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C=C(C)c1ccc(Cl)nc1
ir: 6 3 3 13 8 3 1 5 5 2 1 3 5 3 2 4 7 5 17 6 5 3 2 3 13 2 2 12 5 2 2 6 7 0 88 32 11 3 3 7 7 3 4 6 13 4 4 5 8 10 20 13 47 32 53 8 3 1 3 5 5 9 7 8 5 2 7 7 9 22 13 10 6 20 72 22 4 11 6 5 3 1 10 5 2 2 6 9 28 6 4 4 2 2 4 4 2 2 5 3 1 2 5 4 6 11 7 3 1 3 7 8 5 6 7 3 3 4 8 5 0 9 21 10 11 11 21 10 2 8 21 77 100 20 2 5 5 3 3 4 3 3 3 3 3 4 7 17 32 14 5 6 5 6 14 10 8 7 6 4 7 89 14 3 3 4 3 2 3 4 3 1 3 4 3 2 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 3 3 4 3 2 3 4 3 2 4 6 10 7 8 17 10 13 24 19 57 29 27 12 14 17 13 7 4 3 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 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 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1; 1HNMR: 85 84 d 1H J 20 | 75 75 dd 1H J 19 85 | 71 71 d 1H J 84 | 52 52 dq 1H J 9 17 | 51 51 dq 1H J 15 28 | 21 21 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1Br
ir: 2 2 2 1 1 3 2 3 0 2 1 1 1 1 1 1 0 1 5 1 0 1 4 1 1 2 1 1 1 1 2 3 5 11 3 6 7 3 8 23 38 100 56 7 24 15 2 2 4 6 2 1 2 2 4 10 4 4 2 1 2 1 1 0 1 3 11 19 9 2 1 0 1 2 6 3 2 3 2 2 8 1 1 2 1 9 2 1 3 6 5 5 4 6 2 1 2 2 0 2 2 2 1 9 3 26 1 1 2 1 0 1 1 1 2 4 1 1 0 1 1 2 0 1 4 3 7 7 3 2 2 4 3 1 35 4 17 13 4 2 3 2 8 12 18 32 7 5 11 7 6 14 5 7 13 4 2 2 1 2 1 2 7 13 2 1 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 3 5 24 79 43 20 7 8 2 4 1 0 1 1 0 0 1 1 1 0 1 1 1 2 1 3 4 12 26 5 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 91 s 1H | 79 79 dd 1H J 17 77 | 79 78 m 2H | 77 77 dd 1H J 15 80 | 75 74 m 2H | 74 73 m 1H | 73 72 td 1H J 17 74 | 72 72 m 2H | 71 70 td 1H J 16 74 | 68 67 ddt 1H J 9 18 49 | 64 63 ddt 1H J 9 18 71 | 61 60 dd 1H J 48 71 | 52 51 d 2H J 9 | 51 50 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nn(CC3CO3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl
ir: 4 6 11 18 22 32 12 6 0 28 53 15 12 11 6 2 3 4 2 1 6 7 15 2 3 1 3 3 2 3 3 6 3 3 8 19 14 10 9 5 3 5 3 3 3 3 2 1 1 7 2 4 9 5 13 22 11 6 4 11 1 5 12 3 2 8 5 2 4 2 5 13 12 9 4 7 5 2 3 1 1 1 3 0 3 2 11 3 6 4 6 14 14 6 9 5 2 4 4 2 3 3 1 4 2 7 4 2 2 1 1 6 2 14 18 13 19 38 26 35 41 19 22 10 14 9 10 11 26 27 5 12 7 4 3 5 36 33 26 5 2 5 3 1 1 3 11 28 22 12 45 70 24 11 3 1 2 4 1 2 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 1 0 1 1 1 1 2 1 2 4 8 5 5 4 8 8 6 4 7 5 5 31 41 95 34 23 100 46 31 18 3 4 6 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 1H | 74 74 dd 1H J 20 88 | 74 73 d 1H J 88 | 47 46 s 2H | 44 44 dd 1H J 29 134 | 42 41 dd 1H J 27 134 | 38 37 t 2H J 53 | 34 33 p 1H J 28 | 29 29 dd 1H J 27 70 | 28 27 dd 2H J 50 57 | 27 26 dd 1H J 27 70 | 24 23 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.
