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NC(=O)NN=C(c1ccccc1)c1ccccc1N
ir: 2 2 3 2 3 3 3 3 3 5 3 5 5 4 7 8 9 41 9 8 8 16 9 7 12 7 8 7 6 7 7 8 15 4 3 4 3 13 19 9 11 9 21 21 8 6 7 6 3 3 3 3 9 5 3 3 3 2 3 4 3 2 2 2 2 2 2 3 5 4 3 2 4 5 4 3 8 13 4 3 3 3 2 4 4 5 5 3 18 3 2 3 3 3 3 11 4 4 2 3 2 2 5 2 2 2 2 2 2 2 2 2 3 2 3 8 4 2 0 12 2 4 6 3 2 2 2 2 2 2 2 3 2 3 8 4 12 6 4 24 6 5 5 5 12 4 3 3 5 20 3 12 8 5 25 6 9 27 46 38 8 5 7 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 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 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 3 2 3 3 3 3 2 3 4 4 3 5 23 11 6 4 4 3 2 3 3 2 2 3 3 2 2 3 6 25 16 28 20 7 5 4 8 14 5 10 14 20 33 100 38 9 5 3 2 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 91 91 s 1H | 76 75 d 1H J 72 | 75 75 s 1H | 75 75 m 2H | 75 74 m 1H | 73 72 m 2H | 71 70 m 4H | 52 52 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12C=C[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1
ir: 3 5 3 6 2 5 7 3 2 3 4 5 2 5 10 4 3 6 9 8 6 13 7 4 2 4 4 3 5 3 3 2 4 4 8 20 11 8 6 11 19 13 4 0 2 5 6 2 4 5 3 0 5 6 3 1 3 5 5 6 8 13 10 6 19 5 8 6 10 15 14 3 5 9 5 6 14 24 15 7 18 16 5 26 14 51 86 55 100 13 12 11 13 7 6 5 7 6 5 3 6 15 9 8 18 18 8 51 21 17 23 14 20 14 20 21 27 11 0 9 8 11 25 34 10 8 3 6 8 4 3 6 9 5 4 5 11 6 5 17 38 18 4 5 3 1 1 2 2 1 1 3 2 1 2 8 8 1 10 5 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 1 2 3 1 0 1 3 2 0 1 3 2 0 1 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 2 3 3 2 3 4 4 2 4 5 8 6 18 7 10 7 6 13 16 54 33 32 41 24 6 6 6 2 3 11 37 57 13 6 4 1 3 3 2 1 2 3 2 1 2 3 2 1 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 1 0 1 2; 1HNMR: 60 59 dtd 1H J 9 18 108 | 58 57 ddt 1H J 9 50 108 | 55 54 dddd 1H J 9 18 41 51 | 44 43 m 1H | 40 39 m 2H | 39 38 m 2H | 28 28 d 1H J 57 | 27 26 m 1H | 24 23 m 1H | 21 20 m 2H | 19 16 m 6H | 16 15 ddt 1H J 63 93 134 | 15 14 m 3H | 14 13 ddtd 1H J 16 28 57 85 | 12 11 d 3H J 11 | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](OC(C)=O)c1ccnn1-c1ccccc1
ir: 2 2 4 3 2 4 5 7 4 5 5 4 4 8 5 5 5 4 5 4 3 4 6 4 5 10 17 9 9 8 5 7 10 21 17 13 2 4 4 3 11 14 7 100 73 0 2 4 3 3 5 7 4 57 46 10 3 5 4 2 3 4 3 3 4 4 3 12 10 21 19 21 19 10 7 8 7 7 4 6 6 5 3 7 12 13 8 5 4 4 3 13 10 10 2 4 7 5 1 20 50 9 7 4 4 3 4 5 5 5 4 4 7 5 4 3 3 7 6 4 17 20 19 10 9 7 5 5 8 7 12 21 50 5 23 17 22 15 14 10 3 4 12 6 70 22 3 7 25 4 4 12 8 5 12 8 4 2 3 4 5 4 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 4 2 2 4 4 3 6 5 8 8 11 11 11 9 20 32 39 72 54 28 17 19 8 6 9 5 4 6 4 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 77 77 d 1H J 31 | 75 74 m 8H | 72 72 m 1H | 68 67 dd 1H J 7 31 | 62 61 m 1H | 58 57 ddtd 1H J 17 78 108 159 | 52 51 ddt 1H J 13 24 163 | 51 50 m 1H | 37 36 tdd 1H J 19 67 75 | 27 26 m 1H | 25 24 dtt 1H J 14 75 147 | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nc2cc(F)c(Br)cc2n1Cc1ccccc1OC(F)F
ir: 10 8 4 11 29 14 20 6 6 7 5 6 7 7 7 11 30 13 6 8 22 7 7 8 10 7 5 5 5 5 6 9 9 11 10 8 10 6 5 12 49 14 38 8 6 12 9 12 8 6 11 8 6 7 5 4 7 8 9 12 39 3 7 31 10 6 55 82 32 19 37 13 27 23 48 57 17 23 12 9 6 11 6 9 12 10 5 7 7 7 35 6 9 11 10 6 6 7 4 6 8 7 22 9 8 8 8 6 7 5 5 7 7 7 12 11 11 7 7 10 11 6 7 9 8 21 6 6 7 6 7 6 6 6 7 10 7 24 32 11 11 53 11 16 12 8 5 7 8 11 15 11 9 7 5 7 5 4 5 6 7 4 5 6 5 4 5 6 5 4 5 6 5 4 5 7 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 6 6 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 5 4 6 5 5 5 6 5 4 5 6 6 4 5 6 6 4 5 9 8 7 6 11 7 5 7 9 7 6 15 22 19 0 100 9 14 10 6 6 7 7 5 5 5 6 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 77 77 d 1H J 43 | 74 73 d 1H J 121 | 73 73 ddt 1H J 9 18 70 | 73 72 m 1H | 71 70 m 2H | 66 66 s 0H | 55 54 d 2H J 9 | 44 44 s 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(F)c(S)c1
ir: 4 4 9 6 5 6 3 4 6 6 4 3 4 4 2 4 4 7 5 6 4 3 4 3 3 3 2 3 3 3 3 2 4 5 5 7 7 11 8 5 5 9 8 17 7 25 36 16 30 17 5 0 32 5 25 6 11 0 3 3 3 2 2 5 4 3 7 6 3 7 5 9 4 2 6 2 6 7 5 9 23 13 11 25 42 54 42 100 22 15 13 8 11 8 7 6 7 7 15 5 1 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 4 3 3 3 7 6 8 11 6 4 2 3 2 2 2 2 2 1 1 2 15 6 12 2 1 1 1 2 2 13 6 16 6 17 7 14 3 1 1 2 3 4 2 3 2 1 2 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 3 3 2 4 4 5 3 8 6 7 5 2 2 2 8 11 17 7 2 2 2 1 9 6 6 6 3 6 3 3 3 3 2 2 3 2 2 2 2 3 3 4 4 3 4 3 4 3 4 21 32 15 26 12 7 6 4 20 49 17 56 10 3 2 2 1 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 ddt 1H J 9 20 31 | 72 71 dddd 1H J 10 21 37 76 | 70 70 dd 1H J 75 101 | 47 46 dt 2H J 9 57 | 37 36 d 1H J 37 | 25 24 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)c1ccc2c(C3CCCC3)c(-c3ccccn3)n(C)c2c1
ir: 19 12 12 16 14 18 14 5 4 8 11 6 6 7 3 4 4 2 1 3 12 5 6 5 14 2 6 4 5 2 2 6 16 20 5 11 23 19 17 4 4 3 8 14 7 13 11 7 3 0 4 3 4 18 37 69 13 9 3 6 5 14 5 5 4 3 34 28 6 18 7 9 4 0 6 9 2 5 10 15 12 20 4 6 2 2 3 3 2 2 3 9 3 2 3 3 1 2 5 3 3 5 5 16 1 2 5 4 2 5 9 5 4 3 17 20 70 23 7 13 3 4 5 10 14 7 6 4 5 6 19 7 11 7 8 8 3 5 6 3 20 54 1 8 9 3 66 87 44 26 6 1 3 24 21 9 5 6 29 6 2 4 2 1 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 2 3 4 2 1 3 6 7 2 4 9 7 2 10 23 20 12 31 100 76 25 13 8 5 2 3 3 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 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 87 86 dd 1H J 17 40 | 80 80 d 1H J 22 | 80 79 d 1H J 77 | 79 78 m 2H | 77 76 td 1H J 16 69 | 73 73 ddd 1H J 13 40 71 | 39 39 s 3H | 38 38 s 3H | 30 29 p 1H J 44 | 20 19 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
ir: 2 3 5 6 3 4 5 4 2 14 17 17 8 6 8 11 16 7 7 5 5 6 7 4 3 6 3 4 4 3 4 4 3 4 4 6 4 2 3 7 6 0 26 100 6 15 5 0 3 5 3 1 3 6 4 2 4 5 3 4 4 5 5 3 4 4 3 3 9 9 8 7 9 13 11 21 13 4 3 8 16 8 6 6 8 7 5 20 10 10 6 4 5 4 3 7 9 5 4 5 7 5 2 3 4 3 4 6 5 3 3 3 4 4 2 3 4 3 3 4 5 4 3 5 5 5 2 3 4 4 5 8 5 3 3 6 7 15 9 6 6 9 8 6 8 17 19 4 12 8 5 7 4 3 4 4 3 2 3 4 4 3 3 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 5 3 3 5 8 7 4 8 12 20 57 61 10 15 9 4 4 3 4 5 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 74 m 2H | 74 73 m 3H | 73 72 td 1H J 15 77 | 72 71 m 2H | 58 57 m 1H | 52 51 ddt 1H J 13 25 165 | 49 49 m 1H | 41 40 td 2H J 9 70 | 24 23 qt 2H J 14 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C2CCCC(N2)C(=O)N1c1ccc(OC(F)(F)F)cc1
ir: 4 5 5 4 4 5 6 4 4 6 7 5 4 6 7 6 5 7 5 5 6 8 5 4 4 5 7 4 4 5 5 5 4 5 5 5 9 8 5 4 4 5 5 18 13 6 20 12 5 5 5 8 13 12 28 6 11 8 6 5 5 6 5 4 18 62 5 3 5 12 2 100 3 0 6 6 4 3 5 5 4 4 5 5 4 4 5 5 5 4 5 5 5 6 6 7 20 11 19 40 22 29 8 5 6 5 4 7 10 10 7 6 11 31 20 31 7 6 4 7 6 6 7 8 6 8 9 9 11 8 6 4 4 5 4 4 5 4 4 4 4 4 5 4 4 5 8 4 10 99 13 13 18 21 12 8 6 4 4 5 5 4 5 5 5 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 5 4 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 6 6 5 6 5 7 6 8 5 5 7 9 8 32 9 7 6 5 5 5 5 5 4 5 4 4 4 5 5 5 5 5 54 32 6 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5; 1HNMR: 73 72 m 4H | 41 40 m 2H | 32 32 t 1H J 69 | 20 19 m 2H | 18 17 m 3H | 17 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCCCl)S(=O)(=O)c1ccc(C)cc1
ir: 3 2 1 2 4 4 1 7 5 2 32 5 16 10 4 4 2 1 0 1 1 0 0 1 5 6 0 1 1 0 0 1 7 3 5 2 1 1 1 4 3 5 3 5 1 1 2 7 1 1 5 2 1 4 5 2 2 2 2 2 1 0 9 3 3 3 3 4 1 12 6 14 3 1 1 2 0 0 3 3 6 18 32 75 22 100 22 4 21 3 2 3 10 11 9 2 1 1 1 3 2 2 5 3 2 1 1 5 2 1 1 2 2 4 2 3 3 1 3 9 2 2 3 4 4 21 3 2 2 1 1 3 2 1 1 3 1 1 1 0 0 1 1 0 0 1 4 5 3 4 1 1 2 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 3 2 2 1 1 3 2 3 2 4 19 11 28 18 6 2 2 2 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 37 36 t 2H J 36 | 32 32 m 3H | 32 31 d 1H J 83 | 24 24 d 3H J 10 | 21 20 tt 2H J 36 56 | 13 12 t 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=CCC(=O)OCC(O)CO)CCCC(C)CCCC(C)C
ir: 48 30 77 49 35 38 29 20 47 20 2 9 8 1 6 3 6 12 4 4 12 20 9 5 2 3 4 3 7 8 6 3 3 2 2 4 5 3 4 3 8 5 7 3 4 3 3 3 4 5 5 4 3 4 3 4 4 8 2 0 4 2 4 5 8 7 8 19 8 11 8 14 13 30 12 7 3 2 4 4 2 4 5 10 10 28 90 27 37 100 45 5 26 9 1 7 14 14 7 6 7 3 6 5 5 5 3 8 7 5 11 5 11 4 2 3 7 7 11 28 6 24 8 6 16 6 6 9 7 11 7 6 5 3 2 1 2 2 3 1 0 3 6 21 91 5 1 3 2 0 0 2 1 0 1 2 1 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 3 3 3 3 4 5 10 3 8 3 5 5 8 15 19 56 35 13 12 2 5 2 1 1 3 7 64 36 2 1 3 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 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; 1HNMR: 54 54 tdt 1H J 13 25 71 | 43 43 dd 1H J 55 119 | 41 40 dd 1H J 56 118 | 38 37 dp 1H J 55 63 | 36 36 t 1H J 58 | 35 34 dt 1H J 56 119 | 33 32 dt 1H J 56 119 | 32 32 d 1H J 63 | 31 30 dq 2H J 11 70 | 20 19 m 2H | 16 14 m 6H | 15 12 m 4H | 12 11 m 4H | 11 10 m 1H | 9 8 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)NC(=O)c1c(F)cccc1Cl
ir: 1 6 2 4 2 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 2 2 7 7 5 9 4 2 1 1 1 2 2 2 1 5 2 5 28 17 4 4 5 8 32 68 22 23 12 6 4 4 4 6 2 2 2 0 2 2 1 2 2 1 1 1 1 1 1 1 5 3 4 3 1 1 1 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 3 7 7 1 1 2 5 2 11 21 14 18 17 11 8 4 3 4 6 14 68 7 5 1 1 7 52 12 3 2 1 3 3 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 4 28 22 7 4 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 4 3 1 4 22 100 43 24 12 3 5 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 td 1H J 51 80 | 74 73 dd 1H J 12 79 | 72 72 ddd 1H J 13 82 102
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(SC)c1ccc(C(OC)(OC)c2ccccc2)s1
ir: 18 26 12 9 12 15 14 10 8 5 5 6 3 4 5 4 3 5 4 3 3 3 4 3 3 4 5 4 14 12 14 18 21 42 2 6 6 5 4 3 64 23 8 5 7 8 6 6 5 6 11 8 5 5 4 4 4 9 9 7 30 49 13 21 5 9 9 3 12 17 6 4 5 6 15 9 8 6 9 6 4 3 3 3 9 11 7 4 4 3 3 3 4 5 7 9 9 21 5 6 6 4 3 4 5 5 6 10 38 48 12 18 21 18 11 12 16 19 48 9 0 8 12 12 12 27 9 5 17 7 10 4 2 7 7 37 9 6 6 1 2 11 19 89 48 9 2 9 15 6 3 5 11 4 3 5 4 2 2 5 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 5 5 5 4 3 3 3 3 4 5 5 14 15 10 8 21 37 19 20 100 54 59 26 11 6 5 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 3; 1HNMR: 74 74 m 2H | 74 73 tt 4H J 14 74 | 71 71 dd 1H J 7 62 | 70 70 d 1H J 60 | 48 48 dd 1H J 14 21 | 38 37 s 3H | 34 34 s 5H | 22 22 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)c3nccc(OC)c3C23CCCCC3)cc1
