13 17 33 17 24 9 2 7 10 5 6 10 8 4 3 15 16 9 5 7 9 5 3 6 6 3 4 9 10 5 7 7 6 2 4 9 5 3 13 14 8 6 10 53 20 0 5 15 17 7 10 10 14 7 18 21 18 9 10 9 8 5 29 12 6 3 9 7 9 2 7 8 9 28 8 10 4 4 6 6 3 5 35 100 11 6 8 21 32 11 10 16 27 14 25 50 13 24 14 19 37 18 7 5 2 4 7 4 0 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 6 2 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 6 4 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 5 4 5 10 9 4 5 8 5 4 4 15 18 8 11 14 27 8 9 16 9 5 5 6 3 2 4 5 4 4 5 8 10 24 10 14 4 13 42 21 9 8 15 9 5 11 80 9 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2; 1HNMR: 100 99 s 1H | 83 82 t 1H J 49 | 80 80 s 1H | 78 77 s 2H | 74 73 dd 1H J 22 52 | 67 66 dd 1H J 22 122 | 48 47 d 1H J 130 | 47 47 d 1H J 130 | 38 37 ddd 2H J 27 54 119 | 35 34 ddd 2H J 27 54 119 | 28 27 s 2H | 24 23 ddd 2H J 26 53 136 | 22 21 ddd 2H J 27 54 135 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC | ir: 3 15 15 11 3 3 4 5 5 6 13 16 9 6 11 5 8 5 3 4 9 4 0 1 1 4 7 10 1 1 0 0 1 1 5 3 1 1 2 3 3 1 1 4 2 0 1 2 2 1 1 1 0 0 0 1 0 0 1 0 2 2 2 5 3 4 2 0 17 33 11 1 0 1 1 4 7 2 1 1 5 11 3 1 2 11 2 1 1 0 1 1 3 19 4 3 2 3 3 4 3 21 7 4 3 3 1 1 0 1 1 1 6 7 3 9 2 3 8 14 9 32 25 7 10 3 5 6 3 9 7 10 3 1 2 7 4 4 3 2 1 3 5 12 100 8 39 3 1 0 8 36 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 4 4 1 2 1 3 3 1 3 10 33 11 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 40 40 t 1H J 50 | 39 38 dd 1H J 49 110 | 37 36 d 5H J 135 | 36 35 dd 1H J 49 110 | 35 34 m 2H | 32 31 ddd 1H J 39 63 117 | 31 30 m 2H | 29 28 dt 1H J 67 126 | 26 25 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. |
NCCc1cnn2ccc3occc3c12 | ir: 6 8 2 9 0 2 2 4 10 13 1 2 2 2 1 2 2 6 27 6 4 10 3 2 2 2 1 2 2 1 5 2 5 16 3 4 2 2 2 3 3 11 4 8 21 100 9 5 3 1 7 28 31 87 25 14 3 2 2 4 7 2 4 4 3 3 2 8 7 2 9 19 80 74 19 5 2 4 4 6 6 21 31 6 3 4 4 3 2 1 5 3 4 4 12 4 4 39 0 2 3 2 2 10 13 12 7 2 1 2 3 2 6 2 2 1 1 2 2 1 2 9 8 4 3 3 4 7 12 17 43 6 2 34 10 53 26 8 9 5 4 5 68 63 6 25 2 3 2 3 2 8 3 3 7 8 2 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 5 3 2 1 1 3 2 1 2 13 11 0 4 15 17 6 77 34 11 6 5 2 3 2 3 5 4 22 54 18 10 5 3 6 9 53 38 3 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 71 | 82 81 d 1H J 11 | 76 76 d 1H J 9 | 71 71 m 1H | 71 70 d 1H J 73 | 32 31 tt 2H J 50 66 | 30 29 td 2H J 8 51 | 17 17 t 2H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 | ir: 8 4 8 7 4 8 11 4 5 11 10 11 9 6 5 4 1 4 6 7 7 8 9 9 7 6 6 5 3 7 7 13 18 10 10 4 6 9 7 1 2 5 4 1 3 13 5 47 20 20 8 6 4 5 4 1 3 5 3 1 2 4 5 10 22 18 6 5 13 6 3 3 5 6 3 1 3 5 7 3 5 6 4 4 4 100 47 3 4 3 1 2 4 4 2 2 7 12 2 4 4 12 34 20 29 7 2 2 5 3 1 3 6 8 6 6 6 5 4 11 16 8 4 6 13 19 3 4 4 10 14 14 11 16 6 12 9 7 35 34 6 4 3 3 4 6 29 26 5 2 3 6 4 6 24 22 11 1 2 5 3 0 2 10 4 1 3 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 2 2 3 3 1 2 3 3 3 3 4 3 6 11 4 34 51 41 18 8 0 4 6 2 1 3 4 2 1 3 5 2 1 4 4 2 2 5 5 9 10 7 53 96 55 47 10 3 4 4 4 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 94 93 s 1H | 77 77 m 2H | 76 75 tt 1H J 51 78 | 74 74 m 1H | 74 73 dd 1H J 73 81 | 71 71 m 2H | 44 44 q 2H J 64 | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)Cc1ccc(CC(NC=O)c2cccnc2)cc1 | ir: 11 8 9 15 3 5 5 4 2 3 6 30 6 4 5 3 3 4 7 6 3 9 14 17 83 25 18 14 7 4 9 4 3 34 83 23 11 0 2 7 8 1 3 5 8 2 4 7 4 2 5 7 7 11 39 51 42 20 8 11 10 21 36 28 17 6 11 36 6 6 17 44 7 4 5 7 3 3 14 8 7 7 5 8 7 4 5 5 5 5 8 9 6 10 65 46 9 14 13 9 5 7 20 8 17 36 3 6 7 11 12 17 31 8 12 8 11 13 32 19 33 17 12 17 17 73 29 24 18 9 13 7 7 5 3 5 5 4 27 43 27 18 81 53 61 18 8 25 27 24 13 6 19 19 22 65 4 7 20 53 6 5 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 4 3 5 10 5 4 4 6 7 7 6 10 21 7 93 100 68 30 12 6 6 3 6 5 3 3 5 4 3 2 4 5 6 4 5 8 8 29 61 33 40 23 9 5 6 4 4 3 3 3 3 3 3 3 4 3 4 4 4 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 86 85 td 1H J 6 18 | 85 85 dt 1H J 18 48 | 82 82 dd 1H J 18 70 | 77 77 m 1H | 76 76 dd 1H J 69 92 | 73 73 dd 1H J 48 80 | 72 71 dt 2H J 9 83 | 71 71 dt 2H J 9 83 | 51 50 m 1H | 37 36 s 2H | 36 36 t 2H J 9 | 31 30 ddt 1H J 9 69 140 | 29 28 ddt 1H J 8 69 140 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ncnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C#Cc1ccc(N)nc1 | ir: 3 8 10 5 14 8 6 8 8 8 15 13 12 6 7 7 13 9 7 6 2 4 2 3 4 2 10 4 2 3 2 2 3 4 11 9 6 19 33 7 7 7 8 4 4 5 3 2 3 6 5 4 5 10 10 8 6 5 3 3 3 4 4 3 3 3 3 2 5 13 3 3 3 4 5 5 6 3 4 3 2 7 4 3 6 3 3 4 4 3 2 4 7 4 4 12 9 7 9 9 6 4 3 3 3 3 2 2 4 3 2 7 6 11 5 2 6 5 11 10 9 5 6 11 4 3 2 6 4 5 4 9 7 3 3 5 10 27 4 5 4 2 4 3 3 3 15 24 32 47 15 35 9 22 4 6 12 6 4 0 22 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 2 2 3 3 2 2 2 4 3 5 8 9 6 15 5 3 2 3 3 3 2 2 2 2 2 1 3 2 2 2 6 22 14 2 3 2 2 1 3 3 2 2 11 70 100 13 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 s 1H | 84 84 d 1H J 19 | 76 76 dd 1H J 20 75 | 66 66 d 1H J 75 | 55 55 s 2H | 37 37 dd 4H J 45 60 | 36 36 dd 5H J 44 59 | 25 25 s 3H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1ccc(F)c(Cl)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 | ir: 3 1 1 4 2 1 0 1 0 1 1 0 0 2 2 1 2 4 1 1 2 3 5 2 17 8 2 1 1 1 1 0 0 0 1 1 1 3 10 14 7 3 5 3 13 2 1 0 1 1 5 2 6 11 9 18 4 1 0 1 2 1 0 0 0 1 1 17 1 1 0 0 0 0 0 0 0 1 1 0 1 1 4 6 1 1 1 1 7 1 1 0 1 2 18 0 2 9 3 1 1 5 3 2 0 0 2 0 0 1 1 0 1 1 3 10 9 2 2 5 6 19 22 17 4 3 9 2 10 5 3 1 1 1 8 1 0 1 1 2 4 1 17 4 10 1 2 8 32 15 12 6 1 1 2 1 1 1 2 21 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 0 1 1 0 1 2 7 1 7 100 16 5 3 0 1 4 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; 1HNMR: 77 77 dt 1H J 52 84 | 74 73 dd 1H J 47 88 | 72 71 m 2H | 71 70 ddd 1H J 22 88 101 | 42 41 s 2H | 40 40 m 2H | 38 38 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(F)cc1-c1ccncc1N | ir: 10 34 20 26 31 21 7 7 4 7 3 11 7 10 14 63 46 11 7 8 8 37 6 3 5 4 1 7 4 6 7 8 3 1 2 8 7 4 3 4 3 1 2 4 2 3 8 3 2 1 2 5 7 11 20 6 2 1 1 3 3 3 2 21 4 3 6 11 7 13 6 3 5 25 12 6 4 4 21 13 4 1 2 2 2 3 5 9 13 3 3 2 2 3 2 2 1 2 5 7 2 1 7 1 0 1 2 1 0 1 2 5 7 1 4 3 1 1 3 2 0 2 2 2 3 2 2 1 1 1 2 1 0 1 2 1 1 3 6 3 2 3 21 10 3 6 42 90 16 13 6 22 40 24 19 25 35 88 7 1 14 2 8 3 2 3 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 2 2 2 2 2 2 2 4 4 2 3 18 23 51 27 15 7 5 4 2 3 3 1 1 2 2 2 2 1 2 2 19 79 23 1 1 4 3 0 0 4 6 3 11 100 33 7 3 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 0 2 3 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; 