COc1ccc(NS(C)(=O)=O)cc1NC(=O)Nc1cnccn1
ir: 2 4 2 13 10 8 6 5 4 7 7 4 26 3 14 7 10 7 5 2 3 5 5 1 9 8 4 5 3 4 5 2 3 7 7 4 10 4 6 5 2 4 10 8 63 18 11 6 5 3 1 1 2 3 3 14 3 7 7 2 3 2 2 13 5 2 3 5 8 15 23 5 15 5 2 1 2 2 1 0 2 3 5 5 2 6 5 28 82 14 4 1 7 2 1 1 2 2 3 3 6 17 28 21 17 11 12 3 2 2 2 4 5 1 1 6 3 4 4 3 16 11 6 3 8 1 1 2 2 1 3 4 3 11 10 8 5 5 11 10 2 1 1 2 2 1 1 10 6 20 17 100 5 10 10 8 21 2 3 5 2 1 1 1 7 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 4 2 1 1 1 0 1 1 1 0 1 2 4 6 4 6 7 19 16 5 2 1 1 2 1 1 1 1 1 0 1 1 1 1 2 3 4 2 3 5 8 31 34 32 36 24 6 3 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 95 s 1H | 87 86 d 1H J 13 | 84 83 dd 1H J 13 33 | 82 82 d 1H J 33 | 81 81 s 1H | 81 80 s 1H | 75 75 d 1H J 21 | 72 72 dd 1H J 22 82 | 69 69 d 1H J 83 | 39 39 s 3H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CSC1c2ccccc2C(=O)N1Cc1cccs1)Nc1ncccn1
ir: 4 7 6 3 2 2 1 2 2 4 5 13 26 6 9 9 14 3 1 5 2 4 5 5 14 7 25 15 9 16 16 8 12 14 10 25 23 18 25 39 37 19 9 8 16 13 5 8 9 12 23 19 9 21 9 26 10 18 13 14 7 6 3 2 3 6 2 1 5 7 2 2 2 3 4 4 5 14 6 2 2 2 5 3 2 3 7 7 8 13 17 3 4 15 3 4 7 4 4 7 8 3 1 1 2 1 1 1 3 2 6 7 3 4 8 5 7 9 3 4 25 17 10 9 1 3 2 2 3 2 6 20 10 19 9 3 4 17 66 4 17 34 41 14 12 13 58 67 50 61 10 19 49 100 36 68 5 11 4 5 2 3 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 1 2 1 1 1 2 2 2 3 4 5 1 3 4 3 3 5 8 15 7 16 27 80 81 22 12 7 4 3 2 1 2 2 1 1 2 2 4 3 4 4 7 7 13 23 28 11 25 26 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 2H J 44 | 78 78 dd 1H J 18 82 | 77 76 ddd 1H J 7 17 74 | 75 74 m 3H | 71 71 t 1H J 43 | 71 70 ddt 1H J 9 18 65 | 70 69 dd 1H J 52 65 | 57 57 d 1H J 7 | 51 51 dd 1H J 9 132 | 50 50 dd 1H J 9 132 | 39 38 d 1H J 163 | 37 37 d 1H J 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(C2CCC(N)CC2)C1
ir: 2 2 2 1 1 2 2 7 6 3 2 3 2 1 1 2 2 1 2 3 2 2 1 3 2 1 0 1 2 13 5 2 2 0 0 1 1 1 1 2 1 1 6 2 3 6 7 9 2 1 2 3 7 9 7 8 16 4 35 72 60 100 66 8 9 10 47 43 41 7 5 6 23 12 16 33 30 3 2 5 27 29 29 9 6 5 11 7 11 3 7 4 4 6 4 12 2 3 6 2 2 1 4 6 6 2 3 2 1 4 3 5 10 11 7 11 1 4 17 9 4 5 14 24 29 32 28 19 3 22 23 9 37 54 62 69 15 3 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 2 2 1 0 1 1 1 1 1 1 1 2 2 3 8 3 5 3 5 3 6 4 4 8 28 6 12 3 2 1 0 1 2 1 1 1 2 1 2 10 19 38 26 40 38 45 30 4 9 16 100 94 21 3 3 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 39 38 dddd 1H J 15 28 37 51 | 32 32 d 3H J 15 | 31 30 m 1H | 31 30 q 1H J 26 | 30 30 m 1H | 28 27 m 2H | 27 26 p 1H J 56 | 21 20 dddd 1H J 38 53 71 126 | 18 17 m 5H | 16 15 ddt 2H J 58 90 125 | 15 14 m 1H | 14 14 dd 3H J 53 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=Nc2c(cc(Cl)c[n+]2CCCCS(=O)(=O)[O-])C1(C)C