ir: 1 5 10 4 1 6 9 6 5 9 13 11 17 13 13 5 7 19 7 4 3 6 7 6 7 7 8 8 10 12 8 89 100 14 10 12 9 25 17 4 10 12 11 4 13 33 18 18 15 9 10 9 19 22 48 8 22 13 9 7 7 20 5 4 14 13 8 3 7 13 20 22 26 15 7 9 10 11 4 4 5 8 2 1 5 5 4 17 13 10 3 4 7 5 2 4 5 9 11 9 14 7 12 9 19 18 14 19 11 11 9 8 16 24 12 40 33 11 5 21 10 10 4 10 10 18 9 11 12 6 3 8 10 10 3 13 17 9 3 8 7 4 8 10 10 63 59 8 81 33 10 56 31 36 16 6 4 4 11 63 15 4 6 5 3 0 3 6 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 5 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 5 2 2 5 4 2 3 6 5 1 4 7 5 5 8 9 10 5 9 12 9 19 19 34 42 95 45 31 16 5 6 10 4 2 5 5 3 2 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5; 1HNMR: 86 85 d 1H J 46 | 72 72 dt 2H J 9 86 | 68 68 m 2H | 67 67 d 1H J 46 | 48 47 d 2H J 9 | 39 38 s 2H | 38 38 s 2H | 24 24 ddd 2H J 45 71 127 | 20 19 ddd 2H J 44 72 127 | 18 17 ddtd 2H J 45 60 72 134 | 17 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCc1c2ccccc2nc2ccccc12
ir: 1 1 1 2 1 1 3 1 0 1 1 1 0 0 0 3 1 1 0 1 2 1 1 1 1 1 1 1 0 0 1 2 0 2 1 1 1 1 1 1 1 1 9 21 64 64 7 3 1 1 4 7 12 3 1 1 1 1 1 1 1 2 2 3 3 2 1 1 1 1 1 1 7 8 6 13 2 1 1 0 1 1 1 1 1 1 5 7 5 1 0 0 0 0 0 0 1 1 0 1 0 2 5 2 2 1 1 3 4 2 1 1 0 1 3 5 9 1 1 1 1 1 1 1 1 4 3 1 0 1 1 1 1 3 2 2 7 24 13 3 2 1 3 7 1 1 3 2 2 7 57 20 2 7 5 2 10 14 15 4 2 1 3 3 1 1 1 5 3 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 2 2 1 1 1 1 2 2 7 13 66 100 29 22 7 4 3 2 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 2H J 14 87 | 80 80 dd 2H J 14 73 | 76 75 td 2H J 14 71 | 75 75 ddd 2H J 13 68 83 | 50 50 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(F)cc(Cl)c(N)c1Br
ir: 4 4 3 4 4 2 2 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 0 1 1 1 2 1 1 1 1 2 1 1 1 1 1 0 0 2 3 2 1 0 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 2 1 0 0 0 0 1 1 1 0 1 1 1 1 1 0 0 1 8 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 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 1 1 4 22 1 1 5 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 9 53 1 0 0 0 0 0 0 1 0 0 13 100 4 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 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; 1HNMR: 72 71 d 1H J 121 | 52 52 s 2H | 42 42 q 2H J 62 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CC(O)(c1ccc(Br)cc1)c1cccnc1
ir: 5 3 2 5 3 4 6 3 2 2 1 4 2 5 3 7 6 9 1 3 4 8 21 18 8 11 8 28 8 2 7 15 13 16 39 6 5 2 3 1 2 1 1 2 1 1 2 4 2 1 2 2 5 1 22 9 3 3 2 8 1 2 5 4 2 3 2 1 2 5 4 1 1 2 5 1 2 2 1 1 4 5 6 33 3 4 10 5 22 10 6 4 2 7 13 7 6 4 10 4 2 6 6 25 8 6 2 2 1 3 1 1 1 10 5 13 6 3 4 2 1 3 5 7 16 17 9 8 8 5 7 4 2 2 1 1 0 2 2 15 5 5 7 4 15 100 47 8 6 4 2 1 10 11 12 1 2 2 2 5 12 2 1 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 2 3 2 1 2 2 1 3 4 7 10 9 13 31 6 3 14 63 61 7 2 2 1 2 1 1 1 1 1 1 1 1 4 10 15 20 9 8 11 2 4 1 2 2 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 85 m 1H | 85 85 ddd 1H J 13 20 36 | 77 76 dt 1H J 20 75 | 75 75 m 2H | 73 73 m 3H | 68 67 q 1H J 46 | 46 46 s 1H | 31 30 s 0H | 30 30 d 3H J 46 | 29 28 s 0H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(CC)c2s1
ir: 2 1 2 1 1 2 2 3 2 3 2 6 2 3 4 4 3 4 5 7 7 9 22 13 10 3 3 2 3 3 6 5 4 5 5 10 12 41 23 11 5 5 1 1 5 12 7 16 23 24 11 5 4 1 2 2 3 3 5 2 2 2 1 1 5 5 4 14 18 1 2 3 4 1 2 6 4 15 11 2 7 14 2 2 3 3 3 1 1 1 1 1 1 1 1 1 2 2 2 3 14 4 3 1 2 2 4 1 4 4 2 8 7 8 8 7 4 6 7 6 7 4 5 4 3 7 6 12 19 7 6 3 5 3 2 2 4 5 1 21 6 14 4 16 28 100 15 6 5 2 44 7 27 14 3 5 22 8 2 1 1 1 2 0 43 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 3 3 1 1 1 2 2 3 2 13 7 4 17 10 1 1 1 0 1 1 3 26 17 2 1 2 1 0 0 1 2 1 1 2 12 6 12 41 13 14 3 4 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 87 87 s 2H | 81 81 d 1H J 22 | 77 76 dt 1H J 9 20 | 72 72 t 1H J 38 | 38 37 ddd 2H J 56 82 156 | 35 34 ddd 2H J 57 84 158 | 33 32 qd 2H J 37 61 | 29 29 qd 2H J 8 67 | 24 23 ddd 2H J 57 84 128 | 21 20 ddd 2H J 57 84 128 | 13 13 t 3H J 67 | 12 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(O)cc(-c2ccc(F)cc2)n1
ir: 1 3 23 12 23 6 4 2 5 18 20 16 6 3 2 10 12 14 15 5 6 3 1 3 2 2 1 2 2 1 2 2 2 2 3 2 2 1 2 2 2 1 2 3 13 13 4 1 2 2 2 3 3 3 7 7 10 10 8 3 2 2 2 6 7 7 6 8 5 4 3 1 4 16 27 39 40 20 24 12 13 3 5 3 1 2 4 9 7 1 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 4 7 3 1 2 3 1 1 2 3 2 2 2 2 2 1 2 3 2 2 2 3 2 1 2 2 2 2 2 2 1 1 4 14 71 76 5 0 18 19 10 17 3 2 1 2 7 7 25 29 1 1 2 2 5 6 2 2 1 2 2 2 1 1 2 2 1 2 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 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 1 2 1 1 2 2 1 1 2 2 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 3 2 3 3 3 2 2 3 3 3 14 30 24 16 12 2 3 2 3 1 100 88 10 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 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 1 1 1 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 76 m 3H | 71 71 m 3H | 66 66 s 1H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1NC(=O)c1cccc([C@H](C)Nc2nccc(-n3cnc4ccccc43)n2)c1
ir: 6 11 7 10 5 4 2 2 5 5 5 4 3 4 4 4 4 3 4 3 4 2 2 3 1 2 1 2 5 2 2 5 10 2 3 2 3 6 4 7 7 16 100 38 9 6 5 2 2 7 5 15 20 20 39 10 4 1 4 4 2 2 3 3 1 5 3 2 2 7 4 4 6 13 5 4 2 1 1 2 4 2 2 3 3 1 1 1 1 2 3 8 1 2 3 2 1 2 3 4 10 1 1 1 2 3 5 6 2 7 2 4 2 3 1 1 1 2 6 3 3 3 2 2 2 2 5 2 1 4 3 2 4 1 1 2 26 35 27 23 27 4 2 4 5 23 18 87 29 15 7 9 5 6 3 2 3 2 9 46 4 3 3 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 0 1 1 1 0 2 5 2 1 3 11 12 46 24 11 4 3 1 0 1 2 1 0 1 1 1 1 2 1 1 1 2 2 2 4 9 9 17 27 27 7 2 4 3 2 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 85 85 dd 1H J 15 71 | 84 84 d 1H J 44 | 84 84 s 1H | 79 79 dd 1H J 18 25 | 79 78 m 3H | 75 75 td 1H J 14 70 | 75 73 m 3H | 71 71 m 1H | 70 70 m 3H | 63 63 d 1H J 73 | 53 52 m 1H | 39 39 s 2H | 18 17 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ncccc2O)ccc1Cl
ir: 6 3 2 2 1 4 3 3 2 4 3 3 2 1 1 3 2 1 1 1 2 2 2 5 6 5 1 1 1 1 1 2 2 4 1 1 1 2 6 10 6 5 4 6 3 3 3 2 1 1 1 2 1 2 2 6 2 2 2 1 1 0 5 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 9 4 2 1 1 4 1 1 3 5 24 9 2 0 1 1 1 2 7 1 1 1 4 5 2 1 1 2 4 1 4 2 3 1 1 2 1 1 1 2 2 2 2 6 3 3 1 3 2 2 2 11 4 3 3 4 9 2 2 2 3 2 1 1 2 9 3 5 12 10 2 3 10 4 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 5 17 7 2 2 2 2 3 6 100 10 0 1 1 1 1 1 1 1 1 2 3 5 2 5 6 9 8 7 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 22 | 84 83 dd 1H J 21 39 | 80 80 s 1H | 79 78 t 1H J 61 | 78 77 dd 1H J 22 90 | 77 76 d 1H J 89 | 72 71 dd 1H J 38 82 | 71 71 dd 1H J 22 82 | 34 33 d 2H J 60 | 21 20 ddd 3H J 51 58 109 | 18 17 dt 3H J 57 130 | 16 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@@H](O)[C@H]1O
ir: 6 6 4 4 5 4 4 3 3 2 5 6 3 3 2 3 5 5 5 6 4 1 6 2 2 3 3 11 7 3 9 18 7 5 6 9 9 66 13 6 2 3 2 4 3 2 5 3 2 5 6 2 7 3 4 1 2 4 6 1 3 6 4 3 3 1 5 1 3 4 4 4 3 4 5 6 18 12 5 2 13 10 5 8 9 12 43 25 41 9 2 7 5 5 2 6 6 6 24 25 5 6 6 16 12 6 8 16 13 12 15 44 16 9 5 3 4 2 3 3 2 5 7 8 5 9 12 3 4 4 2 4 4 1 0 2 2 2 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 11 9 4 1 1 1 1 2 2 10 1 1 2 2 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 2 1 1 4 3 0 2 8 10 15 7 6 4 12 14 23 8 5 33 33 6 1 3 98 6 4 3 1 3 100 15 2 2 3 2 2 3 3 6 6 21 33 7 8 7 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 83 83 s 1H | 83 83 d 1H J 7 | 71 71 d 1H J 82 | 61 60 dq 1H J 11 43 | 55 54 d 1H J 62 | 54 53 t 1H J 45 | 53 52 d 1H J 46 | 46 45 m 1H | 44 43 m 1H | 42 42 tdd 1H J 13 38 47 | 40 40 m 1H | 39 39 ddd 1H J 35 44 121 | 39 38 m 2H | 37 36 m 2H | 36 35 m 1H | 23 23 m 1H | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(=O)c2c(o1)C(c1ccc(F)c(F)c1)CC2
ir: 0 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 2 1 1 1 1 0 0 1 1 1 0 10 0 1 1 1 1 1 3 2 1 1 1 1 1 0 1 1 0 0 0 1 3 2 1 3 3 4 31 35 2 4 1 4 2 1 1 0 1 1 2 4 1 1 1 1 3 1 1 0 1 1 0 0 1 1 1 2 1 3 2 1 3 1 1 1 1 2 0 1 2 2 0 1 1 1 0 1 1 1 0 1 2 1 1 2 2 1 0 2 1 1 1 1 3 1 0 2 2 2 1 1 1 0 0 1 1 0 1 1 2 0 1 5 2 2 1 1 1 1 1 1 1 6 18 2 3 1 1 1 1 1 1 1 1 5 100 7 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 30 2 2 1 0 1 1 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 11 9 46 2 1 1 1 1 0 0 1 1 3 2 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 0 0 0 0 0 0 0 0 1; 1HNMR: 89 89 s 1H | 73 72 m 2H | 71 70 m 1H | 39 39 ddt 1H J 10 46 56 | 26 25 dddd 1H J 9 53 71 148 | 25 24 dddd 1H J 11 53 71 148 | 22 21 ddt 1H J 53 71 125 | 19 18 ddt 1H J 54 71 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OCC(CCOCCN2CCCC2)O1
ir: 2 2 2 8 29 9 2 17 20 8 15 19 4 2 4 9 3 12 3 6 30 3 1 1 2 4 1 1 1 0 1 1 1 0 1 2 1 1 1 1 2 1 2 4 3 6 2 1 3 6 4 4 2 1 3 7 19 11 13 6 6 8 8 10 18 21 25 77 30 20 4 6 4 7 6 8 5 29 100 10 5 0 3 6 4 3 9 38 11 4 4 3 16 23 13 4 3 17 41 25 17 12 44 68 13 6 25 15 9 8 3 15 9 4 4 3 5 12 6 14 4 6 19 13 28 13 8 27 13 4 4 4 17 5 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 4 3 9 5 6 9 9 12 7 2 6 2 4 8 28 53 8 3 1 1 1 1 2 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 40 40 m 2H | 38 37 m 1H | 37 36 m 1H | 36 35 m 3H | 30 29 m 4H | 27 26 t 2H J 59 | 20 19 m 5H | 18 17 dtd 1H J 46 59 141 | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1OC)CC(c1ccccc1)CC2=O
ir: 0 1 0 1 0 1 1 2 1 2 2 2 2 2 1 1 1 1 3 3 1 1 1 2 1 3 1 2 2 1 3 35 9 3 4 2 1 2 1 0 3 11 3 0 1 1 0 0 1 1 1 3 5 9 13 2 1 1 2 3 3 2 2 1 1 5 1 2 4 4 1 2 2 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 3 1 2 1 2 1 2 7 2 9 1 0 1 1 2 1 2 3 1 2 1 1 1 1 2 3 1 2 1 4 6 27 12 3 1 1 4 1 1 1 1 2 3 11 5 3 2 3 2 6 3 3 13 6 5 10 1 3 1 0 2 29 1 10 2 0 0 0 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 1 1 1 3 2 1 1 3 2 3 4 1 6 7 13 100 28 6 4 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 90 | 73 72 m 2H | 73 72 s 1H | 72 72 m 2H | 69 68 d 1H J 92 | 39 38 d 6H J 26 | 37 36 m 1H | 34 33 dd 1H J 71 165 | 32 31 ddd 2H J 71 107 165 | 29 28 dd 1H J 71 163
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
ir: 4 2 2 1 1 1 2 2 3 2 1 1 2 10 3 1 1 4 7 4 4 4 7 5 5 7 12 48 13 15 25 17 22 17 15 3 3 4 2 14 11 42 27 7 4 5 3 3 2 2 2 1 3 3 1 2 2 5 17 2 1 2 4 0 2 2 2 0 9 10 4 1 1 1 1 1 1 5 6 9 26 9 7 6 16 10 3 5 14 6 15 7 8 11 15 14 12 25 10 12 20 13 8 5 1 2 2 1 1 1 2 2 3 2 1 2 3 3 3 4 7 2 2 3 2 3 3 4 4 5 3 5 4 3 2 20 4 5 2 1 1 3 4 12 18 10 5 3 2 2 1 3 8 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 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 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 1 1 1 2 3 19 2 27 100 33 11 50 69 53 13 3 2 2 2 1 1 1 1 1 1 1 1 1 0 1 0 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 1 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; 1HNMR: 75 74 m 4H | 74 73 m 4H | 73 72 m 2H | 43 43 t 1H J 59 | 41 41 d 1H J 10 | 37 36 q 2H J 62 | 27 26 t 2H J 64 | 24 23 m 4H | 22 21 m 4H | 18 17 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2[nH]1