1HNMR: 86 85 dd 1H J 14 48 | 83 83 d 1H J 12 | 75 74 d 1H J 49 | 71 71 dd 1H J 26 120 | 70 70 ddd 1H J 26 82 101 | 69 69 dd 1H J 47 83 | 48 48 s 2H | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCn1c(=O)c2cc(N)ccc2n(CCCOC)c1=O | ir: 9 11 0 12 20 9 5 8 17 4 7 6 3 3 2 7 4 2 2 3 3 3 2 3 3 2 2 3 3 2 2 4 4 7 4 3 3 2 2 4 4 1 4 4 3 1 2 4 3 1 12 0 12 4 6 16 16 9 4 7 4 1 4 4 3 2 7 7 6 3 3 4 2 2 3 4 2 2 6 7 11 3 4 3 2 3 3 3 1 2 3 3 2 3 3 3 2 2 3 4 2 3 3 3 3 3 3 4 11 4 11 5 4 4 4 3 2 3 7 5 8 3 4 3 2 5 4 3 3 4 4 4 5 3 3 3 3 4 6 6 4 4 3 2 2 3 3 2 3 7 4 2 3 9 5 20 11 36 100 12 5 5 3 2 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 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 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 2 4 4 2 2 3 4 4 3 4 4 6 5 7 22 23 4 2 3 2 2 2 3 2 1 2 3 2 1 2 3 4 29 32 6 2 2 2 3 2 2 2 2 9 85 34 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 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 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 74 d 1H J 22 | 73 72 d 1H J 88 | 69 68 dd 1H J 22 88 | 47 46 s 2H | 41 40 t 2H J 67 | 39 38 q 2H J 79 | 35 34 t 2H J 63 | 33 33 s 2H | 20 19 p 2H J 65 | 13 12 t 3H J 79 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1c(C(C)=O)cc(Cl)c(C)c1C1CC(=O)C1 | ir: 3 4 11 6 4 5 4 4 7 11 21 8 23 8 5 10 7 19 8 9 3 3 4 11 15 3 4 6 6 5 8 4 4 7 3 2 2 3 2 2 2 7 5 4 3 4 11 2 2 3 2 1 2 3 2 1 3 4 3 4 7 7 4 0 10 16 40 92 8 4 11 16 12 7 6 8 4 8 6 9 15 10 18 6 4 7 10 16 3 5 4 6 3 95 11 11 7 13 5 3 2 3 3 2 7 11 4 3 5 7 5 5 6 3 4 4 7 10 6 11 4 11 11 9 13 19 40 48 41 10 5 5 14 9 26 48 8 6 9 7 9 4 17 26 7 100 10 44 4 3 3 6 12 47 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 5 7 8 4 4 5 3 3 6 31 14 3 8 15 21 14 42 30 16 88 11 11 4 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 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; 1HNMR: 76 76 s 1H | 39 39 s 3H | 37 36 p 1H J 62 | 31 30 m 2H | 28 27 dd 2H J 62 143 | 26 26 s 3H | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1 | ir: 6 5 9 9 2 7 24 9 3 8 10 24 40 27 25 43 6 18 50 5 2 4 5 2 1 3 4 2 2 4 5 5 14 36 13 11 5 4 4 4 20 8 5 4 8 4 3 6 5 4 8 26 19 69 68 40 19 14 12 7 9 9 7 38 28 9 4 6 5 7 8 2 4 4 2 1 20 8 3 4 8 22 29 45 26 7 14 78 5 20 2 1 8 5 1 2 7 4 9 12 5 4 1 3 5 3 1 4 7 7 5 11 13 7 25 42 20 22 11 23 11 16 33 22 21 4 12 5 5 19 11 11 13 5 2 5 5 1 2 4 4 2 5 9 48 62 9 24 35 19 17 10 8 4 2 5 4 3 2 11 3 0 3 4 3 1 2 4 2 0 2 5 2 0 3 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 1 2 4 4 2 3 5 7 4 10 5 4 4 4 12 8 6 40 36 100 70 38 18 16 15 8 10 5 5 3 4 3 1 3 3 2 2 3 4 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 79 78 m 2H | 77 77 m 2H | 76 76 m 2H | 73 72 m 2H | 36 35 m 2H | 29 28 m 2H | 25 25 s 2H | 21 20 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCc1ccccc1-c1c[nH]cn1 | ir: 1 2 3 6 5 4 3 3 3 1 2 1 1 3 0 1 1 1 1 1 2 2 1 2 1 1 1 1 1 0 1 1 1 1 6 16 22 15 6 3 3 6 30 64 7 3 2 3 1 1 2 3 2 1 1 1 1 0 1 1 2 2 4 3 2 3 5 2 3 20 18 19 3 3 9 32 29 2 2 2 2 1 6 7 5 16 21 16 8 17 16 35 19 3 2 4 7 26 49 10 16 11 16 28 16 5 2 2 2 4 7 11 7 5 2 8 8 20 8 7 13 6 3 2 6 5 4 2 1 2 3 1 0 7 18 36 5 7 12 6 2 0 0 2 2 6 8 12 7 12 29 1 1 1 1 