ir: 8 19 33 18 3 41 37 20 2 23 36 20 17 25 31 18 20 27 29 10 4 21 28 11 8 22 25 9 8 25 27 19 17 26 23 11 12 26 21 5 20 29 23 11 16 48 30 6 25 46 28 4 26 42 22 3 23 40 16 7 33 48 26 12 25 38 14 11 26 30 14 5 21 28 10 4 21 25 10 17 23 25 11 20 79 39 65 12 27 24 7 21 33 23 14 14 53 30 8 17 29 22 4 14 28 19 5 27 46 27 8 23 54 21 3 18 31 20 17 38 43 37 13 25 32 22 15 22 43 31 66 29 85 12 6 20 24 10 6 22 25 14 20 100 47 4 9 24 21 4 9 24 21 19 11 26 18 4 44 34 19 1 12 28 17 2 13 29 15 0 15 30 14 0 15 29 14 1 17 27 12 3 17 26 12 4 18 25 10 4 19 24 10 5 20 23 9 7 21 22 7 8 22 21 7 9 23 20 5 10 24 19 5 11 25 18 4 12 26 17 3 13 27 15 2 14 27 15 1 15 27 14 2 16 26 12 3 16 26 12 4 18 25 11 5 18 23 10 6 19 23 9 6 20 22 9 9 21 21 8 9 22 19 7 11 22 20 7 12 25 21 6 13 25 21 13 21 37 19 13 16 37 29 17 35 34 33 25 68 46 24 13 18 34 28 4 21 27 17 4 19 24 11 7 19 22 12 8 19 22 10 8 20 20 10 9 21 19 9 10 21 19 8 11 21 19 7 11 23 17 6 12 24 16 5 13 24 15 5 14 25 15 4 15 25 14 5 15 24 13 6 16 23 13 6 17 22 12 7 18 22 11 8 18 21 10 8 19 20 10 9 20 19 9 10 20 19 8 11 21 18 8 12 22 17 7 12 22 16 7 13 23 16 6 14 23 15 5 14 24; 1HNMR: 54 54 d 1H J 14 | 40 39 t 2H J 59 | 35 35 d 1H J 14 | 27 26 t 2H J 107 | 21 21 s 3H | 20 20 ttd 2H J 7 59 81 | 19 18 m 2H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CC=O)C(F)(F)F
ir: 5 3 2 8 0 2 2 5 3 1 1 8 9 5 2 1 1 1 1 2 3 5 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 2 3 2 1 2 14 20 2 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 2 1 7 11 2 2 19 13 14 12 6 2 0 6 16 2 1 1 1 1 1 1 1 1 1 5 13 5 1 2 2 3 6 10 5 42 25 9 100 97 14 8 5 4 15 20 58 72 33 13 36 26 20 13 22 17 13 9 6 6 4 3 2 2 1 2 1 2 4 2 1 1 2 2 1 2 1 1 1 3 3 2 3 7 34 77 24 5 2 2 2 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 2 2 1 2 8 10 5 3 3 6 4 5 9 4 2 14 13 6 7 24 15 5 4 3 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 97 96 m 1H | 27 25 m 2H | 24 23 m 1H | 11 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1OC(=O)[C@]2(c3cc(C(C)(C)C)[nH]n3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(Br)cn3)[C@H]12
ir: 2 5 3 6 12 2 5 1 2 2 2 2 10 3 4 5 5 2 1 1 9 1 1 1 1 2 2 2 1 2 1 1 3 4 21 12 3 2 1 2 1 3 1 1 1 2 2 4 28 100 19 15 24 22 12 7 2 3 2 2 3 5 7 5 1 1 3 4 9 23 4 4 2 3 9 4 9 22 12 32 5 3 2 2 1 5 3 1 1 18 1 3 2 4 12 5 21 10 5 7 4 41 25 5 6 14 11 9 12 14 3 5 7 31 8 10 8 11 13 11 11 12 9 2 7 3 6 8 14 6 7 7 23 27 23 13 36 17 3 32 2 4 3 6 15 16 5 6 38 4 3 4 2 1 2 3 9 8 4 80 9 4 2 3 14 3 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 3 3 2 2 1 3 2 2 4 6 8 6 10 9 28 