ir: 3 3 10 6 3 5 4 7 5 38 10 5 16 2 2 3 4 3 4 6 4 38 8 5 9 5 9 7 10 3 4 4 2 3 2 5 2 3 2 1 2 27 3 3 53 40 4 3 2 3 7 11 12 6 3 4 6 3 2 4 3 3 5 6 4 3 2 6 21 10 5 4 4 14 42 15 6 3 3 2 2 9 2 8 36 4 5 6 14 2 2 2 2 9 6 3 2 3 4 2 2 2 2 13 2 3 4 11 14 5 3 2 1 3 13 3 2 3 4 3 1 3 4 2 5 5 11 10 5 3 3 1 1 2 14 5 5 21 3 1 2 13 32 3 3 3 17 6 2 100 2 5 4 3 2 7 2 1 2 2 3 4 28 3 47 0 2 4 2 0 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 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 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 6 5 21 12 29 9 17 7 3 3 3 2 2 2 2 1 2 2 1 2 2 3 2 2 2 2 2 4 18 9 71 11 3 4 3 2 3 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 93 93 s 1H | 80 80 ddd 1H J 8 18 76 | 78 77 m 2H | 75 75 s 1H | 75 74 m 1H | 74 73 m 5H | 38 38 s 3H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(OC2CCOC2)c1Br
ir: 0 3 5 4 0 3 4 1 0 3 4 10 12 5 5 3 6 4 10 6 3 12 11 7 3 4 4 10 20 8 5 2 2 3 10 21 4 4 3 1 2 5 4 5 12 94 67 81 91 25 11 20 29 13 4 1 6 9 6 2 4 7 5 3 6 6 6 2 8 10 7 3 20 27 28 33 25 6 4 5 5 11 7 2 5 12 10 6 4 4 3 7 12 23 4 1 5 3 1 2 5 11 8 10 25 20 10 7 8 9 6 8 12 8 5 4 6 4 4 7 7 5 6 11 13 4 3 5 4 2 4 5 12 20 4 4 6 1 6 82 36 13 12 3 3 3 2 3 3 2 3 4 3 1 4 69 73 17 12 10 5 1 2 3 2 0 2 4 2 1 2 3 2 0 2 3 2 0 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 9 6 4 3 9 7 9 10 11 6 2 8 9 6 22 29 82 81 42 100 21 9 4 4 5 7 4 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 3 2 2 2 2 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 72 71 t 1H J 78 | 69 68 dp 1H J 8 77 | 68 68 dd 1H J 13 79 | 50 50 tt 1H J 26 48 | 41 40 m 1H | 39 39 ddd 1H J 31 49 110 | 38 37 m 2H | 24 23 m 4H | 22 21 dtd 1H J 31 48 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccccc1Cc1ccccc1O
ir: 32 11 10 15 12 27 16 13 9 11 8 10 19 13 8 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 8 7 8 8 11 9 10 38 15 8 7 7 8 10 7 8 8 7 7 7 8 7 7 7 8 8 7 7 7 7 7 7 7 8 7 10 8 7 8 9 9 8 8 16 7 8 8 7 8 9 9 22 15 10 9 18 9 8 8 7 7 8 19 9 7 7 10 12 8 11 8 8 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 11 13 15 8 8 9 20 9 7 8 8 7 10 20 7 8 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 8 7 6 7 8 7 6 7 10 11 10 10 19 15 6 9 12 7 0 66 100 11 13 6 4 8 9 6 6 8 8 7 6 8 8 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 73 73 s 2H | 73 72 ddt 2H J 7 18 78 | 71 70 td 2H J 18 82 | 68 68 m 4H | 39 39 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C(=O)Nc1ccc(Sc2ccccc2)cc1F
ir: 4 4 3 1 1 1 3 2 3 2 1 2 2 1 1 1 1 2 5 1 1 2 1 1 0 1 1 1 1 5 2 2 1 1 2 2 2 2 1 5 100 7 14 40 27 10 3 0 2 4 2 1 2 0 6 29 5 3 6 2 3 3 1 3 3 3 4 21 9 3 1 1 1 3 3 6 13 17 6 12 5 7 6 5 5 10 9 11 2 2 1 3 2 1 1 1 3 14 1 2 3 6 12 13 5 1 0 1 1 1 1 8 2 1 0 1 2 6 2 2 1 1 0 7 2 1 2 9 4 1 1 1 1 2 14 7 7 2 1 1 1 4 53 12 4 2 14 3 9 25 2 6 8 21 3 1 3 2 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 2 2 3 3 10 3 6 37 43 7 7 6 3 7 7 51 7 4 3 3 1 1 2 1 2 1 2 2 4 2 6 34 65 10 4 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 92 92 d 1H J 29 | 76 76 dd 1H J 48 90 | 74 73 m 2H | 73 73 m 2H | 72 71 m 2H | 71 70 dd 1H J 21 121 | 46 46 s 1H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCC(CN)c1ccc(Cl)cc1
ir: 8 2 1 2 2 3 3 2 2 1 1 1 1 2 4 4 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 1 1 1 0 1 2 3 2 1 3 3 1 2 5 5 11 17 16 15 7 11 13 18 3 7 5 2 3 6 5 3 1 4 4 6 8 6 14 61 100 40 7 4 2 5 4 7 2 6 3 2 7 12 12 5 3 4 8 4 2 13 8 4 2 1 2 2 1 2 2 1 2 4 5 1 1 2 1 0 1 2 2 1 3 4 2 1 4 4 2 2 4 4 6 9 7 10 10 14 24 35 11 11 6 1 2 2 2 1 1 2 2 15 9 2 4 3 1 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 1 2 2 3 2 2 3 8 11 36 17 1 4 2 2 1 1 1 1 1 2 4 5 11 16 12 6 2 2 3 2 12 17 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 2H | 72 71 m 2H | 32 31 dtd 1H J 48 64 119 | 29 28 m 1H | 28 27 tdd 1H J 43 51 64 | 26 25 dt 1H J 87 119 | 25 24 dt 1H J 88 119 | 23 23 s 5H | 20 19 dtd 1H J 62 88 134 | 18 17 dtd 1H J 61 87 132 | 15 15 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCCI)cc1OC
ir: 5 5 5 4 4 3 2 4 4 3 2 4 4 4 4 5 5 6 4 8 6 4 6 11 11 3 2 4 3 2 2 3 3 5 6 7 7 4 6 8 6 5 5 8 8 7 4 3 3 2 3 4 9 29 60 26 10 0 7 7 11 13 16 5 11 8 13 13 24 16 7 7 4 7 6 5 4 3 5 5 2 2 4 4 2 3 17 10 10 16 17 13 8 8 5 4 2 3 5 11 14 11 11 4 3 3 4 6 4 4 9 8 6 4 6 9 5 11 8 6 10 5 6 8 8 6 9 5 3 3 5 3 2 4 5 5 2 3 3 2 4 4 6 13 3 4 4 5 8 32 33 8 9 15 8 6 4 4 3 2 3 5 7 2 3 4 3 2 3 4 2 1 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 4 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 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 3 3 5 5 7 8 8 7 4 6 5 6 5 6 44 15 23 100 77 47 21 12 5 3 2 4 4 3 2 3 4 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 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 2 3 3 2 2 3 2 2; 1HNMR: 68 68 d 1H J 84 | 67 67 ddt 1H J 9 18 84 | 67 66 dt 1H J 10 20 | 39 38 d 6H J 22 | 32 32 t 2H J 56 | 27 27 tt 2H J 9 74 | 21 20 tt 2H J 56 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCc1ccccc1)c1ccc(C(F)(F)F)cc1
ir: 3 2 1 3 6 3 1 1 2 3 4 3 2 2 1 2 3 1 2 5 4 5 3 2 2 1 1 2 2 5 19 6 15 3 1 2 3 2 2 21 22 16 22 3 5 4 4 2 1 1 1 1 1 1 2 6 8 6 2 3 2 1 1 2 2 2 4 2 6 2 2 3 2 1 2 3 2 5 2 2 1 1 1 2 2 2 4 4 2 10 2 2 1 1 1 1 2 7 9 21 5 3 1 1 1 1 1 1 2 2 2 4 99 24 5 2 0 2 2 2 3 3 4 7 2 5 6 6 2 2 5 8 3 2 3 2 6 4 1 2 3 3 25 100 35 40 27 20 4 2 4 6 5 4 5 2 1 2 1 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 1 1 2 1 1 3 4 7 5 32 35 48 15 5 1 2 2 2 1 2 2 2 3 3 3 2 2 1 2 3 5 7 8 6 35 26 9 9 3 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 4H | 78 77 t 1H J 49 | 73 73 m 2H | 73 72 m 1H | 72 72 ddd 2H J 8 16 76 | 35 34 q 2H J 52 | 29 28 tt 2H J 8 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(Oc2ccccc2)c(CBr)c1
ir: 0 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 0 1 1 1 0 0 1 0 0 1 1 1 1 9 8 3 1 3 1 1 5 6 17 26 32 7 6 9 6 4 3 4 1 0 0 2 2 12 60 24 4 2 1 1 1 1 0 1 2 1 3 11 20 12 1 1 1 1 2 2 1 2 12 1 1 2 3 4 2 1 2 7 8 4 2 1 2 1 0 0 1 2 7 3 1 5 2 1 1 1 1 1 10 4 1 0 0 1 1 3 1 1 1 0 1 1 0 1 1 1 3 1 0 1 0 1 1 1 2 15 3 1 1 1 1 4 21 17 10 14 7 2 2 21 11 28 28 6 3 3 2 0 1 12 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 2 1 1 0 1 2 3 7 9 22 31 100 79 21 8 6 2 1 2 1 1 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; 1HNMR: 74 73 m 2H | 72 71 m 2H | 70 70 t 1H J 14 | 70 69 m 2H | 69 68 dd 1H J 47 87 | 45 45 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)C(O)(CC(C)C)c1ccc2c(cnn2-c2ccc(F)cc2)c1
ir: 3 4 6 8 4 7 13 17 4 8 8 10 7 6 20 12 23 10 10 28 19 19 11 8 9 2 3 2 1 1 3 2 2 1 1 7 2 1 1 4 4 2 1 1 1 2 1 1 1 0 1 3 3 3 31 26 12 2 3 9 3 1 7 5 2 1 6 2 4 21 6 3 3 2 3 5 3 1 2 1 3 2 6 5 16 19 8 12 10 5 3 16 5 16 45 12 28 8 2 3 4 15 10 8 3 13 5 6 4 6 8 3 1 2 7 3 3 3 8 4 1 8 13 16 57 28 6 5 22 5 3 14 31 2 4 2 1 1 1 3 4 2 8 12 5 15 6 4 10 14 17 2 11 3 7 2 4 1 1 1 1 0 1 1 1 0 1 1 1 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0 0 0 1 1 1 1 1 0 1 1 1 0 0 1 1 1 3 3 2 1 1 3 1 2 2 3 4 1 7 23 23 9 36 100 26 25 16 35 92 49 4 2 3 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 d 1H J 17 | 80 79 t 1H J 19 | 77 76 m 2H | 75 74 d 1H J 77 | 74 73 m 2H | 73 72 dd 1H J 22 75 | 41 40 s 1H | 37 37 s 3H | 22 21 m 1H | 19 18 m 2H | 14 13 s 3H | 13 13 s 3H | 10 10 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCN(c2ccc(Cl)cc2)C1
ir: 2 2 2 3 3 2 3 3 2 3 4 5 6 4 4 5 4 9 9 8 15 8 20 9 17 6 5 4 3 2 2 3 3 3 3 2 2 2 2 2 2 3 3 2 2 3 3 2 3 3 3 2 4 21 26 14 5 7 3 4 4 8 5 3 5 8 5 3 4 3 4 4 2 3 3 8 6 12 8 14 9 13 5 5 4 2 3 6 3 3 3 3 4 9 7 6 5 4 5 3 3 3 8 6 4 3 4 6 7 6 4 7 7 4 3 3 5 5 3 2 3 3 3 3 3 5 5 3 3 3 3 4 3 3 2 3 3 2 2 3 5 3 5 7 9 3 3 13 46 49 8 0 3 12 4 1 2 4 3 1 2 2 8 4 2 4 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 7 7 3 5 8 9 23 21 9 3 4 6 7 3 4 5 100 42 5 6 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 73 72 m 2H | 69 68 m 2H | 41 41 m 1H | 39 38 m 1H | 36 35 ddd 1H J 54 73 125 | 34 33 ddd 1H J 53 71 125 | 28 28 ddd 1H J 39 46 84 | 23 22 ddt 1H J 48 71 121 | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1ccc2cc(Br)ccc21
ir: 6 10 8 84 69 16 0 7 8 30 25 6 8 2 0 13 30 62 27 7 7 4 3 5 3 2 2 3 4 10 82 9 4 1 2 4 4 3 2 4 9 2 5 5 3 1 2 4 3 1 3 5 4 0 73 5 9 3 4 5 4 3 5 7 4 3 27 70 3 1 3 4 2 1 3 4 2 1 4 4 2 2 9 4 2 4 11 3 1 2 4 5 2 2 5 14 5 6 7 5 22 18 4 11 23 25 5 4 1 3 4 3 1 3 4 3 1 30 12 19 13 10 16 11 26 23 9 15 7 14 22 14 3 4 4 2 2 6 9 38 11 6 4 3 8 8 5 3 22 47 13 30 15 23 15 2 74 38 6 3 3 3 6 3 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 3 4 5 7 2 2 3 2 3 3 3 5 10 9 11 66 14 18 51 100 7 77 44 7 4 3 6 6 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 81 d 1H J 83 | 80 80 t 1H J 22 | 75 75 m 2H | 68 67 dd 1H J 23 52 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(-c2ccn(CC(=O)O)c(=O)c2)c(-c2ccco2)n1
ir: 1 1 2 2 2 1 1 1 1 1 3 4 3 2 2 2 1 1 4 4 8 8 5 7 4 1 1 1 2 5 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 2 4 2 1 2 2 8 3 20 7 4 4 3 2 1 1 2 1 1 2 1 6 2 1 2 1 1 1 2 0 2 1 3 1 3 1 2 3 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 2 0 2 0 0 0 1 1 1 0 0 1 1 0 0 1 2 2 1 1 1 0 1 4 4 2 1 0 1 1 0 1 1 1 0 1 1 2 1 5 2 5 4 9 29 4 4 23 16 2 1 1 0 1 14 6 1 11 1 1 0 0 1 17 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 0 1 1 2 2 1 4 7 2 1 1 0 2 3 9 2 0 0 0 0 1 1 2 2 1 1 1 0 0 0 0 0 0 1 1 100 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 91 91 s 1H | 76 76 m 2H | 72 71 dd 1H J 13 79 | 70 69 dd 1H J 16 57 | 69 68 d 1H J 13 | 67 67 dd 1H J 11 57 | 65 65 s 2H | 46 46 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCCCn1nnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21
ir: 1 0 0 1 0 0 1 1 0 1 2 0 1 1 1 1 1 0 0 0 0 0 0 1 2 1 2 0 0 1 2 7 2 1 1 1 1 1 1 0 2 2 4 29 12 2 1 1 1 0 2 1 1 0 0 0 1 1 2 0 0 0 0 1 1 1 0 3 2 1 1 0 2 1 1 1 1 2 1 1 1 2 0 1 13 4 1 1 2 0 1 0 0 1 1 1 2 0 1 1 1 1 0 0 2 2 3 2 1 1 1 1 5 2 2 5 1 1 2 1 1 1 2 2 2 4 3 1 8 2 4 0 0 1 2 1 0 2 1 1 1 1 0 0 0 1 15 1 0 0 0 1 4 1 11 11 1 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 1 0 0 0 0 0 0 1 2 1 2 5 2 1 0 0 1 1 2 100 2 0 1 0 0 0 0 1 2 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 ddd 1H J 12 21 93 | 75 75 t 1H J 21 | 74 73 dd 1H J 83 94 | 70 70 s 1H | 69 68 ddd 1H J 13 22 84 | 46 45 t 2H J 71 | 39 38 m 4H | 37 36 m 4H | 26 26 q 2H J 47 | 25 24 d 3H J 49 | 20 19 p 2H J 74 | 19 18 h 1H J 48 | 17 16 tt 2H J 48 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1