1 1 2 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 1 0 0 0 1 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 2 3 3 3 1 3 2 3 4 6 8 11 41 95 100 38 13 11 6 5 15 11 4 16 24 74 8 1 2 2 0 0 1 2 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 t 1H J 54 | 79 79 dd 1H J 17 56 | 76 75 dd 1H J 13 86 | 75 75 m 2H | 75 74 ddd 1H J 17 74 88 | 73 72 td 1H J 13 76 | 49 49 dd 2H J 8 58 | 26 26 t 1H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNS(=O)(=O)c1ccccn1 | ir: 17 6 10 28 0 8 13 8 4 21 10 11 12 8 11 5 13 8 6 5 3 3 4 10 6 8 13 10 7 23 22 28 8 4 3 5 4 5 8 7 5 3 2 3 14 6 5 19 17 40 16 6 4 5 23 11 5 3 3 1 5 2 9 5 28 6 2 3 1 7 7 1 3 8 2 2 3 10 30 6 3 2 9 5 3 100 34 2 2 2 2 6 1 27 38 9 18 14 17 12 3 1 2 6 4 7 26 49 25 12 6 12 4 3 2 1 2 3 10 5 6 5 3 3 2 1 1 1 2 6 2 5 11 5 10 21 8 2 3 4 2 3 4 4 41 19 3 5 10 42 6 2 2 2 1 8 52 4 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 2 3 1 3 3 10 12 5 9 17 11 2 1 6 3 17 10 1 2 3 3 2 1 1 1 0 1 2 1 3 22 46 9 15 44 9 3 2 1 2 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 0 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 dd 1H J 16 42 | 80 79 m 2H | 75 75 ddd 1H J 16 42 70 | 61 60 t 1H J 91 | 52 52 d 1H J 73 | 39 39 d 1H J 51 | 39 38 ddtt 1H J 15 35 51 103 | 38 37 dp 1H J 57 73 | 34 33 ddd 1H J 50 90 142 | 32 31 m 1H | 14 14 s 8H | 13 12 dd 3H J 15 59 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=c1ccc2c(N=CC(O)(CC3CCOc4ccccc43)C(F)(F)F)cccc2[nH]1 | ir: 3 16 15 5 4 3 2 1 5 2 2 1 4 1 2 3 4 3 4 5 27 2 1 2 1 2 1 1 2 5 7 3 3 5 2 1 1 2 2 3 8 4 39 5 6 26 13 6 40 5 14 2 2 3 1 1 1 0 1 1 1 1 1 1 1 7 2 6 3 9 2 1 1 9 6 1 6 4 2 3 15 4 11 6 2 2 1 4 5 3 5 4 2 10 5 2 14 33 1 8 5 6 3 5 3 4 9 6 3 3 6 6 5 2 4 3 4 2 1 1 2 1 0 1 1 1 1 1 1 1 3 1 1 1 1 3 3 8 10 11 2 2 5 5 2 2 1 1 2 28 2 29 8 3 1 2 8 1 2 13 1 1 1 4 100 3 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 3 2 2 4 4 9 23 12 10 22 9 2 3 3 17 4 2 1 1 1 1 1 0 1 1 1 1 2 4 2 4 19 9 1 1 1 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 95 | 76 75 t 1H J 80 | 75 74 dd 1H J 14 79 | 73 72 m 2H | 72 72 m 1H | 72 71 td 1H J 12 76 | 71 70 ddd 1H J 15 74 82 | 69 68 dd 1H J 13 84 | 65 65 d 1H J 95 | 49 49 q 1H J 30 | 43 42 ddd 1H J 30 58 112 | 41 41 ddd 1H J 31 57 112 | 34 33 m 1H | 23 22 m 2H | 21 19 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(CO)cc2)c1 | ir: 3 6 4 6 7 5 11 3 8 10 3 3 5 4 4 4 0 3 3 4 11 3 2 4 49 27 7 3 2 1 2 5 2 2 2 2 1 1 1 1 1 1 3 9 4 3 3 66 4 3 5 5 5 1 6 20 5 1 1 1 1 0 1 3 2 2 5 1 2 2 2 1 2 2 3 2 2 3 2 3 4 2 4 17 8 15 42 19 8 3 3 3 2 11 4 2 0 2 1 1 1 1 1 3 3 5 3 6 1 6 2 4 2 1 2 1 1 3 2 1 2 5 10 18 9 9 11 6 1 1 2 2 1 1 2 2 5 1 1 2 4 14 7 7 4 2 1 1 8 4 2 2 8 3 6 2 14 1 1 1 1 2 7 18 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 2 2 2 2 3 1 2 2 2 0 2 12 13 46 25 7 6 8 4 7 8 100 6 1 1 2 1 0 1 1 1 1 1 1 1 6 8 14 24 57 18 5 3 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 98 98 d 1H J 73 | 82 82 d 1H J 72 | 82 82 m 1H | 75 74 m 1H | 74 73 m 2H | 73 73 ddd 1H J 13 72 81 | 73 72 ddd 1H J 11 72 83 | 72 71 m 3H | 66 66 ddd 1H J 12 22 82 | 64 64 ddd 1H J 12 21 79 | 63 63 d 1H J 82 | 63 62 t 1H J 22 | 62 61 m 1H | 47 46 dt 2H J 9 58 | 38 38 s 2H | 28 27 t 1H