20 13 40 32 12 40 10 3 2 1 2 1 1 1 1 1 0 1 1 2 1 1 2 1 3 2 1 5 17 35 31 8 3 2 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 0 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0; 1HNMR: 85 84 d 1H J 20 | 78 77 dd 1H J 19 83 | 75 74 dd 1H J 6 83 | 73 73 s 1H | 65 65 m 1H | 62 62 s 1H | 62 61 ddt 1H J 17 117 151 | 48 47 p 1H J 51 | 32 31 dddd 1H J 17 38 54 74 | 29 28 m 2H | 26 25 dt 1H J 119 185 | 23 22 ddddd 1H J 18 36 50 85 135 | 14 14 s 8H | 13 13 d 3H J 51 | 10 9 dt 3H J 37 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C(=O)O)[nH]n1
ir: 2 1 2 1 2 1 1 1 2 2 2 4 3 1 1 3 5 6 11 10 14 15 78 100 18 15 5 1 1 2 3 1 1 2 2 0 0 2 1 0 1 1 1 1 1 3 3 0 2 6 8 40 23 3 2 4 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 5 4 7 23 43 4 4 2 1 2 2 5 7 3 5 4 2 8 8 6 3 3 1 1 0 1 1 1 1 1 2 4 2 1 1 1 0 2 5 11 26 5 2 1 2 1 1 1 1 2 4 2 2 9 5 3 2 1 2 2 1 2 1 1 7 9 3 1 1 1 2 23 34 3 3 0 3 4 1 0 0 1 1 0 0 1 4 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 1 4 6 4 3 2 2 1 2 10 19 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 13 10 3 2 2 2 1 1 1 1 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 0 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; 1HNMR: 66 66 t 1H J 9 | 30 30 td 2H J 8 62 | 19 18 qt 2H J 62 80 | 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.
CCOC(=O)C(C(=O)c1cnc(SC)nc1OC)=C(SC)SC
ir: 2 3 7 6 4 5 9 9 6 3 4 3 2 3 4 4 3 3 3 3 2 3 4 3 7 10 6 2 3 8 4 3 3 4 8 3 5 5 16 46 8 89 45 11 5 5 4 4 7 4 3 2 3 5 5 3 10 5 6 6 4 4 3 4 4 5 3 2 3 4 2 2 6 6 4 2 3 5 2 2 3 3 2 2 3 3 2 2 5 3 3 3 4 4 3 2 4 3 2 2 3 3 2 3 3 3 2 3 5 4 5 12 33 19 15 6 8 8 4 5 5 3 2 3 5 3 6 4 5 28 4 4 5 5 7 4 4 3 3 29 7 87 5 4 5 2 2 7 11 10 4 4 3 2 3 97 7 0 100 3 3 4 3 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 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 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 4 3 3 3 4 3 2 3 4 3 2 3 4 4 4 4 4 4 3 14 9 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 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 90 90 s 1H | 43 42 q 2H J 71 | 40 40 s 3H | 25 25 s 3H | 25 24 s 6H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc(OCc3ccccc3)cc2)c2c(N)ncnc21
ir: 15 6 4 7 3 5 10 2 3 7 3 3 1 4 5 4 6 4 2 5 2 10 6 4 1 5 6 4 11 11 9 5 11 10 8 9 10 12 22 10 46 19 6 10 13 15 4 4 3 3 6 8 4 7 9 34 42 18 5 6 4 5 2 9 6 24 11 21 8 35 7 8 4 3 3 4 9 11 6 3 2 1 1 1 3 3 25 23 11 8 4 4 1 3 5 8 8 3 7 4 2 2 2 2 24 6 2 2 9 4 1 1 1 1 2 2 3 5 9 6 16 6 6 3 4 5 6 9 3 2 4 3 3 14 7 8 5 8 4 3 5 1 4 41 5 1 4 4 19 10 17 6 17 87 14 10 1 3 1 1 1 22 7 3 1 4 1 0 2 4 1 0 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 