ir: 3 3 4 2 2 3 4 4 15 5 10 5 7 8 9 18 7 11 11 18 53 68 100 30 7 11 7 4 5 5 6 1 2 5 3 5 9 4 3 3 6 7 3 0 1 2 2 1 1 2 3 2 2 7 9 12 6 6 6 0 1 2 1 0 1 2 2 10 14 9 2 1 4 5 4 32 51 18 16 50 28 6 3 5 4 3 7 9 9 4 6 7 5 2 2 3 4 3 9 52 13 7 8 3 5 8 5 8 14 25 5 11 4 4 4 2 4 10 13 5 3 4 5 15 7 6 6 5 3 2 1 1 1 1 1 1 1 1 1 2 2 2 4 13 20 19 37 7 3 2 28 7 6 5 1 3 4 1 1 1 1 0 1 3 7 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 3 3 5 4 3 2 5 3 4 20 8 14 67 15 6 3 2 2 1 2 1 10 93 14 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 83 83 dq 1H J 13 25 | 79 78 dd 1H J 22 75 | 71 70 d 1H J 75 | 39 38 s 2H | 21 20 dqd 3H J 49 57 106 | 18 17 dt 3H J 57 130 | 16 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H](CCCCO)C(=O)Nc1nc(-c2ccccc2)cs1)OCc1ccccc1
ir: 12 8 11 13 10 11 6 14 11 9 6 5 3 2 4 4 4 3 4 5 1 3 2 4 8 6 1 4 3 20 8 10 3 5 6 11 6 8 10 28 37 46 18 4 2 2 5 5 3 4 2 2 1 5 4 3 4 3 2 1 1 2 1 3 2 4 9 5 5 14 4 2 3 8 9 18 4 4 4 3 2 2 1 1 2 3 5 5 5 25 7 6 3 9 6 3 8 11 4 5 4 5 3 4 5 4 4 18 17 11 7 13 9 19 17 37 12 14 16 12 7 13 10 11 3 5 7 8 6 8 2 4 3 2 10 29 14 16 20 11 7 13 43 27 11 27 11 5 13 49 14 9 8 1 2 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 2 4 4 5 5 8 19 7 6 6 12 13 10 14 8 31 40 34 100 29 9 7 6 7 12 13 42 5 5 3 3 2 0 2 2 1 1 3 4 3 7 32 45 33 6 7 1 5 3 2 2 2 1 2 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H | 78 78 m 2H | 75 74 m 2H | 74 73 m 1H | 74 73 m 5H | 62 61 d 1H J 84 | 51 51 s 2H | 44 43 dt 1H J 57 85 | 36 35 m 2H | 27 26 t 1H J 58 | 20 19 m 1H | 17 16 m 1H | 16 15 m 3H | 15 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)CC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)ccn1
ir: 1 1 2 2 5 2 2 2 2 2 3 2 3 3 4 6 5 10 12 9 17 30 21 6 3 5 2 2 2 4 3 7 2 4 2 0 1 3 2 1 1 15 7 3 1 1 2 1 1 2 1 4 5 13 12 8 2 2 2 0 1 1 1 1 2 1 1 5 2 10 6 9 4 3 4 8 13 6 11 9 4 2 2 2 1 1 2 5 2 4 2 2 3 2 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 3 2 1 2 3 7 2 3 1 1 2 4 5 9 4 3 4 4 3 8 2 4 1 2 1 2 2 20 2 4 5 9 21 20 6 5 6 3 4 7 2 5 1 2 5 2 1 0 1 1 1 2 4 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 0 1 1 0 0 1 1 1 1 2 2 1 2 2 3 7 5 11 12 28 27 9 3 1 1 1 2 1 10 100 6 2 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 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; 1HNMR: 85 84 d 1H J 49 | 81 81 m 2H | 77 76 m 2H | 76 76 m 3H | 75 74 m 1H | 73 73 m 2H | 73 72 m 2H | 72 71 m 2H | 45 44 td 1H J 8 76 | 39 38 dd 1H J 75 168 | 36 35 dd 1H J 75 168 | 25 25 s 2H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc(OCCn2cccn2)cc1
ir: 8 9 7 7 6 6 8 10 15 19 12 13 7 7 6 5 5 5 5 5 5 6 5 6 9 7 6 6 6 10 11 7 6 5 5 6 6 6 11 15 29 21 13 7 10 13 8 9 8 4 8 21 20 100 80 0 9 13 8 3 6 8 6 5 15 9 7 7 17 14 8 9 7 7 5 5 6 8 5 5 7 16 7 6 6 8 14 14 9 13 20 12 7 8 7 11 8 7 5 5 6 6 5 6 6 6 5 5 6 6 7 9 12 8 5 6 9 11 5 7 7 6 6 7 12 10 6 7 8 20 10 8 7 6 5 6 6 5 6 8 10 17 36 10 13 30 42 22 21 23 18 25 13 11 8 7 7 6 6 7 6 7 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 5 5 6 6 6 9 8 7 6 6 9 6 6 6 8 6 8 18 34 79 37 28 61 66 15 18 13 8 6 7 7 6 5 6 6 5 5 6 6 5 5 5 6 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 74 73 m 3H | 72 72 d 1H J 31 | 69 68 m 2H | 62 61 t 1H J 31 | 45 45 t 2H J 37 | 43 42 td 2H J 9 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5OCC#N)n4n3)cc2)CC1
ir: 2 3 4 1 2 2 3 2 4 2 3 1 1 6 20 10 11 3 2 2 1 1 4 5 4 4 1 1 1 1 2 1 2 1 1 1 3 2 5 4 7 8 13 34 10 19 38 18 8 4 4 2 3 8 6 60 33 20 15 4 4 2 2 3 3 3 2 4 4 5 17 4 2 2 2 2 1 3 2 2 41 5 4 6 8 2 3 8 6 3 4 4 2 4 1 2 5 9 11 10 5 4 3 9 18 24 4 2 2 2 19 5 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 3 2 1 2 0 1 12 10 3 3 7 4 6 5 21 11 9 6 17 27 14 20 12 2 5 4 10 29 100 12 3 1 2 5 3 3 8 5 11 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 2 7 3 15 55 21 41 11 6 2 1 1 1 1 1 1 0 1 2 2 1 1 2 1 1 2 6 5 13 54 51 11 3 2 2 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; 1HNMR: 89 89 s 1H | 88 88 s 1H | 77 77 dd 1H J 13 70 | 75 75 m 2H | 74 73 td 1H J 13 77 | 72 72 td 1H J 13 73 | 71 71 dd 1H J 12 78 | 69 69 m 2H | 65 65 d 1H J 55 | 64 64 d 1H J 55 | 49 49 s 2H | 33 32 m 4H | 32 32 dt 2H J 49 114 | 29 28 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(C(=O)c3cc(F)ccc3F)CCN4)cc2)CC1
ir: 10 8 9 14 8 11 4 3 8 12 6 4 6 24 21 27 14 14 7 6 11 10 4 2 2 1 2 2 4 2 7 3 6 12 7 6 4 1 23 52 50 39 5 18 10 7 4 3 6 5 1 4 12 65 33 8 3 7 11 8 2 8 1 5 14 3 4 11 9 12 5 3 1 1 3 9 3 4 4 15 3 1 2 4 5 8 8 4 1 1 8 9 37 4 5 3 11 15 3 7 6 5 10 3 1 1 1 1 2 2 7 9 10 12 5 3 4 6 4 18 50 18 20 43 18 12 10 6 9 16 9 8 7 9 4 9 4 3 3 3 3 26 22 21 47 28 100 31 17 8 36 22 8 12 4 10 8 1 1 3 4 3 2 0 2 24 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 2 3 4 3 1 1 3 1 2 8 20 13 31 39 24 10 5 7 4 2 2 1 2 1 1 1 1 1 1 1 2 1 2 2 3 8 5 22 10 26 15 17 19 7 6 3 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 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 81 d 1H J 16 | 80 80 d 1H J 16 | 79 78 m 2H | 77 77 m 3H | 74 72 m 2H | 69 68 t 1H J 36 | 43 42 m 2H | 38 37 m 4H | 34 33 ddd 2H J 35 62 113 | 33 32 ddd 2H J 35 62 114 | 28 27 ddd 2H J 35 62 114 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1ccc(NC(C#N)c2ccc(S(N)(=O)=O)cc2)cc1
ir: 3 4 3 4 4 4 2 4 5 2 1 1 1 3 2 2 3 4 3 2 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 2 14 22 2 1 1 1 1 1 6 1 1 1 1 0 1 2 1 1 1 1 2 1 2 1 3 4 4 6 4 8 8 15 32 18 9 4 3 5 16 2 1 1 1 2 1 2 2 1 1 2 2 11 2 1 1 2 1 1 1 2 2 2 4 5 15 36 12 3 2 1 1 1 3 1 0 1 1 0 0 0 0 0 1 1 1 2 3 1 0 1 1 0 1 4 4 7 3 1 2 2 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 2 1 2 1 5 7 4 1 3 1 1 0 1 1 0 0 1 1 0 0 1 1 1 4 21 5 4 10 15 100 50 16 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 77 76 m 2H | 73 72 m 4H | 68 67 m 2H | 61 60 m 1H | 41 41 d 1H J 71 | 30 29 q 2H J 63 | 13 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COCCc1cccc(Cl)c1Cl
ir: 2 1 2 2 2 2 5 10 2 3 2 2 3 7 3 3 6 5 9 21 44 85 60 12 6 3 2 3 2 2 1 1 2 1 2 7 7 1 2 2 2 4 2 3 5 15 13 10 10 6 2 3 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 4 2 6 3 4 6 3 3 4 4 9 32 100 6 5 2 2 4 7 4 9 5 3 2 5 2 2 1 2 4 5 7 4 5 2 2 2 2 4 2 1 2 2 2 3 2 1 1 1 2 1 2 4 2 2 2 3 2 2 1 3 3 3 9 4 2 3 2 2 2 3 3 9 7 3 6 16 6 3 2 2 1 2 1 1 1 2 3 27 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 1 2 3 7 9 16 18 7 5 3 3 4 0 2 5 0 37 35 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 71 70 ddt 1H J 8 37 53 | 41 41 s 2H | 39 38 t 2H J 62 | 29 29 td 2H J 9 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)n(C)c2c1
ir: 13 8 10 8 2 16 20 65 6 16 34 22 28 11 16 7 25 15 29 45 84 55 48 44 24 20 7 11 6 6 5 5 11 10 6 11 15 33 26 26 26 11 6 5 5 6 3 6 7 5 4 5 9 6 42 27 18 28 13 4 2 2 4 8 5 4 22 12 8 34 4 7 6 2 13 11 15 55 35 36 35 15 13 12 9 10 12 8 6 6 4 6 6 4 2 5 5 3 7 4 3 8 21 9 6 26 17 13 9 10 10 13 11 19 5 5 11 8 11 17 23 22 7 52 15 18 21 12 5 5 8 6 16 14 27 7 14 11 20 12 40 20 16 57 32 72 48 33 11 8 11 72 21 24 18 7 3 3 2 2 2 3 3 29 3 4 1 0 1 2 1 1 2 3 2 1 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 2 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 1 2 3 2 1 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 3 6 6 5 2 4 5 4 6 7 4 24 7 57 34 53 14 11 6 4 7 7 9 54 100 33 10 5 3 3 3 3 2 3 3 7 12 25 57 42 6 13 7 4 2 3 3 1 1 2 2 2 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 77 77 m 2H | 76 76 d 1H J 79 | 70 70 d 1H J 20 | 70 69 dd 1H J 21 78 | 67 67 m 2H | 58 57 d 1H J 75 | 45 44 m 1H | 38 38 d 5H J 165 | 36 35 t 2H J 63 | 30 30 s 2H | 27 26 t 2H J 63 | 23 22 dp 1H J 55 70 | 18 17 m 2H | 16 15 m 2H | 15 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccc(C(=O)O)cc2[C@H](Nc2ccc(F)cn2)[C@@H](C)[C@@H]1C
ir: 11 45 9 35 3 14 6 12 9 5 12 8 28 21 19 13 19 5 10 21 34 100 0 23 8 7 5 11 9 7 6 7 29 11 93 17 10 3 5 5 3 8 2 2 1 1 1 1 2 5 2 2 47 70 35 4 15 1 3 3 1 5 2 5 4 2 3 4 8 29 7 9 3 4 4 4 15 31 35 13 18 15 6 8 9 10 6 6 5 8 4 3 4 10 15 20 2 2 2 4 7 3 21 5 3 3 6 4 3 2 2 3 3 8 8 11 54 16 12 6 26 10 13 9 6 10 8 10 11 10 37 7 3 5 10 8 6 10 51 43 9 4 5 2 2 39 11 9 3 47 96 44 30 16 9 8 3 2 2 1 99 3 4 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 1 2 2 2 2 3 3 2 8 7 6 9 17 3 20 44 58 36 9 4 4 2 2 1 54 38 18 2 1 1 1 3 4 2 1 1 3 33 17 43 23 5 6 4 2 1 2 2 1 1 4 3 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; 1HNMR: 82 81 dd 1H J 19 141 | 81 80 m 1H | 79 79 dd 1H J 20 86 | 74 73 m 2H | 69 68 dd 1H J 43 77 | 64 63 d 1H J 86 | 52 51 m 1H | 42 41 m 1H | 23 23 s 2H | 22 21 m 1H | 13 12 d 3H J 77 | 10 10 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(O)Cc2ccccc2)ccc1F
ir: 1 2 1 2 2 2 3 1 1 3 3 3 1 2 1 3 1 2 1 1 2 6 3 1 2 2 2 2 1 6 12 13 1 1 4 3 5 10 15 8 28 18 7 1 1 4 3 2 2 1 1 0 1 5 32 26 2 1 1 2 1 15 9 1 3 4 13 9 36 39 5 2 3 3 1 2 1 4 1 1 1 3 3 6 38 61 15 36 41 100 10 4 5 3 4 3 3 9 2 1 1 2 1 0 1 1 0 0 3 4 2 1 1 1 1 1 1 1 1 2 3 2 0 1 1 4 4 2 2 1 2 3 3 1 23 13 1 1 1 0 0 5 26 8 2 0 3 1 2 17 2 1 5 2 4 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 9 7 22 71 75 5 2 3 2 1 5 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 6H | 72 71 dd 1H J 82 101 | 71 70 m 1H | 70 69 ddd 1H J 7 19 29 | 51 50 m 1H | 39 39 s 2H | 32 31 d 1H J 55 | 31 30 ddt 1H J 9 69 143 | 28 27 ddt 1H J 10 69 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCc1nc(NC(=O)C2c3ccccc3-c3ccccc32)cn1CC(=O)OCC
ir: 5 8 10 3 3 5 4 6 3 7 4 6 2 2 5 2 2 3 2 3 2 3 3 2 4 4 6 3 3 3 2 3 2 3 5 4 7 3 7 100 17 0 28 10 9 4 4 2 2 2 5 3 4 3 3 3 4 5 3 1 2 2 2 1 2 3 2 3 3 3 2 4 10 6 7 12 4 3 2 4 4 3 5 8 9 4 2 4 6 4 38 3 4 2 2 3 3 5 4 7 8 5 11 7 3 17 24 15 6 7 2 8 8 12 10 10 4 12 18 18 20 24 12 6 6 3 3 4 6 4 4 3 7 4 4 25 7 2 3 9 61 14 11 14 10 6 10 10 11 4 15 2 2 3 2 1 1 2 1 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 2 1 1 1 2 1 1 2 1 1 2 2 2 2 3 1 4 5 3 5 5 7 9 20 7 11 6 23 16 44 42 13 30 51 89 24 8 6 4 2 4 3 2 1 2 2 1 1 2 2 2 1 2 2 1 2 3 22 13 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 79 78 m 2H | 78 77 m 2H | 75 74 m 4H | 74 73 t 1H J 9 | 50 49 m 3H | 43 42 q 2H J 65 | 27 26 t 2H J 66 | 17 16 p 2H J 69 | 15 14 pd 2H J 7 68 | 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.