J 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)n1ncc2c(NC(=O)NC3CCOc4ccc(C)cc43)cccc21 | ir: 3 8 9 10 10 13 27 25 9 14 12 15 4 9 18 14 11 6 7 7 10 6 11 17 9 9 12 5 5 6 7 5 6 11 9 9 11 11 12 22 36 67 30 21 10 12 7 26 14 38 14 4 10 11 5 5 10 7 4 2 4 7 4 7 5 13 6 4 5 8 6 5 6 8 10 4 9 5 6 3 7 6 4 2 4 9 18 10 4 6 11 8 8 4 2 6 30 12 5 6 6 7 6 6 6 7 13 54 17 9 17 19 12 4 1 7 7 3 4 7 12 10 3 13 10 4 3 5 5 3 2 6 7 4 5 5 3 3 2 4 16 6 5 8 9 10 11 6 42 81 79 59 13 8 6 11 5 4 17 97 24 60 12 9 5 1 3 5 3 0 2 5 2 0 2 5 2 1 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 1 1 3 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 3 4 5 3 1 4 9 7 6 8 22 21 48 57 16 6 4 5 4 3 3 5 5 3 1 4 4 2 3 5 5 8 7 7 12 39 51 100 32 14 7 6 5 4 3 4 3 2 2 4 4 2 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4; 1HNMR: 86 85 s 1H | 85 85 s 1H | 84 83 m 1H | 77 76 dt 1H J 9 76 | 75 74 t 1H J 74 | 72 72 m 1H | 71 70 ddd 1H J 9 21 86 | 68 68 d 1H J 86 | 65 64 d 1H J 79 | 49 48 dtd 1H J 7 49 79 | 43 43 ddd 1H J 34 61 119 | 42 41 ddd 1H J 34 61 119 | 40 40 s 2H | 24 23 dddd 1H J 35 49 61 144 | 23 23 s 0H | 23 23 s 3H | 22 21 dddd 1H J 34 49 60 144 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCCCOc1cc(OCCCCCCCC)ccc1C(=O)OC | ir: 7 4 9 16 12 7 8 5 16 24 6 7 3 4 3 2 2 4 4 3 3 2 3 3 5 3 7 12 16 7 2 2 1 3 3 17 8 7 3 3 9 5 2 1 3 2 1 0 2 4 2 3 6 77 34 16 4 6 15 1 3 2 4 1 6 7 32 25 26 27 89 34 23 8 3 9 3 6 35 2 2 2 1 1 2 2 1 1 4 4 4 3 4 2 3 2 2 3 3 2 3 2 1 1 3 4 4 8 20 12 57 18 23 12 6 6 12 10 42 35 12 7 6 4 8 3 3 3 4 2 5 3 3 3 2 7 5 29 8 5 6 2 6 17 19 14 7 4 2 2 2 3 40 36 44 10 4 2 2 2 2 1 6 26 6 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 5 3 3 3 7 9 8 6 9 5 8 49 7 9 31 34 14 52 100 71 16 11 11 5 6 7 2 2 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 d 1H J 86 | 67 66 dd 1H J 23 87 | 65 65 d 1H J 23 | 58 57 m 1H | 51 50 ddt 1H J 15 22 103 | 50 49 ddt 1H J 13 24 172 | 41 40 dt 4H J 66 97 | 39 39 s 2H | 22 21 tdt 2H J 14 68 82 | 18 17 m 4H | 15 14 m 2H | 14 12 m 8H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1c(C(=O)OC)n(Cc2cccc(C#N)c2)c2ccccc12 | ir: 8 17 21 12 12 12 11 14 13 14 7 19 9 6 5 4 9 28 24 5 2 4 3 4 2 3 3 1 2 5 5 3 16 22 15 19 24 12 5 0 4 13 94 100 12 4 3 7 13 5 2 2 3 2 3 4 4 4 2 2 1 2 2 3 3 3 4 15 24 28 7 3 6 8 10 12 18 9 27 4 4 5 2 2 2 12 3 3 23 26 3 11 9 6 7 19 14 10 5 4 33 19 22 23 7 4 12 16 5 3 0 2 4 2 0 2 5 5 16 9 4 3 3 5 6 19 7 14 3 5 18 15 7 15 4 4 6 28 31 17 31 15 10 23 35 5 3 8 13 8 10 49 34 2 4 4 3 0 3 4 2 2 3 3 2 0 1 2 1 1 1 3 1 0 1 2 2 0 2 2 2 2 10 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 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 3 5 7 4 3 3 7 5 14 19 10 30 94 78 18 10 5 5 6 3 1 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 83 dd 1H J 14 70 | 78 77 tt 1H J 9 20 | 77 77 ddd 1H J 12 21 66 | 75 75 ddd 1H J 12 65 73 | 75 74 m 2H | 74 73 m 2H | 58 58 t 2H J 9 | 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. |