O=C(COCCCOCc1ccccc1)OCCCOCc1ccccc1
ir: 2 1 1 2 2 1 2 3 2 1 3 1 1 1 1 2 1 1 4 6 6 7 7 7 4 2 3 2 5 6 10 11 10 3 1 8 4 27 7 22 48 4 3 5 2 4 1 2 2 3 4 3 4 1 1 1 2 1 1 3 2 1 2 4 5 2 3 11 23 12 12 5 16 13 5 6 4 3 5 2 1 1 1 1 1 1 1 2 9 11 2 1 2 2 2 2 3 19 10 7 4 4 3 1 1 1 1 2 2 3 2 2 1 2 2 2 3 3 4 6 7 4 2 5 2 4 2 3 2 2 2 4 3 5 22 16 6 4 2 2 2 4 12 17 33 9 7 4 1 2 3 9 4 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 4 4 6 4 2 1 3 2 1 6 9 10 17 28 100 37 29 6 0 2 6 3 1 3 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 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 11H | 45 44 q 4H J 9 | 42 41 t 2H J 68 | 41 40 s 1H | 36 35 m 6H | 20 20 p 2H J 67 | 19 19 p 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=Cc1ccccc1)C(=O)O
ir: 1 1 1 1 1 2 1 1 2 5 15 15 14 7 3 6 4 4 5 41 22 50 7 13 5 5 6 5 7 2 11 9 15 26 30 18 16 5 7 4 12 23 8 19 2 2 1 1 1 2 4 1 4 2 1 0 2 2 1 2 2 4 1 1 3 1 1 1 4 6 1 2 4 2 3 3 14 45 100 25 1 2 2 3 6 5 5 5 1 1 2 2 2 1 1 0 0 1 1 1 2 8 3 2 1 1 1 7 13 14 4 1 3 3 1 1 1 1 1 1 1 2 1 2 3 5 5 6 3 1 1 3 2 6 8 5 5 1 1 1 3 5 5 11 17 20 38 1 1 4 3 6 4 4 2 4 4 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 0 4 7 12 7 24 22 23 6 5 2 1 1 2 83 92 59 97 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 75 m 3H | 75 74 m 2H | 74 73 m 1H | 26 25 qd 2H J 15 74 | 12 11 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(=O)OC)c(OC)nc1-c1cc2cc(CN3CCCC3)n(C)c2s1
ir: 2 21 18 11 7 8 8 5 9 5 3 3 1 6 3 4 4 7 13 4 2 3 7 4 2 3 9 3 5 3 5 15 15 3 4 2 6 9 22 35 43 39 16 12 6 11 27 16 7 11 4 4 6 9 6 9 35 13 5 17 11 8 8 2 6 10 10 25 12 7 5 6 9 28 6 14 25 26 48 11 6 7 6 17 17 5 3 10 9 8 6 9 6 11 4 4 11 12 13 13 5 19 70 6 13 10 19 13 11 9 10 9 11 11 13 11 5 3 5 8 5 5 9 6 8 7 22 16 39 5 4 7 17 45 21 9 5 3 9 12 31 100 41 9 5 4 10 36 3 4 4 5 91 29 4 6 6 1 2 6 19 3 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 3 1 1 3 2 1 2 3 3 1 2 3 5 1 2 3 3 1 5 7 5 1 3 6 6 7 42 14 7 35 24 30 11 2 3 3 2 1 2 3 2 1 2 3 4 2 3 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 81 81 t 1H J 9 | 75 75 d 1H J 22 | 69 69 dt 1H J 9 20 | 40 40 s 3H | 39 38 s 3H | 37 37 d 2H J 10 | 36 36 s 3H | 29 28 m 4H | 26 26 qd 2H J 9 77 | 19 18 p 4H J 19 | 13 12 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C=O)c2c(C#Cc3ccccc3)ccnc21
ir: 1 1 1 2 2 3 4 6 1 2 2 1 0 1 1 1 1 6 9 100 29 5 1 2 1 5 1 3 4 1 5 1 1 0 1 4 12 14 8 58 43 15 5 66 52 3 5 11 14 7 3 5 4 1 1 1 0 3 2 1 1 1 3 9 17 18 8 10 7 14 8 4 19 46 12 2 4 12 2 2 1 1 0 0 1 2 1 1 1 0 0 1 1 1 3 2 1 1 1 2 9 1 1 3 7 42 12 11 1 3 1 2 1 6 47 14 1 1 1 11 5 4 2 1 2 3 3 2 1 1 1 1 1 7 10 3 14 2 2 0 3 37 14 11 5 9 6 4 4 84 68 8 17 8 3 19 46 5 12 19 80 3 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 1 1 4 1 1 1 1 2 1 2 5 2 6 10 30 37 100 91 36 29 33 4 1 3 1 2 1 1 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 35 | 80 79 s 1H | 76 76 m 2H | 74 73 m 5H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccn3ccnc3c2)cc(C)n1
ir: 0 1 1 1 0 1 1 2 1 1 3 3 2 3 3 1 4 5 12 7 2 3 2 1 1 2 1 1 1 2 2 3 3 4 1 3 2 4 1 1 2 0 6 16 4 3 12 13 9 12 6 1 2 2 3 11 6 3 4 6 2 2 1 2 9 7 4 10 8 5 16 8 3 2 1 2 3 3 8 14 10 17 1 1 2 4 3 1 2 3 22 16 2 18 9 4 3 27 17 3 3 3 5 8 9 18 13 4 7 21 5 21 16 4 1 4 2 9 6 6 2 2 5 8 2 3 3 3 2 10 23 14 4 3 3 2 2 1 2 6 2 14 1 13 6 8 7 4 3 2 1 1 1 3 5 7 4 3 3 4 4 3 2 2 2 1 1 3 9 7 2 3 4 3 10 3 4 4 3 4 10 5 5 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 7 5 2 2 2 2 3 2 2 3 7 7 14 18 100 47 49 67 5 14 19 49 20 8 4 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 90 d 1H J 73 | 79 78 d 1H J 40 | 78 77 m 2H | 74 73 dd 1H J 13 73 | 70 70 s 2H | 25 24 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1Cc2cc(-c3nn[nH]n3)ccc2N(Cc2ccccc2)C1)OC1CCCCC1
ir: 2 2 1 1 2 4 31 6 2 3 2 2 3 2 3 2 2 1 2 2 3 3 3 5 7 8 4 3 2 3 4 6 6 6 5 3 6 3 4 1 37 15 29 43 10 15 4 2 5 36 5 6 4 4 8 15 4 1 1 3 2 2 1 1 1 2 5 8 9 4 3 2 1 1 2 5 2 5 5 6 3 3 6 3 2 2 2 2 8 18 5 5 6 5 15 2 4 6 6 3 6 11 46 6 3 5 2 5 2 4 3 6 7 8 8 3 3 2 8 3 5 4 4 3 6 11 3 3 3 5 2 3 4 16 10 18 10 16 11 1 100 1 9 9 11 41 39 7 8 50 3 4 4 6 7 4 2 1 1 2 1 0 1 1 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 2 3 2 4 6 3 18 11 12 18 28 9 6 3 3 2 2 2 2 1 1 1 1 1 2 1 1 1 1 3 1 3 11 38 10 1 77 5 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 1H J 22 86 | 78 77 dd 1H J 10 21 | 73 72 m 6H | 71 70 d 1H J 87 | 50 49 d 1H J 88 | 47 47 m 1H | 46 45 m 2H | 42 41 m 1H | 38 37 dd 1H J 38 119 | 36 35 dd 1H J 38 119 | 32 32 ddd 1H J 9 62 148 | 29 28 ddd 1H J 8 61 148 | 19 18 m 2H | 17 16 ddq 2H J 61 97 121 | 16 15 m 3H | 16 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(N2CCOCC2)nn1
ir: 7 9 6 3 2 2 2 4 2 2 2 3 4 3 4 7 13 5 1 2 1 2 3 3 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 4 14 5 4 3 2 5 4 2 1 1 1 2 1 1 1 1 1 1 1 4 4 1 2 3 5 42 20 5 4 3 1 2 2 3 1 2 4 5 1 2 2 3 2 2 2 3 3 2 2 1 1 6 9 3 2 2 2 3 4 3 1 3 2 1 1 1 1 3 6 3 2 1 1 1 2 2 2 1 3 2 3 6 4 8 20 17 4 2 1 2 2 11 4 1 1 2 4 9 5 2 1 1 1 1 1 3 9 2 1 1 1 1 0 0 1 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 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 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 4 3 9 7 9 6 2 3 3 1 8 59 100 29 6 2 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 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: 97 96 s 1H | 70 69 d 1H J 88 | 66 65 d 1H J 90 | 38 37 dd 4H J 48 56 | 36 36 dd 4H J 47 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1C[C@@H](CO)[C@H](c2ccc(O)cc2)[C@@H](O)C1
ir: 4 3 4 6 15 8 5 14 2 9 25 9 2 5 6 5 4 3 3 2 3 3 4 1 2 1 2 3 4 4 6 3 3 2 6 4 2 5 6 10 21 5 3 2 1 3 1 3 2 1 6 11 4 10 9 15 12 2 2 4 4 3 5 2 3 6 2 1 3 18 2 2 3 7 4 5 3 7 12 10 13 11 25 11 9 20 21 37 31 98 65 27 7 6 9 6 3 4 7 4 3 3 1 2 3 2 3 3 2 2 3 2 6 2 1 2 6 8 6 14 8 8 10 6 5 2 2 3 3 1 3 5 2 3 5 15 3 3 8 6 2 1 5 3 2 1 5 2 33 11 30 22 11 3 1 1 1 0 0 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 2 3 3 2 5 2 1 2 3 3 3 2 4 4 4 4 3 3 8 12 6 41 29 18 11 7 2 3 13 16 100 91 15 5 4 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 76 76 s 1H | 74 73 m 5H | 71 71 m 2H | 67 67 m 2H | 52 51 s 2H | 43 43 tdt 1H J 27 54 67 | 38 37 m 3H | 36 36 dd 1H J 33 115 | 36 35 m 2H | 34 33 dd 1H J 60 115 | 28 28 m 1H | 24 24 t 1H J 55 | 23 22 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccccc2)nc2sc3c(Cl)nc(Cl)nc3c12
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 5 1 1 1 1 1 2 2 1 1 0 1 1 2 0 3 100 11 4 1 0 2 2 1 0 1 1 1 5 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 4 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 1 2 1 0 1 1 1 2 2 1 1 1 1 1 1 1 3 2 27 9 1 1 1 1 1 1 1 1 1 1 1 1 2 9 2 1 5 5 2 3 2 1 2 68 77 4 1 3 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 4 4 11 6 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 85 84 m 2H | 76 75 m 3H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCBr
ir: 0 3 5 2 1 2 4 3 1 3 4 6 4 2 3 2 1 3 3 1 1 3 3 2 1 4 4 2 1 4 5 3 5 5 6 32 21 28 34 11 21 19 14 3 7 6 5 3 3 4 4 1 3 3 3 1 6 7 3 4 4 6 3 1 3 6 3 2 3 3 4 3 4 4 3 5 6 3 1 1 3 3 1 1 2 3 2 2 5 3 2 2 3 3 1 3 5 7 5 15 34 50 17 23 42 67 100 50 21 33 12 9 8 17 13 35 9 23 29 48 53 21 13 6 7 5 7 9 8 4 4 4 5 3 1 5 4 2 1 4 3 1 2 3 3 2 2 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 2 1 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 3 3 3 1 2 4 3 2 4 13 14 21 22 33 31 34 12 17 21 14 11 31 23 74 67 58 26 3 9 7 5 4 3 4 2 2 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 1 2 3; 1HNMR: 34 34 t 2H J 47 | 18 17 tt 2H J 48 75 | 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.
CCOCc1nc2cnc3ccccc3c2n1CC(=O)CC
ir: 2 6 8 5 1 9 12 7 7 12 14 10 7 7 8 5 10 10 10 7 10 13 9 6 8 17 14 9 8 8 7 5 5 6 6 3 5 6 7 6 13 5 16 41 42 20 11 1 14 24 12 3 6 11 6 2 5 10 9 4 7 15 9 1 5 9 5 0 22 26 14 11 13 10 15 26 16 7 4 4 5 6 4 4 6 10 13 5 8 6 18 9 11 7 5 9 8 12 6 6 7 5 3 4 6 5 3 7 10 5 3 6 8 8 11 8 12 11 10 8 14 11 20 10 16 14 7 8 15 9 8 12 10 9 38 20 26 8 28 11 21 16 16 11 6 7 7 10 28 42 12 13 20 6 4 10 36 12 4 13 17 3 4 7 5 5 11 7 4 2 4 7 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 3 3 5 6 3 3 5 5 3 3 5 6 3 3 5 5 3 3 5 5 3 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 5 7 7 5 4 8 7 5 10 11 7 3 6 12 10 9 22 39 23 100 22 16 9 16 8 8 5 4 6 6 4 4 5 5 4 3 5 5 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 4 3 4 5 4 3 4 5 4 2 4 6 4 2 4 6 4 2 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 90 89 s 1H | 84 83 dd 1H J 13 77 | 81 81 dd 1H J 14 81 | 77 77 ddd 1H J 13 69 81 | 77 76 ddd 1H J 13 69 82 | 47 46 s 2H | 46 46 s 2H | 36 36 q 2H J 60 | 25 24 q 2H J 69 | 12 12 t 3H J 60 | 11 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4N4CCCC4)CC3)c2cc1OC
ir: 5 5 3 5 4 3 2 3 2 3 1 2 1 2 3 5 6 4 4 4 4 2 2 3 11 9 10 9 4 4 3 6 5 6 20 8 7 10 6 5 9 13 70 19 7 3 6 8 12 40 38 28 7 5 4 16 12 6 4 11 12 8 5 11 13 9 13 29 44 23 10 2 32 9 5 4 1 2 2 2 6 16 16 8 4 6 7 8 12 21 7 12 9 8 10 12 2 10 8 13 11 9 12 10 13 7 6 9 4 4 3 4 4 5 2 10 8 13 11 4 4 6 7 19 8 5 3 6 2 3 2 1 1 1 2 2 4 5 6 20 6 24 30 87 28 20 18 18 6 51 40 5 7 3 28 66 100 7 3 1 2 3 2 0 1 2 7 51 4 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 3 2 3 2 4 7 7 7 1 16 6 27 28 34 34 10 4 6 2 1 1 1 1 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 s 1H | 72 72 s 1H | 69 68 dd 2H J 35 56 | 68 67 dd 2H J 34 56 | 41 41 m 4H | 39 39 s 2H | 39 38 s 2H | 36 35 td 4H J 19 35 | 35 34 m 4H | 30 29 p 1H J 56 | 21 20 p 4H J 20 | 12 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1
ir: 1 1 2 4 1 2 1 1 1 1 2 2 2 9 1 4 2 2 3 10 16 100 78 33 0 3 3 0 3 22 18 2 2 1 1 1 1 2 1 1 1 1 1 1 2 3 6 3 5 4 1 1 1 0 16 30 3 2 1 0 1 1 1 10 11 2 1 2 3 11 9 0 2 2 1 0 2 14 14 3 3 9 8 1 1 1 1 3 9 12 5 1 1 2 30 2 2 1 1 18 7 1 1 1 1 1 11 3 1 1 1 2 17 4 1 1 5 3 1 1 2 1 1 15 5 18 4 2 1 1 21 4 1 1 1 1 1 1 1 1 1 1 1 4 11 31 9 2 1 0 0 1 1 0 1 10 12 12 4 4 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 26 37 6 4 1 1 1 1 0 21 24 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 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: 93 93 d 1H J 17 | 87 87 t 1H J 19 | 84 84 dt 1H J 10 19 | 82 82 dd 1H J 21 113 | 78 77 dp 1H J 15 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
ir: 2 2 6 3 9 5 4 2 5 4 12 4 9 11 2 1 2 2 2 8 15 5 9 10 11 8 3 6 7 7 2 4 7 4 4 2 6 16 43 23 37 22 8 14 9 11 7 20 24 18 3 1 6 7 2 22 30 4 3 5 2 1 2 4 4 7 5 9 7 3 2 1 2 3 3 2 2 3 1 1 3 5 2 2 3 1 2 5 6 2 1 1 0 18 5 3 8 14 2 1 3 6 20 10 31 15 3 10 2 1 1 1 2 5 5 2 5 4 9 5 14 12 8 3 4 3 4 3 22 18 2 1 0 0 1 0 1 1 4 16 23 17 3 9 29 8 86 36 21 1 11 26 22 37 86 10 10 88 17 6 7 2 4 11 52 9 1 0 1 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 2 1 2 2 3 1 4 1 5 5 8 15 6 16 69 44 14 4 4 1 1 3 2 1 2 2 1 2 0 2 1 5 3 3 2 3 31 27 71 59 100 22 11 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 100 100 s 1H | 87 86 s 1H | 85 84 d 1H J 24 | 80 80 d 1H J 139 | 76 75 m 2H | 75 74 m 3H | 74 73 m 1H | 69 69 m 2H | 42 41 m 4H | 37 36 t 2H J 49 | 36 35 s 2H | 34 34 s 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1F
ir: 5 3 0 4 6 5 2 3 4 2 3 5 4 2 2 6 7 6 3 4 4 4 9 5 4 2 1 3 3 2 2 6 3 2 5 4 8 4 5 4 4 11 47 86 20 31 67 92 28 11 8 7 9 2 25 16 6 3 4 5 3 1 3 5 3 1 5 6 13 14 7 9 5 1 5 8 10 3 5 4 2 1 5 4 1 1 3 4 10 8 25 12 2 2 5 9 18 4 4 4 2 2 4 4 3 10 6 4 1 3 4 5 3 4 10 3 1 3 4 3 1 5 7 4 4 5 8 4 7 4 11 2 3 4 4 5 13 98 11 4 4 20 19 11 59 25 5 7 6 12 8 7 57 33 6 6 6 4 4 3 7 5 5 3 3 5 4 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 2 3 4 3 2 2 4 4 2 3 5 3 3 5 9 17 11 38 91 61 27 11 9 5 5 4 5 4 2 4 3 3 2 4 4 2 2 4 4 5 4 4 16 18 97 100 22 10 4 6 6 5 2 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 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 dd 1H J 13 82 | 76 76 dd 1H J 15 83 | 76 74 dtd 2H J 14 78 269 | 74 74 dd 1H J 21 91 | 73 72 ddq 1H J 11 47 91 | 72 72 dd 1H J 22 121 | 23 23 dd 3H J 10 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(c2cccc(F)c2)CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1
ir: 1 5 5 6 3 5 4 3 2 2 3 6 1 2 2 2 3 3 3 6 2 9 7 7 13 20 64 4 9 4 4 2 16 9 5 18 12 25 11 7 4 11 11 17 3 2 6 43 6 3 4 1 4 4 2 3 3 6 5 1 2 5 2 1 4 5 3 9 7 8 4 4 2 3 9 2 2 4 4 1 5 3 1 1 3 3 1 5 3 3 1 3 4 6 8 7 18 3 1 5 4 4 3 3 10 8 8 6 33 4 4 7 6 6 2 11 9 15 5 9 9 10 4 3 3 3 4 4 6 7 3 5 5 4 4 3 4 14 3 6 9 11 13 16 17 21 100 16 19 2 2 9 4 28 2 15 5 1 1 2 2 2 7 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 3 4 3 3 4 2 3 3 3 5 11 5 9 21 41 32 15 18 7 3 2 2 1 2 2 2 1 2 2 1 2 1 3 2 4 4 16 12 18 32 36 33 2 3 3 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2; 1HNMR: 99 99 d 1H J 70 | 76 75 dt 1H J 9 68 | 74 73 m 2H | 72 70 m 5H | 70 69 dt 1H J 22 121 | 68 67 t 1H J 46 | 35 35 td 2H J 47 55 | 32 31 td 2H J 9 55 | 24 23 d 2H J 70 | 23 23 s 5H | 22 21 ddd 2H J 55 82 128 | 21 20 ddd 2H J 57 84 130 | 20 19 m 1H | 19 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.
COC(=O)CN1C(=O)CCNc2ccccc21
ir: 27 19 13 6 6 8 12 28 34 19 12 23 17 17 10 6 6 7 14 11 4 3 7 12 11 2 4 5 5 12 4 4 4 11 11 5 3 5 9 1 16 22 82 90 11 8 4 4 4 5 4 3 5 1 5 1 4 3 2 2 4 6 7 5 5 3 2 7 12 4 1 1 5 5 5 4 16 10 2 1 2 2 2 2 6 8 1 2 2 4 3 1 2 6 6 6 12 13 6 3 4 6 10 6 8 17 12 11 12 2 1 3 2 2 1 6 22 8 14 8 18 9 5 6 6 5 15 27 22 70 9 9 10 9 26 21 19 5 7 25 57 35 13 56 27 19 7 9 86 94 18 25 5 1 3 10 21 1 1 3 2 2 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 3 7 6 4 3 2 1 2 3 7 5 23 27 17 16 51 7 7 6 4 2 2 2 1 2 2 1 2 3 3 2 3 2 3 2 5 8 30 100 27 14 10 10 10 5 2 4 6 4 2 1 2 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 74 dd 1H J 33 57 | 71 70 dd 2H J 35 59 | 68 68 dd 1H J 36 61 | 51 50 t 1H J 54 | 48 48 s 2H | 38 37 s 2H | 36 35 m 2H | 29 29 t 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1cc(N)ncc1-c1ccc(Cl)cc1Cl
ir: 24 20 27 6 8 7 10 20 10 6 11 10 5 9 9 5 0 6 4 6 5 15 16 65 29 17 31 74 31 18 16 10 6 17 7 3 21 13 11 7 7 4 4 6 4 2 3 4 3 4 3 2 4 4 35 30 6 5 6 4 5 8 4 2 6 11 56 12 4 3 3 5 3 4 7 2 2 2 2 1 1 7 5 3 6 4 3 4 7 8 4 2 2 3 7 10 2 8 6 4 2 2 3 2 1 1 1 2 2 2 4 1 4 3 2 4 7 7 7 7 7 4 6 2 5 5 8 7 6 7 7 5 4 4 8 17 6 1 12 9 8 4 7 26 25 31 25 27 77 36 83 25 13 11 6 2 3 8 13 17 4 11 43 8 2 2 1 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 3 4 4 2 2 2 1 2 2 2 2 2 5 7 6 10 8 17 18 13 15 4 5 5 2 2 4 2 3 3 3 3 5 3 3 6 97 100 11 5 8 14 40 40 30 14 8 3 37 60 10 6 3 2 2 7 3 2 2 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H | 76 76 d 1H J 19 | 75 74 m 2H | 68 68 d 1H J 9 | 60 59 t 1H J 56 | 47 47 dd 2H J 8 56 | 46 46 s 2H | 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(O)Cn1ncccc1=O
ir: 0 2 3 2 1 3 3 2 6 17 6 5 6 8 6 7 10 8 7 13 35 17 38 16 3 6 3 1 1 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 6 5 7 7 6 7 3 4 4 2 0 1 3 1 0 1 2 1 0 1 2 2 3 3 3 3 2 2 2 1 1 2 7 17 13 6 4 2 2 3 4 6 5 15 8 1 1 3 2 1 3 6 5 2 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 4 5 6 10 7 4 2 4 3 1 0 1 3 2 1 5 5 5 2 3 4 11 4 9 4 21 9 8 8 6 4 2 2 1 1 3 3 1 1 2 1 0 1 3 5 4 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 1 2 3 3 0 2 3 2 1 1 3 2 2 3 5 4 1 11 11 12 10 3 3 8 80 82 48 100 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 74 dd 1H J 67 89 | 74 73 dd 1H J 14 67 | 68 67 dd 1H J 15 90 | 43 43 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(Cl)Cc1cc(F)ccc1O
ir: 1 2 1 1 0 2 2 2 2 1 2 1 0 1 1 4 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 1 1 0 0 0 1 0 1 2 6 8 7 1 1 1 1 2 0 0 1 1 1 1 2 2 3 1 5 4 6 4 2 1 3 12 28 7 1 2 1 3 2 1 3 3 23 16 5 1 0 1 1 0 0 0 0 4 4 1 2 2 1 1 0 0 0 0 0 0 0 1 1 4 1 1 2 2 1 1 2 2 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 2 5 12 1 0 1 1 1 16 11 0 3 2 1 3 4 2 0 0 1 1 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 0 0 0 0 0 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 3 6 1 1 2 3 13 37 3 1 3 8 4 2 5 100 45 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 m 2H | 68 67 dd 1H J 47 100 | 63 63 s 1H | 54 53 q 1H J 13 | 52 51 q 1H J 16 | 37 37 q 2H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(Br)C2CCC1O2
ir: 79 44 87 41 14 14 20 10 16 13 25 28 0 36 14 9 10 10 12 7 5 24 13 24 7 14 13 6 6 23 15 16 5 12 11 20 15 25 20 11 16 12 10 3 7 13 9 4 9 17 13 2 7 14 8 5 13 51 21 58 14 24 10 4 9 12 17 7 27 15 18 7 22 13 7 4 13 28 23 12 25 96 20 8 9 16 7 5 13 34 31 21 13 11 5 6 12 10 5 8 14 20 15 18 36 27 60 25 21 12 95 17 100 27 9 20 14 15 6 15 20 11 9 10 13 9 7 11 17 9 4 44 43 17 8 11 30 13 6 11 11 5 5 10 11 5 5 11 10 4 6 11 10 23 72 24 11 5 7 12 9 3 7 12 8 3 7 12 8 3 8 13 8 3 8 12 7 3 8 12 7 3 9 12 7 4 9 11 6 4 9 11 6 5 10 10 5 5 10 10 5 5 10 10 5 6 11 9 4 6 11 9 4 6 11 9 4 7 12 8 4 7 12 8 3 7 12 8 3 8 12 7 3 8 12 7 4 8 11 7 4 9 11 7 4 10 11 6 5 9 11 6 5 10 10 6 5 10 10 5 6 10 10 5 6 11 9 5 8 13 11 7 9 12 14 13 21 24 17 10 32 22 26 27 17 22 9 6 8 12 8 4 8 11 7 5 9 11 7 5 9 11 6 5 9 10 6 5 9 10 6 5 9 10 6 6 10 9 5 6 10 9 5 6 10 9 5 7 10 8 5 7 11 8 4 7 11 8 4 7 11 8 4 8 11 7 4 8 11 7 4 8 11 7 5 8 10 7 5 9 10 6 5 9 10 6 5 9 9 6 6 9 9 6 6 10 9 5 6 10 9 5 7 10 8 5 7 10 8 5 7 10 8 5 7 11 8 4 8 11; 1HNMR: 48 48 q 1H J 14 | 47 47 td 1H J 10 24 | 37 37 s 2H | 24 23 m 2H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc2c(Nc3cc(Cl)nnc3C(N)=O)cccc21
ir: 10 6 7 9 7 3 6 2 2 2 2 2 4 4 3 15 5 6 11 9 8 7 2 2 2 6 9 2 2 4 2 2 2 2 2 2 1 2 2 5 6 5 3 9 14 11 6 5 35 4 2 5 3 1 2 4 1 1 2 2 1 1 2 2 4 5 2 4 2 2 2 2 7 17 1 2 5 3 2 2 2 2 2 1 2 7 9 5 2 6 9 12 16 19 7 2 1 2 1 8 4 1 5 4 4 3 6 4 8 16 2 3 2 4 6 3 5 3 3 2 7 3 2 3 3 4 9 2 3 20 2 1 1 1 1 2 3 5 6 8 4 3 4 3 8 15 7 2 2 3 2 1 1 8 7 100 53 2 1 3 2 0 2 6 2 1 1 3 2 1 1 9 2 2 20 1 1 2 18 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 2 2 4 6 10 41 20 18 7 4 2 1 2 2 2 2 2 2 1 1 2 2 28 21 5 1 3 4 7 19 38 58 8 4 3 28 16 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H | 81 81 d 1H J 9 | 74 74 dd 1H J 15 71 | 74 73 m 2H | 73 73 dd 1H J 14 82 | 69 69 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.
COC(=O)C=Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2
ir: 7 24 7 18 7 6 35 13 5 8 12 5 2 2 3 2 0 2 2 1 0 1 1 2 1 1 1 1 1 4 2 2 1 1 1 0 0 1 3 1 1 1 1 0 1 1 1 0 1 1 1 2 17 8 2 1 1 1 1 4 3 2 4 0 2 9 2 1 2 3 3 3 2 1 1 1 1 1 1 1 4 15 5 3 1 2 1 1 2 2 1 4 25 13 2 1 1 4 12 6 6 4 2 2 1 4 1 7 6 1 3 2 1 2 28 6 6 3 4 5 4 3 2 7 6 9 3 5 4 6 10 14 80 3 7 7 1 4 2 1 6 2 1 3 2 13 100 8 6 16 7 19 2 3 2 1 1 1 2 0 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 2 1 2 2 5 7 21 24 12 8 46 12 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1; 1HNMR: 76 76 m 1H | 75 74 m 2H | 73 72 dt 1H J 8 84 | 62 62 d 1H J 161 | 46 45 m 4H | 38 37 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.
CN1CCCN(C2CCCc3cc(C=O)ccc32)CC1
ir: 12 15 11 16 4 10 3 10 11 3 4 9 6 5 6 7 10 12 5 10 7 5 9 3 1 3 3 1 2 4 6 1 5 7 8 2 10 8 5 3 8 15 6 6 3 6 3 1 7 14 16 10 24 46 61 16 7 5 5 18 42 25 5 6 9 7 14 12 18 16 13 0 6 14 14 13 8 8 10 100 81 11 28 10 8 10 13 27 17 26 17 14 27 41 14 7 6 8 11 30 32 7 11 13 50 65 15 2 4 4 3 10 15 11 2 6 12 4 7 7 7 23 48 26 12 7 11 7 10 8 11 26 9 8 18 24 11 4 3 4 6 6 13 31 7 1 2 6 85 10 4 7 3 1 2 3 2 0 2 2 2 0 1 9 3 1 2 3 1 0 1 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 1 14 4 2 3 12 3 14 8 5 7 5 5 10 8 25 32 36 99 37 19 7 2 2 4 2 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 99 99 s 1H | 77 77 dd 1H J 18 90 | 76 76 dt 1H J 8 16 | 73 73 dd 1H J 7 89 | 37 37 td 1H J 7 59 | 29 26 m 9H | 26 25 m 2H | 23 23 s 2H | 21 19 m 2H | 19 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cccc(Oc2ccc3c(c2)S(=O)(=O)NCCN3)c1
ir: 6 4 4 3 5 9 5 4 5 5 3 5 4 2 3 2 1 3 3 3 6 8 6 3 2 4 2 4 2 1 2 1 1 3 3 4 4 14 14 27 20 5 8 6 5 3 2 1 4 3 2 2 4 7 17 13 3 0 4 3 2 0 1 3 5 1 18 6 15 3 2 1 1 1 2 2 1 2 2 2 1 2 4 9 15 6 3 2 3 1 2 2 2 2 3 3 1 1 2 9 11 4 3 5 10 26 13 3 3 3 2 3 1 2 2 3 2 1 1 1 1 2 4 8 6 13 6 2 1 2 2 1 1 1 1 1 1 3 14 28 10 3 8 30 18 5 35 15 3 6 11 30 8 10 4 1 1 2 2 1 1 2 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 3 3 8 7 17 16 3 2 1 1 1 1 1 2 1 1 1 1 1 3 2 3 3 5 96 100 11 12 34 28 22 6 3 2 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; 1HNMR: 75 75 ddd 1H J 10 21 80 | 75 74 t 1H J 80 | 74 73 t 1H J 19 | 73 73 d 1H J 22 | 71 71 ddd 1H J 9 16 79 | 70 70 d 1H J 86 | 70 69 dd 1H J 20 86 | 66 65 q 1H J 51 | 63 63 t 1H J 66 | 61 61 t 1H J 49 | 36 35 q 2H J 49 | 32 32 dt 2H J 50 66 | 30 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1C[C@H](C(=O)O)CC2
ir: 1 2 2 2 4 5 3 2 2 4 6 4 7 21 13 9 6 5 3 10 10 64 94 11 25 8 4 2 1 3 3 1 1 2 3 1 2 2 2 1 1 3 2 1 6 4 2 4 9 12 6 0 2 3 2 3 4 5 5 4 3 2 2 0 2 3 2 1 3 4 2 2 3 3 3 4 12 14 56 61 16 16 6 1 4 3 2 1 4 3 8 6 7 3 2 2 4 5 7 5 5 6 3 2 3 3 3 5 4 3 3 7 8 7 4 3 4 4 4 5 6 2 1 2 3 2 1 2 3 1 2 3 6 2 1 3 3 3 7 6 9 8 13 27 9 3 2 4 2 1 1 2 2 0 1 2 3 11 6 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 4 2 2 3 2 1 5 5 5 12 8 11 6 11 20 5 2 1 2 2 2 3 86 100 10 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 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 2; 1HNMR: 72 71 m 1H | 68 68 dq 1H J 9 79 | 67 67 dd 1H J 13 82 | 39 38 s 2H | 31 30 dd 1H J 56 162 | 30 29 dddd 1H J 9 60 86 146 | 29 28 m 2H | 27 26 tt 1H J 52 81 | 22 21 dddd 1H J 49 61 88 135 | 19 18 dddd 1H J 61 77 88 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C=Cc1ccc(F)cc1
ir: 9 7 7 3 0 8 2 3 2 4 3 18 12 5 4 2 3 3 3 1 1 6 3 0 10 44 3 5 3 0 2 6 4 1 1 2 4 7 46 9 7 4 4 27 4 2 1 2 2 1 2 5 4 2 85 23 8 7 2 1 4 3 2 1 1 2 2 2 5 2 2 2 8 5 4 5 3 2 3 4 17 24 3 0 2 6 1 1 3 1 1 1 2 2 1 3 11 9 4 2 2 5 6 6 7 8 3 3 12 6 3 2 2 1 1 2 3 3 1 6 16 10 6 11 16 4 5 6 3 3 3 11 10 3 1 2 4 81 2 3 9 4 13 96 12 8 11 82 35 9 4 8 8 13 3 2 1 2 1 3 1 5 2 0 1 2 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 12 7 7 4 9 11 49 100 23 18 15 6 4 1 3 3 2 1 1 1 1 1 1 2 1 1 2 3 5 23 41 22 33 16 4 5 2 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 90 d 1H J 68 | 77 75 m 4H | 74 73 dd 1H J 14 77 | 72 71 m 4H | 71 70 dt 1H J 9 67 | 68 67 d 1H J 92 | 62 62 d 1H J 163 | 47 47 dt 1H J 63 92 | 37 37 s 2H | 34 33 ddd 1H J 7 64 148 | 31 31 ddd 1H J 7 64 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(Cl)c(O)cc1Cl
ir: 4 5 5 4 7 17 9 4 2 4 5 3 3 5 5 4 3 9 11 3 2 5 5 3 2 4 5 4 4 8 12 4 4 7 7 3 8 7 4 3 3 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 8 4 1 4 7 5 17 23 29 81 66 32 12 4 4 4 5 3 3 4 6 3 2 41 72 76 40 100 31 17 5 4 5 12 9 17 8 3 2 5 5 0 12 45 4 5 4 4 4 3 4 4 5 3 5 6 5 7 6 9 9 5 5 5 4 3 4 4 3 2 4 4 3 3 4 5 3 4 10 9 3 3 4 4 3 4 5 17 35 2 5 4 3 26 21 9 3 4 4 4 2 3 5 6 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 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 3 4 6 5 2 15 15 17 56 18 20 6 3 4 6 8 22 32 7 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 71 71 s 1H | 69 69 s 1H | 53 52 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.