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)OC(C)C)C3)cc1 | ir: 0 3 2 3 6 5 4 3 3 5 9 4 4 2 0 1 3 1 2 2 16 2 4 11 8 4 2 1 5 2 4 11 2 3 2 3 2 4 11 17 12 14 7 2 1 1 7 3 6 6 6 12 84 8 8 3 3 6 2 1 1 1 1 1 1 1 0 1 1 1 2 1 3 4 1 1 1 1 2 0 1 1 5 2 2 3 3 1 1 2 1 4 1 1 1 2 2 6 1 2 0 1 2 4 13 4 1 5 2 1 1 2 10 9 3 2 2 4 3 3 5 3 5 7 3 3 7 8 5 3 4 2 1 1 1 2 4 4 3 2 3 1 1 2 14 2 5 6 7 23 100 34 14 8 14 2 0 1 0 0 0 0 1 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 2 1 3 2 2 15 5 6 17 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 5 5 7 20 8 12 4 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 79 79 s 1H | 77 76 m 2H | 63 62 t 1H J 38 | 51 50 hept 1H J 60 | 45 45 s 2H | 38 37 m 6H | 34 34 dd 4H J 47 55 | 33 32 qd 2H J 37 61 | 31 30 dt 1H J 60 181 | 30 29 dt 1H J 61 183 | 13 13 d 6H J 60 | 12 12 t 3H J 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccccc4)nc3c2)c1F | ir: 4 3 6 12 8 3 2 2 1 4 7 2 6 4 6 2 2 3 7 2 7 17 8 8 24 39 7 2 5 5 19 18 14 8 13 8 5 9 12 17 20 9 19 9 20 17 10 3 11 8 4 0 2 2 4 20 43 20 2 1 4 2 1 1 2 3 3 16 11 27 6 3 4 3 1 1 1 3 2 14 2 2 1 1 5 11 22 16 5 5 3 10 8 4 5 4 8 2 1 1 1 1 5 18 20 4 11 17 22 29 4 5 2 3 7 3 5 3 2 6 6 5 3 9 5 7 4 2 3 4 4 2 1 3 39 2 2 1 1 12 21 7 13 39 20 62 27 25 8 4 14 15 72 14 12 5 3 4 1 2 3 1 9 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 7 2 3 1 1 0 2 2 3 8 19 6 17 65 31 10 6 1 2 2 2 1 1 1 2 1 1 2 1 1 1 1 1 2 3 10 20 23 17 23 100 34 9 5 3 2 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 d 1H J 37 | 87 87 d 1H J 16 | 82 81 m 2H | 81 81 d 1H J 16 | 76 75 m 3H | 74 73 dt 1H J 49 77 | 73 72 dd 1H J 77 101 | 31 31 t 2H J 78 | 19 17 m 2H | 11 10 t 3H J 84 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)/C=N/C(=O)C1(NC(=O)OCc2ccccc2)CC1 | ir: 7 5 6 4 3 3 2 3 3 6 5 3 0 1 1 1 1 2 2 3 3 3 4 4 2 3 4 6 14 31 10 18 17 10 9 5 9 7 14 32 37 7 5 4 5 2 1 2 1 1 2 6 5 3 2 1 1 3 2 1 1 2 1 1 2 2 11 4 4 7 4 6 2 4 3 1 11 15 8 4 1 1 1 1 1 3 5 4 31 11 14 3 4 3 4 3 16 24 18 4 7 3 2 3 9 28 19 11 5 7 5 8 8 7 7 9 21 20 1 3 2 3 3 3 5 2 7 8 3 3 3 2 4 2 3 14 4 2 1 2 2 8 26 100 28 29 17 5 5 44 6 12 5 11 1 2 2 4 14 20 5 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 2 1 1 1 2 12 3 3 8 8 12 32 8 9 16 2 3 2 1 1 1 1 1 0 1 1 2 1 2 3 3 1 3 5 10 16 91 8 4 1 1 1 1 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 84 83 hept 1H J 11 | 74 73 m 6H | 59 59 s 1H | 50 50 s 2H | 31 31 d 6H J 11 | 18 18 m 2H | 16 15 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C#CCO[C@@H]1[C@H](O)[C@@H](C[C@@H](N)CC[C@H](N)C(=O)O)O[C@H]1n1cnc2c(N)ncnc21 | ir: 5 5 8 3 3 4 7 9 4 4 2 2 3 3 2 2 2 4 3 4 5 5 50 8 4 5 7 8 3 2 2 2 4 3 3 2 11 18 12 6 5 4 3 6 1 4 2 2 2 1 3 1 3 2 2 2 2 2 2 3 4 14 4 1 5 1 4 5 5 8 11 11 6 4 18 19 13 17 15 28 13 10 8 10 13 12 6 10 17 6 1 1 1 3 2 8 10 2 1 2 3 1 1 3 1 1 2 1 1 3 2 1 1 3 3 5 4 3 0 2 2 5 8 12 16 11 4 4 3 6 4 13 14 7 11 6 5 3 2 2 1 2 3 6 14 10 6 3 7 42 19 12 5 1 2 6 66 5 2 0 0 2 1 0 0 1 1 1 0 1 0 0 0 1 0 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 0 1 1 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 2 2 2 3 5 3 1 1 1 1 1 2 1 2 0 7 100 34 18 3 2 8 14 12 19 13 16 24 11 5 45 38 4 4 3 1 2 6 13 56 6 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 83 82 s 1H | 81 81 s 1H | 71 70 d 2H J 63 | 70 70 s 2H | 63 62 ddt 1H J 8 16 50 | 47 47 ddd 1H J 8 40 49 | 45 45 dd 1H J 24 79 | 44 44 dd 1H J 26 79 | 44 43 dddt 1H J 10 30 50 59 | 40 39 qt 1H J 10 58 | 38 37 p 1H J 60 | 36 36 d 1H J 51 | 31 30 m 1H | 25 24 t 1H J 25 | 21 21 d 2H J 59 | 20 19 dtd 1H J 57 82 148 | 19 18 dddd 1H J 18 60 76 150 | 18 15 m 3H | 15 14 dtd 1H J 55 82 148 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CC[C@@H](C(=O)OC(C)(C)C)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 | ir: 1 5 18 17 6 11 4 8 10 7 10 11 12 19 15 8 7 4 5 5 4 1 1 3 3 1 2 6 6 17 2 13 6 33 16 2 4 7 2 4 7 2 1 2 8 1 1 4 1 1 4 3 2 2 34 61 7 7 6 7 13 7 22 15 18 8 2 0 1 3 8 8 6 2 2 2 2 1 8 2 4 8 17 18 16 100 5 79 21 13 2 6 4 2 1 1 4 3 6 3 4 4 12 4 2 4 12 2 1 2 5 5 54 11 7 3 3 2 4 5 7 18 14 22 24 22 7 8 7 7 6 7 3 2 2 1 1 1 5 14 7 2 2 1 2 5 24 37 26 3 7 2 18 1 4 2 1 2 1 25 1 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 1 1 2 2 5 3 3 7 20 6 43 92 28 11 7 5 4 1 2 2 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 dq 1H J 10 20 | 85 84 ddd 1H J 13 20 42 | 77 77 dddd 1H J 8 19 29 79 | 77 76 m 2H | 73 72 dd 1H J 43 79 | 71 70 m 2H | 58 57 m 1H | 52 51 ddt 1H J 13 24 167 | 51 50 m 1H | 47 46 dt 1H J 8 149 | 46 45 dt 1H J 8 148 | 41 41 td 1H J 16 84 | 38 38 s 3H | 27 26 dddt 1H J 13 75 88 112 | 25 24 m 1H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(COc2ccc3c(=O)n(-c4ccc(C#N)cc4)c(C(C)C)nc3c2C=O)cc1 | ir: 3 2 3 3 3 4 8 8 4 6 7 4 3 8 6 4 4 4 4 5 4 4 2 3 5 4 20 13 3 4 6 6 5 7 5 18 25 19 23 6 4 5 5 5 3 6 16 42 68 21 16 11 16 12 16 30 44 54 12 6 12 23 7 5 5 7 8 5 7 27 4 1 2 3 2 2 6 7 3 2 3 3 2 2 2 3 4 8 5 3 2 2 3 2 4 15 7 5 8 16 8 5 6 8 7 3 5 2 10 100 3 5 6 3 3 3 2 4 3 3 4 4 4 7 10 10 7 20 11 4 2 3 2 2 2 2 2 2 3 8 5 5 12 5 8 11 14 18 44 5 9 6 18 4 5 9 6 4 10 25 5 14 22 25 4 1 2 2 2 1 1 2 1 1 2 1 1 1 1 1 2 4 27 6 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 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 2 1 1 2 3 2 2 2 2 2 2 2 2 2 8 3 4 5 10 19 71 86 63 14 6 5 5 3 2 3 2 2 2 2 2 2 2 2 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 d 1H J 86 | 77 76 m 4H | 73 73 dq 2H J 9 83 | 72 71 d 1H J 86 | 69 69 m 2H | 51 50 d 2H J 9 | 38 38 s 3H | 28 27 hept 1H J 66 | 12 11 d 7H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)C(C(=O)OC(C)C)=C(C)N1 | ir: 5 3 2 13 7 4 3 1 2 3 9 5 10 11 3 3 3 3 1 2 5 2 3 18 89 29 5 1 1 2 2 2 4 1 2 1 3 1 4 2 1 1 2 2 7 1 2 3 3 5 2 2 1 1 2 1 1 0 1 2 2 1 1 1 1 1 1 1 3 5 7 4 2 9 2 3 3 12 21 5 2 1 3 2 1 2 2 2 3 1 1 4 1 2 2 1 0 1 2 2 1 1 2 3 3 30 19 11 4 3 6 2 1 1 4 3 1 2 2 2 1 1 1 1 1 4 2 3 2 2 2 2 4 2 2 1 1 2 2 2 22 6 2 1 1 1 1 1 1 1 2 14 100 16 3 15 1 4 1 30 1 3 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 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 1 1 1 2 2 3 2 1 1 1 2 2 0 2 3 3 1 4 7 9 1 4 11 7 2 2 1 1 1 1 2 3 34 3 2 2 3 7 3 1 1 2 2 1 3 9 29 25 25 10 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 73 73 ddd 2H J 11 59 83 | 72 71 m 2H | 53 53 h 1H J 10 | 49 49 p 1H J 60 | 23 23 d 3H J 10 | 22 22 d 3H J 11 | 12 12 dd 7H J 28 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(CO)(Sc1cc2ccccc2[nH]1)c1ccccc1 | ir: 1 1 3 2 7 3 2 1 1 1 1 1 0 1 4 3 0 1 2 1 1 1 1 1 0 2 1 1 3 2 3 3 5 3 4 3 1 1 1 1 4 39 9 5 10 6 2 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 1 1 1 0 1 2 5 5 2 0 1 2 1 2 2 1 1 3 1 1 1 2 2 3 6 7 8 14 17 22 9 19 11 5 8 2 0 1 2 1 2 9 3 1 0 0 1 1 0 5 5 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 3 2 1 2 2 1 12 5 1 1 1 1 1 2 6 14 9 9 3 2 1 0 0 1 2 0 4 11 18 2 3 1 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 2 1 2 5 4 2 2 5 2 1 2 3 2 3 4 4 5 4 10 7 12 54 24 14 14 11 21 32 51 100 43 18 6 10 5 3 6 3 2 2 4 4 3 3 4 6 5 13 26 5 3 3 3 4 3 1 4 3 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 s 1H | 76 75 m 1H | 74 73 m 7H | 72 71 m 2H | 69 69 d 1H J 22 | 45 44 dd 1H J 60 107 | 42 42 dd 1H J 59 106 | 30 30 t 1H J 59 | 18 18 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)S[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F | ir: 3 3 1 1 2 5 1 6 1 7 1 2 1 1 2 3 2 2 0 1 1 0 1 2 1 0 0 1 1 0 3 1 8 2 4 15 3 3 2 1 3 4 2 3 2 0 38 11 2 6 3 1 1 3 10 19 22 3 6 0 2 2 2 8 10 3 4 43 9 6 3 7 6 11 5 2 3 2 6 3 34 6 6 2 2 4 4 3 3 3 5 4 18 5 2 11 3 5 4 3 9 5 4 5 4 5 4 3 19 5 2 1 3 3 5 8 9 4 5 11 23 18 6 20 10 19 7 3 4 22 3 1 0 1 4 1 2 7 2 1 1 1 1 15 0 1 1 1 2 4 9 2 7 7 1 1 1 1 1 0 1 15 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 2 4 6 2 2 1 3 6 4 5 15 17 25 20 31 43 18 18 31 99 100 14 6 3 4 2 11 4 2 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dt 1H J 9 16 | 78 78 d 1H J 16 | 74 73 dt 1H J 44 77 | 69 68 m 2H | 50 49 dd 1H J 7 148 | 47 47 s 1H | 47 46 dd 1H J 9 148 | 42 42 q 1H J 55 | 24 24 s 2H | 15 14 d 3H J 55 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)CC#Cc1ccc(C(F)(F)F)cc1N | ir: 4 3 2 7 5 10 4 6 2 5 0 2 2 1 1 2 2 2 1 1 2 2 4 9 2 1 1 1 1 0 1 2 1 1 1 1 2 1 1 2 1 2 2 2 1 0 1 1 1 1 1 2 1 2 6 9 2 1 1 2 1 1 2 2 3 7 3 8 9 1 1 2 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 2 2 2 2 6 4 1 2 2 9 4 27 26 2 1 2 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 2 3 2 3 1 1 1 1 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 1 2 2 2 3 10 65 7 2 1 2 11 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 2 2 3 10 5 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 2 18 24 2 1 0 1 1 0 0 2 2 2 46 100 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 d 1H J 109 | 73 73 ddq 1H J 13 25 108 | 71 70 dq 1H J 9 20 | 42 41 s 2H | 37 37 s 2H | 24 24 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(=CNc1ccc(I)cc1CO)C(=O)OCC | ir: 8 5 2 4 8 6 1 12 6 4 3 3 4 2 32 3 5 3 1 2 4 2 1 3 3 1 1 3 3 5 4 4 5 4 8 4 10 7 9 17 23 13 13 5 8 0 2 5 3 1 2 7 5 14 31 1 3 2 2 4 2 0 11 4 2 2 2 3 10 1 4 4 4 3 10 5 4 6 8 7 3 8 4 5 2 6 9 36 9 3 11 14 6 3 5 6 1 3 4 3 1 3 23 12 5 3 4 2 0 1 4 2 0 6 8 5 3 9 6 4 2 5 5 5 8 9 12 2 5 18 14 19 98 2 2 3 4 4 11 9 2 4 5 3 8 30 62 31 31 7 17 64 48 12 18 5 4 8 4 1 3 3 2 2 4 6 3 0 5 9 13 23 5 3 2 1 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 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 1 2 5 4 1 3 6 4 2 6 22 14 4 14 24 21 3 10 4 3 6 11 100 10 5 4 4 2 2 3 5 3 2 4 6 4 7 15 15 42 93 42 29 9 5 5 4 4 4 2 3 2 2 2 2 2 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 96 96 d 1H J 75 | 84 84 d 1H J 75 | 75 75 dt 1H J 8 19 | 75 74 dd 1H J 20 73 | 67 66 d 1H J 73 | 47 46 dd 2H J 9 56 | 43 42 qd 4H J 22 71 | 41 41 t 1H J 56 | 13 12 t 6H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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