COc1cc(Cl)cc2c(C)csc12
ir: 2 2 2 2 2 1 2 2 4 3 3 6 5 3 3 6 7 4 3 3 2 3 3 4 7 3 2 4 4 4 3 2 1 2 2 2 2 2 1 1 2 2 2 2 1 2 2 2 2 4 11 32 42 46 36 42 16 1 2 3 3 0 5 8 24 100 85 33 32 27 8 8 7 4 3 3 2 3 1 2 2 1 2 2 1 2 6 58 3 3 1 2 2 2 1 41 15 15 3 2 3 3 13 12 12 4 5 3 3 3 2 4 3 3 2 2 3 2 4 5 10 13 4 5 6 4 4 3 2 2 2 7 6 2 1 2 2 1 2 1 1 3 27 12 5 4 3 4 13 13 5 4 2 3 2 9 8 3 3 3 34 12 3 3 2 1 2 2 2 1 1 2 1 1 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 4 4 2 2 2 2 2 2 3 4 4 5 9 5 5 12 9 97 75 69 100 23 23 26 8 3 4 3 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 21 | 73 73 d 1H J 9 | 69 69 d 1H J 22 | 39 39 s 3H | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2N=[N+]=[N-])C1
ir: 5 8 22 2 5 4 5 4 8 24 15 6 8 9 10 6 4 5 11 4 2 2 2 2 4 7 20 19 33 7 3 6 3 3 9 6 5 10 3 2 2 1 3 2 3 1 1 2 2 1 2 2 3 2 5 12 35 16 4 3 10 5 15 7 2 3 2 3 3 5 16 39 17 4 1 3 1 2 3 2 1 2 1 1 2 2 3 3 3 2 3 3 6 2 4 10 5 8 6 4 6 5 5 3 2 3 4 7 29 12 27 52 6 13 9 3 3 4 7 7 5 8 8 7 4 4 8 20 14 11 8 7 8 9 17 7 7 2 2 2 2 5 6 12 29 52 100 11 11 29 0 12 3 1 1 3 6 3 1 2 2 1 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 3 3 3 4 4 5 4 4 5 7 30 21 13 6 6 5 24 24 13 6 2 2 1 1 2 1 1 3 2 1 1 1 2 1 2 2 2 19 55 57 14 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 dd 1H J 14 45 | 80 80 d 1H J 14 | 70 69 d 1H J 45 | 49 48 d 1H J 88 | 40 39 m 1H | 35 34 m 2H | 34 33 ddd 1H J 35 60 123 | 33 32 dd 1H J 48 119 | 25 24 dddd 1H J 37 62 88 136 | 23 22 ddt 1H J 63 88 135 | 19 17 m 2H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cccc(-n3c(C)ccc3C)n2)c(OC)cc1C=CCN(C)C
ir: 4 5 5 5 4 5 8 5 4 3 4 3 4 4 3 2 2 2 2 2 2 2 3 2 2 2 2 3 3 4 4 2 2 2 5 3 4 5 4 1 2 4 3 0 5 12 12 10 87 14 4 9 4 1 3 5 10 21 6 7 5 3 8 22 28 11 10 31 35 11 8 7 6 5 6 8 19 6 14 15 16 3 8 6 9 4 11 10 12 6 7 13 5 10 5 5 6 3 4 3 2 2 2 4 3 3 2 4 9 4 5 4 5 3 2 4 2 4 5 5 3 4 3 3 3 3 6 7 9 5 10 22 50 7 4 4 2 3 3 3 4 52 5 4 9 4 2 3 14 4 4 13 9 16 30 5 13 9 45 5 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 3 3 2 2 5 4 2 7 12 23 21 16 30 100 24 14 5 4 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 dd 1H J 61 71 | 75 75 dd 1H J 12 70 | 74 74 dd 1H J 12 61 | 74 73 s 1H | 71 71 s 1H | 68 67 dt 1H J 13 147 | 60 59 dt 1H J 44 148 | 57 57 s 2H | 39 38 d 6H J 40 | 34 33 dd 2H J 13 43 | 24 24 s 5H | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc2ccccc2n1C1CCN(C2(c3ccccc3)CCC=CCC2)CC1
ir: 2 2 3 3 3 2 1 1 1 2 2 2 0 1 1 4 4 3 2 1 0 1 1 3 1 1 1 0 0 2 2 8 9 12 8 2 4 3 2 4 7 6 17 100 15 4 5 4 1 1 2 1 1 2 3 4 3 2 1 2 2 1 1 0 1 1 1 2 7 8 6 1 2 3 2 3 4 1 1 1 1 1 1 2 3 1 3 3 2 1 1 1 3 4 5 2 2 2 4 3 1 3 2 6 2 4 6 8 9 4 8 7 9 5 6 5 5 5 14 7 4 6 7 5 2 4 2 2 3 4 6 13 6 5 3 14 15 8 20 5 3 2 4 4 3 10 14 6 3 0 3 4 0 1 3 5 1 0 1 1 0 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 2 2 4 6 2 4 3 3 2 4 4 2 10 26 23 55 50 2 9 4 2 1 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; 1HNMR: 78 77 m 1H | 76 75 m 1H | 75 74 m 2H | 73 73 m 2H | 73 72 m 3H | 56 55 m 2H | 44 44 p 1H J 32 | 30 29 ddd 2H J 43 70 115 | 28 27 ddd 2H J 44 70 116 | 23 22 dddd 2H J 26 70 108 136 | 22 22 dddd 2H J 31 42 71 113 | 21 20 m 6H | 18 17 dt 2H J 75 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C(=O)c2ccc(C)s2)C(=O)c2ccc(C)s2)c(Br)c1
ir: 1 1 2 3 2 2 2 2 1 1 3 7 2 1 0 2 3 3 4 5 3 6 5 4 1 1 1 1 1 1 2 1 2 5 3 4 10 3 2 1 1 2 5 7 67 18 4 2 3 3 30 5 1 5 2 18 8 2 4 7 13 6 9 12 13 16 16 21 4 11 11 2 5 14 4 16 1 1 1 1 2 10 14 1 1 3 2 1 2 2 14 20 4 2 2 1 1 1 1 1 3 13 6 1 1 1 1 4 2 1 2 8 10 4 10 10 4 2 1 2 3 4 1 3 10 4 29 31 4 34 20 2 1 1 1 1 1 2 2 0 0 6 11 100 8 0 2 2 13 84 5 14 55 31 7 5 5 16 5 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 1 2 3 4 2 3 4 4 4 4 9 11 27 31 88 68 28 10 8 5 3 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 88 | 74 74 d 2H J 70 | 71 70 d 1H J 22 | 70 69 dd 1H J 22 88 | 68 68 m 2H | 38 38 s 2H | 25 24 d 6H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)Cl
ir: 1 4 4 6 6 30 9 7 8 9 20 14 3 3 1 2 2 1 1 1 3 2 8 12 3 1 2 2 1 1 5 4 36 5 0 2 2 0 1 2 3 2 1 1 1 1 1 2 1 0 1 1 2 1 1 1 1 1 3 2 1 3 5 4 2 1 1 1 0 0 1 2 2 1 2 3 2 0 1 1 1 0 1 1 0 1 1 1 1 1 2 5 0 1 2 1 1 3 2 2 3 2 3 4 0 5 16 20 4 8 7 4 2 2 1 2 3 11 29 24 16 16 6 5 4 4 3 7 13 9 16 10 9 4 2 3 12 13 4 2 5 3 5 1 71 2 1 2 1 2 5 100 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 2 4 3 2 1 1 2 2 2 2 4 2 6 5 19 27 4 4 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 40 40 qt 2H J 46 70 | 37 37 dd 2H J 47 109 | 35 35 dd 2H J 47 109 | 15 14 s 8H | 14 13 d 7H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C=C/CC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1
ir: 9 5 6 14 5 3 5 13 37 8 3 5 7 6 5 4 5 5 19 11 7 19 19 28 0 15 9 7 7 11 4 10 5 3 3 8 10 5 9 26 8 11 15 15 87 35 16 10 9 7 6 7 2 4 3 1 2 3 22 2 2 6 2 1 5 66 3 5 4 4 7 2 2 4 3 12 6 12 3 2 5 12 1 4 4 35 16 6 6 3 1 1 1 2 7 32 8 3 2 1 3 3 11 4 2 1 1 1 2 1 2 9 6 4 3 3 4 6 5 11 11 6 3 3 5 11 2 4 6 4 5 3 9 5 13 16 35 100 43 6 4 4 15 37 46 4 21 57 20 14 10 13 37 8 4 7 4 3 1 22 8 1 2 5 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 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 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 3 2 3 1 2 4 4 5 15 22 30 65 39 20 10 2 4 2 2 2 2 1 2 2 2 2 2 1 3 4 3 5 15 9 40 65 19 6 9 4 6 5 6 4 8 2 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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; 1HNMR: 88 88 s 1H | 80 79 dd 1H J 15 87 | 79 78 m 2H | 78 78 dd 1H J 15 80 | 77 76 m 4H | 76 75 td 1H J 15 78 | 75 74 ddd 1H J 13 75 88 | 74 73 m 3H | 57 55 m 2H | 32 31 ddt 2H J 9 19 57 | 21 20 m 2H | 10 9 td 3H J 9 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C(F)(F)F)ccc1C=C(C)C(=O)OCC
ir: 2 4 3 2 2 2 4 5 6 5 3 1 1 2 2 2 4 6 9 2 2 11 34 4 2 6 1 1 1 2 1 1 2 2 1 2 2 2 1 1 1 1 1 1 1 2 2 3 2 1 1 1 1 2 2 18 5 3 1 1 2 2 5 2 2 2 2 2 9 5 3 2 4 3 2 2 2 2 1 1 2 2 1 3 13 3 2 1 3 3 4 28 4 2 3 2 4 7 36 10 0 6 3 2 1 1 2 2 1 2 4 17 11 30 8 6 7 19 7 16 9 3 2 2 4 8 9 7 4 4 2 2 3 2 2 6 1 2 2 3 4 3 2 1 2 16 40 5 3 9 3 2 1 2 3 1 1 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 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 2 3 3 2 4 4 5 18 4 15 100 14 6 4 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 q 1H J 14 | 77 76 m 1H | 74 74 dp 1H J 9 17 | 74 73 d 1H J 116 | 43 42 q 2H J 71 | 27 27 td 2H J 8 61 | 21 21 d 3H J 14 | 17 16 qt 2H J 60 74 | 12 12 t 3H J 71 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cnc2c(c1)ncn2-c1cccc(CN2CCOCC2)c1
ir: 6 6 3 7 2 3 2 5 11 9 15 3 8 6 11 4 9 9 15 23 57 42 5 6 10 7 9 11 5 7 10 11 9 6 60 38 12 13 36 25 60 27 18 9 15 12 14 31 14 24 13 21 3 2 5 16 8 1 7 6 3 0 6 21 4 7 10 55 50 16 14 30 21 31 6 5 2 4 13 33 80 17 10 10 9 11 4 11 13 24 40 24 11 19 33 38 18 18 24 65 26 13 6 5 3 4 4 2 2 2 2 2 9 13 7 22 8 10 9 5 3 8 8 54 45 28 8 4 7 5 3 2 2 9 7 4 3 4 11 16 18 50 8 0 2 2 2 3 17 24 8 8 20 16 26 18 13 9 3 2 6 4 16 25 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 5 4 4 3 4 3 5 4 6 34 46 100 34 80 17 9 8 3 0 3 5 2 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 87 d 1H J 18 | 86 85 s 1H | 85 85 d 1H J 16 | 75 75 td 1H J 11 21 | 74 73 dd 1H J 66 75 | 73 73 ddd 1H J 13 22 66 | 72 72 ddt 1H J 11 23 75 | 37 37 m 4H | 36 36 t 2H J 9 | 25 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
ir: 1 1 2 2 17 1 1 1 2 2 4 6 3 4 5 3 14 13 12 2 1 1 1 2 4 1 1 1 1 3 1 1 1 4 2 2 1 1 2 9 5 9 8 7 3 13 21 30 13 2 3 3 3 8 25 28 21 6 7 12 18 19 11 5 6 3 4 2 2 21 2 1 1 5 3 2 1 1 2 4 2 2 2 9 16 13 5 2 0 7 2 1 1 1 1 1 2 7 7 3 4 7 3 2 3 4 2 2 0 2 4 4 2 1 2 2 6 3 1 3 3 1 2 2 8 3 4 4 8 2 3 18 3 6 5 1 6 11 7 5 1 4 7 1 1 3 7 6 19 32 11 2 7 3 1 1 0 1 1 1 1 1 1 6 2 0 0 1 1 1 6 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 1 0 1 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 5 3 14 34 15 100 44 36 6 4 3 3 2 1 2 1 1 1 2 2 3 16 8 3 1 1 3 3 16 5 1 2 1 1 1 1 1 0 0 1 1 1 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: 92 91 dd 1H J 15 83 | 81 81 d 1H J 81 | 79 79 ddd 1H J 14 70 82 | 79 78 dd 1H J 15 80 | 77 77 m 2H | 76 75 d 1H J 81 | 72 72 ddd 1H J 14 69 82 | 72 71 m 3H | 60 59 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1Cl)CCCC(c1ccccc1)=C2C#CCCCCO
ir: 1 3 3 3 1 1 2 3 2 2 2 2 1 2 2 2 3 2 2 2 2 2 2 2 1 2 2 2 2 3 5 3 18 3 3 3 3 2 4 9 10 23 12 2 3 2 2 1 2 2 2 1 3 10 23 17 12 7 7 3 3 6 2 2 3 8 4 5 14 12 3 2 2 3 3 2 4 4 5 3 2 3 2 4 5 10 15 33 11 13 27 14 11 5 4 3 7 5 5 3 2 1 2 1 2 2 4 7 7 7 4 3 7 9 23 2 2 3 2 3 3 4 3 2 2 1 1 3 3 2 1 2 5 3 1 34 0 3 3 1 1 7 38 8 2 2 3 2 6 1 2 11 3 10 3 1 2 1 1 3 2 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 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 2 1 2 2 2 2 2 5 6 4 7 5 5 5 6 3 7 6 15 12 15 11 56 22 17 9 2 6 6 50 100 23 7 6 5 4 3 3 6 3 2 4 4 2 4 2 3 3 3 4 2 4 4 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; 1HNMR: 77 76 m 2H | 74 73 m 4H | 71 70 d 1H J 81 | 39 39 s 2H | 36 36 qd 2H J 8 47 | 34 33 t 2H J 89 | 32 31 t 2H J 78 | 25 24 t 1H J 58 | 24 24 m 2H | 20 19 tt 2H J 78 90 | 16 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=O)c2c(NC)n[nH]c2n(Cc2ccc(Cl)cc2)c1=O
ir: 1 1 5 2 1 1 2 3 2 1 1 2 2 2 2 1 1 8 9 10 4 4 3 2 2 2 2 1 2 2 2 1 2 1 2 3 1 1 1 1 1 1 1 1 2 1 1 1 2 4 3 2 2 3 7 9 6 2 5 8 4 2 2 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 6 1 1 1 2 2 7 3 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 2 2 2 6 4 5 4 3 2 1 1 1 1 1 2 1 1 1 2 3 6 7 3 1 1 2 1 1 2 3 1 2 6 9 5 2 1 1 1 16 1 2 1 1 100 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 4 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 7 10 5 7 5 4 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; 1HNMR: 74 73 m 2H | 73 73 dt 2H J 8 83 | 68 68 q 1H J 49 | 53 53 d 2H J 9 | 39 38 t 2H J 70 | 32 31 d 3H J 49 | 18 16 dtd 2H J 70 78 148 | 10 9 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CC[C@H](Oc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)C1
ir: 4 7 5 10 26 3 2 3 6 8 6 6 5 7 4 4 3 15 18 15 9 10 31 20 11 4 4 7 4 6 8 3 4 72 17 8 7 2 2 1 1 1 1 1 2 4 3 4 7 5 2 2 2 3 7 16 20 6 5 4 3 7 11 2 5 15 6 11 17 12 11 5 7 3 3 13 6 4 4 5 14 5 7 4 2 2 3 3 7 4 4 5 4 3 6 3 3 2 1 2 3 5 5 11 31 13 22 12 13 6 3 2 7 17 18 13 6 16 16 10 15 13 8 47 28 9 18 23 14 10 6 9 3 42 11 4 2 2 2 1 1 1 2 3 7 7 12 74 13 70 100 36 10 6 3 4 15 45 9 8 2 1 1 2 2 0 1 2 1 0 1 2 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 4 2 2 2 8 7 4 5 4 4 4 3 8 31 28 17 18 47 24 10 5 2 3 2 1 1 2 2 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 85 85 t 1H J 16 | 81 80 t 1H J 16 | 76 76 dd 1H J 21 80 | 74 74 dt 1H J 9 19 | 74 73 d 1H J 80 | 73 72 t 1H J 16 | 52 51 dddd 1H J 16 25 35 43 | 38 38 ddd 1H J 8 18 121 | 36 35 m 2H | 35 34 m 1H | 35 35 s 3H | 29 28 m 2H | 26 26 m 2H | 24 23 m 1H | 22 21 m 1H | 21 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)cc1N1CC(C)(C)N(C(=O)OC(C)(C)C)CC1=O
ir: 8 10 11 5 7 3 3 4 7 3 6 8 12 5 6 14 13 8 3 4 6 2 2 10 16 9 6 7 4 1 1 5 4 1 1 6 5 1 2 6 4 2 2 5 3 0 2 6 4 1 5 9 14 9 7 6 4 1 3 7 3 1 4 9 3 1 11 15 13 0 5 5 2 0 3 4 1 0 3 4 2 2 5 4 1 1 4 4 2 2 5 5 1 2 5 4 2 8 14 5 1 2 6 5 1 2 5 3 0 3 6 8 4 7 7 4 1 6 10 13 4 14 5 4 2 5 21 50 5 11 14 6 6 6 5 7 9 12 9 3 3 4 5 6 7 6 4 1 2 18 100 54 13 11 4 1 2 5 3 1 3 10 4 0 2 4 3 0 2 5 2 0 2 5 2 0 3 4 2 1 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 5 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 1 4 3 1 2 4 4 1 4 6 4 2 2 6 5 1 3 5 4 2 5 9 35 13 17 40 29 5 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 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 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 72 71 ddq 1H J 10 45 91 | 70 69 dd 1H J 21 121 | 69 68 ddd 1H J 21 92 102 | 41 41 s 2H | 41 41 s 2H | 23 22 d 3H J 9 | 15 14 s 9H | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CONC(=N)c1cccnc1)CN1CCCCC1
ir: 11 2 3 8 6 6 6 14 8 9 7 4 3 3 3 2 0 11 4 5 6 8 9 3 4 4 3 4 2 3 3 5 6 21 45 11 4 5 5 15 6 5 5 4 2 2 3 4 6 15 10 2 6 6 5 14 10 6 4 2 3 2 11 6 5 2 2 6 4 4 9 20 22 7 2 1 2 3 3 13 6 7 100 8 3 3 2 6 1 54 6 5 5 2 1 2 4 22 2 2 2 7 4 2 2 1 1 2 2 5 6 3 30 8 1 4 4 2 0 4 11 11 4 4 5 12 21 4 10 2 4 3 2 2 1 2 3 2 10 5 3 2 4 7 30 16 6 5 4 1 2 3 4 11 13 1 1 1 2 2 11 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 2 3 3 2 1 4 2 2 3 3 8 7 7 5 11 3 2 1 1 1 3 2 1 1 1 1 2 3 4 12 5 1 2 2 1 0 4 9 1 24 9 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 t 1H J 18 | 86 86 ddd 1H J 16 27 49 | 82 82 s 1H | 79 79 m 1H | 73 72 dd 1H J 49 76 | 62 61 s 1H | 36 35 s 2H | 26 26 m 5H | 25 25 s 2H | 16 16 m 5H | 15 14 m 2H | 10 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cccc(N3CCN(Cc4ccccc4)CC3)c2o1
ir: 5 5 7 3 7 12 7 6 5 3 6 3 2 3 2 1 1 1 3 1 11 38 6 7 3 7 2 2 2 6 10 4 5 3 2 3 3 8 22 15 29 4 6 3 3 1 4 3 11 89 21 6 4 6 5 2 6 4 3 2 2 1 3 8 2 3 3 9 14 5 2 3 4 2 5 7 2 30 14 25 12 3 5 5 5 9 45 8 8 15 2 3 3 3 2 2 3 13 5 5 11 7 7 3 3 2 4 5 100 7 0 4 5 7 4 2 3 10 2 3 4 3 1 2 3 2 3 8 5 7 3 3 4 5 10 12 4 3 11 43 4 2 13 23 24 7 4 2 2 3 2 6 3 51 4 3 1 1 2 10 4 2 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 4 4 3 2 2 4 2 4 6 13 24 18 99 35 39 13 5 9 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 23 | 75 74 ddd 1H J 12 22 93 | 73 73 m 5H | 73 72 m 1H | 70 70 dd 1H J 13 88 | 45 44 q 2H J 64 | 37 37 d 2H J 10 | 34 33 m 4H | 32 31 m 4H | 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)c1cnn(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1
ir: 4 5 2 2 8 3 3 2 1 1 2 2 2 2 2 1 1 1 3 1 1 4 2 5 8 18 4 2 2 5 5 6 1 2 2 1 1 2 2 1 2 35 3 3 2 3 1 0 1 3 3 2 3 2 2 12 13 5 7 3 2 6 2 3 1 6 4 1 6 9 3 1 1 2 4 1 1 1 1 1 6 2 1 17 9 2 1 3 4 6 2 1 1 1 1 1 1 4 4 11 1 5 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 9 6 6 2 1 2 2 12 7 2 1 2 2 2 3 4 5 4 7 2 1 1 1 1 2 4 9 100 8 3 4 2 1 2 4 15 3 1 1 1 1 1 6 2 5 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 4 6 6 31 16 5 6 10 3 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 83 83 s 1H | 82 82 s 1H | 77 77 m 2H | 74 74 dp 2H J 9 83 | 73 72 m 2H | 69 69 m 2H | 69 68 tt 1H J 13 77 | 39 39 s 2H | 37 37 d 2H J 9 | 31 31 m 4H | 29 29 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H]1CCCNC1
ir: 3 2 6 5 5 6 15 11 6 23 24 6 6 3 6 2 4 4 2 5 2 5 6 3 3 3 6 7 5 5 12 14 11 7 7 13 14 14 15 21 7 11 7 6 3 5 4 1 9 9 8 7 17 65 48 36 14 15 14 5 6 4 6 3 8 3 5 6 10 10 6 4 4 4 8 23 13 4 2 3 1 1 1 1 1 1 2 1 1 1 2 5 5 2 5 5 3 2 1 4 3 4 6 3 5 3 13 11 19 15 38 75 75 29 41 30 50 31 10 11 22 9 12 6 14 16 19 17 16 17 8 23 19 11 11 4 3 2 1 3 2 1 1 3 17 10 45 24 6 2 2 1 2 1 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 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 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 1 1 1 2 3 2 2 4 4 7 5 4 5 11 8 20 16 15 32 7 6 4 2 2 1 2 1 1 2 2 2 0 1 2 3 4 4 8 8 7 55 100 55 20 5 3 3 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 42 41 p 2H J 64 | 30 29 ddd 1H J 31 49 126 | 29 28 m 1H | 28 27 m 2H | 25 24 dddd 1H J 20 40 48 78 | 23 23 tt 1H J 40 49 | 19 18 m 1H | 18 17 m 1H | 17 16 dtq 1H J 10 23 56 | 17 16 m 1H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N1CCc2ccc(Cl)c(NCc3ccc(Oc4ccccc4)cc3F)c2CC1)C(F)(F)F
ir: 5 8 3 3 6 6 5 10 11 12 6 5 6 5 8 7 11 15 11 11 5 12 4 10 12 6 5 3 5 6 15 12 13 16 25 12 17 14 9 5 9 18 22 7 6 2 4 10 4 3 2 1 14 12 9 26 7 7 4 1 5 5 2 1 5 4 6 13 44 5 8 2 1 1 2 1 2 3 12 2 1 2 1 4 4 5 12 9 14 9 13 12 14 11 9 8 5 6 21 19 5 6 8 10 3 2 1 1 2 2 3 4 4 8 10 5 11 5 11 8 7 8 5 10 3 3 5 3 4 2 1 6 6 11 18 55 4 33 40 11 10 4 19 44 10 11 4 13 13 53 13 27 6 15 2 1 2 1 1 10 6 27 1 1 1 1 1 0 0 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 0 0 0 0 1 1 0 1 1 1 1 2 5 4 3 2 2 2 2 7 10 18 15 32 100 36 28 11 2 1 3 1 1 2 3 1 1 3 2 1 0 2 2 1 1 2 4 9 39 21 32 12 4 4 6 2 1 2 1 1 0 1 1 0 0 1 1 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 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; 1HNMR: 74 73 m 2H | 73 72 ddt 1H J 9 48 97 | 72 71 m 2H | 70 70 m 2H | 68 67 dd 1H J 21 96 | 67 66 dt 1H J 10 87 | 66 66 dd 1H J 22 121 | 59 59 t 1H J 70 | 47 46 ddd 2H J 9 35 70 | 38 38 td 4H J 31 57 | 31 30 t 2H J 57 | 30 29 td 2H J 9 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(CCN)cc1OCCC
ir: 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 3 4 7 8 0 54 3 9 9 10 28 17 9 8 6 7 6 5 6 7 15 16 49 12 5 5 5 5 5 5 4 4 27 4 4 4 5 7 5 5 7 5 5 4 7 6 7 6 4 4 5 5 4 4 4 4 4 4 5 5 4 4 5 6 6 5 5 5 8 6 5 5 7 6 10 8 6 9 6 7 7 8 7 9 28 60 24 8 7 5 5 4 4 4 5 4 4 4 4 5 5 7 6 5 12 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 5 5 5 7 5 5 4 4 4 4 4 5 7 9 7 11 22 16 11 4 5 4 4 4 5 5 5 5 6 11 23 14 19 10 9 15 6 13 100 52 9 9 11 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 68 67 d 1H J 91 | 67 66 m 2H | 41 40 td 4H J 22 54 | 30 29 dddd 2H J 11 50 67 104 | 29 29 td 2H J 9 66 | 28 28 tt 2H J 9 49 | 19 18 qt 4H J 53 77 | 11 11 t 6H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1cc(OC)c(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C)cc1C
ir: 5 8 2 13 8 13 4 4 3 4 4 7 4 3 4 3 5 9 7 3 5 6 4 3 6 5 5 10 3 3 5 2 2 4 3 3 3 4 4 2 6 6 4 3 3 3 3 2 2 3 3 1 3 13 25 23 11 6 6 2 4 3 5 5 5 6 13 19 15 14 9 10 7 5 4 3 3 4 4 3 3 3 2 2 5 3 5 3 5 4 4 1 4 4 23 6 4 3 19 38 17 18 10 2 3 2 1 2 3 4 3 5 95 11 5 4 6 4 4 6 5 6 4 8 7 7 6 7 8 5 3 4 3 2 1 2 2 2 2 6 7 3 14 26 29 4 10 22 9 8 5 12 36 14 6 3 2 1 2 2 2 3 3 4 2 1 2 2 1 1 1 2 1 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 1 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 2 1 2 2 2 2 3 2 5 6 3 3 4 2 2 7 8 15 7 25 100 28 18 5 0 2 4 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 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 77 m 2H | 77 76 dq 2H J 14 109 | 76 75 dd 1H J 22 79 | 74 74 d 1H J 22 | 73 72 dt 1H J 9 78 | 71 71 s 1H | 64 64 s 1H | 47 47 s 2H | 43 42 d 2H J 9 | 39 38 s 3H | 38 37 s 3H | 23 23 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C(=O)NCc2cccs2)CC1
ir: 0 1 2 1 0 1 2 3 2 1 28 3 1 4 5 1 0 3 9 3 0 5 6 16 41 58 6 5 2 4 6 5 2 4 5 19 55 22 74 27 38 32 10 7 6 1 21 14 5 4 2 6 3 1 4 9 2 1 1 2 1 2 3 7 7 9 4 6 4 1 2 2 2 1 1 2 3 11 3 2 1 1 2 2 1 1 3 10 19 31 11 4 8 9 7 5 4 2 2 2 1 1 1 1 1 1 1 2 2 3 14 20 2 14 30 9 5 9 15 20 9 5 3 4 7 4 4 2 1 5 26 67 19 5 1 3 2 1 2 4 3 5 7 32 100 41 29 24 18 22 14 10 13 12 3 5 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 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 3 2 2 2 1 2 2 3 3 4 14 6 7 12 3 8 5 29 37 81 20 16 7 2 1 3 2 2 2 2 3 2 2 4 7 9 11 12 11 12 29 63 54 10 6 4 3 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 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 dd 1H J 17 52 | 73 72 t 1H J 44 | 71 70 ddt 1H J 9 19 65 | 70 70 dd 1H J 52 64 | 46 46 dd 2H J 9 44 | 14 13 m 2H | 12 11 m 2H | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.