1 0 1 0 0 1 1 0 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 6 3 4 5 3 4 6 5 23 22 33 82 100 38 15 49 8 8 4 5 3 3 3 1 2 1 2 1 2 2 22 41 2 1 1 0 0 1 1 0 1 4 21 65 7 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H | 74 74 m 3H | 74 73 m 2H | 73 73 m 1H | 71 71 m 2H | 70 69 m 2H | 67 66 s 2H | 51 50 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCc1ccc(O)c(CCCCCC)c1
ir: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 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 2 8 2 1 1 1 0 1 1 1 1 3 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 2 3 1 2 0 1 1 1 1 1 1 1 1 2 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 1 1 2 1 1 1 0 1 1 1 0 2 2 3 1 2 9 1 1 0 1 1 1 6 100 7 4 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 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; 1HNMR: 69 69 ddt 1H J 9 19 87 | 68 67 dt 1H J 10 19 | 66 66 d 1H J 88 | 61 60 s 1H | 27 26 td 2H J 8 83 | 26 25 tt 2H J 9 79 | 17 15 m 4H | 14 14 m 2H | 14 12 m 27H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COC(c2ccccc2C2(O)CCN(Cc3ccccc3)C2)=N1
ir: 4 2 4 2 2 4 5 7 4 5 4 8 9 13 21 8 30 46 31 26 12 9 15 9 13 6 6 2 1 9 6 0 4 9 3 0 2 5 6 9 100 7 82 9 3 1 4 2 0 1 1 1 1 1 3 1 1 0 1 1 1 1 1 4 3 3 4 4 7 8 6 2 4 3 2 3 3 3 5 41 46 1 6 14 6 8 7 3 28 36 10 12 6 2 4 6 4 7 30 16 19 8 4 6 9 3 2 7 6 4 3 2 6 9 6 10 28 12 21 9 11 3 4 7 1 5 5 8 6 15 4 6 2 2 2 17 26 7 3 4 8 61 52 20 7 7 3 1 1 1 8 20 4 4 1 1 0 1 0 1 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 1 2 1 2 1 2 4 2 2 1 1 1 6 0 20 20 23 82 27 25 11 7 38 25 17 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 15 64 | 74 74 m 2H | 73 72 m 3H | 73 73 s 3H | 42 41 s 2H | 41 40 s 1H | 37 36 m 2H | 34 33 dd 1H J 7 123 | 31 30 m 2H | 29 29 ddd 1H J 32 50 124 | 23 23 ddd 1H J 33 51 134 | 21 20 ddd 1H J 30 49 130 | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(Nc2cc(-c3ccccc3)ccc2C(=O)O)c1
ir: 8 8 9 9 11 12 9 13 9 9 10 9 9 8 9 17 14 16 11 9 19 13 71 12 8 11 8 12 14 23 33 16 16 57 22 15 12 12 12 26 30 27 13 22 13 11 14 12 35 11 8 11 9 7 11 16 9 8 8 8 8 8 9 8 10 12 10 28 16 38 24 46 12 10 10 12 33 12 13 35 23 13 8 8 9 8 8 8 14 12 8 11 11 8 10 8 8 8 8 13 9 8 9 15 9 8 8 9 12 26 9 8 7 8 16 9 8 9 12 8 12 10 9 8 8 8 8 8 8 8 8 8 8 8 9 13 9 10 8 10 14 38 29 25 16 25 32 10 8 9 12 14 12 9 14 8 9 8 37 18 19 10 8 10 28 17 11 9 8 8 8 8 8 8 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 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 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 8 9 7 8 8 7 8 7 8 8 7 9 9 8 10 13 14 22 77 42 23 14 8 9 14 9 0 21 83 12 13 8 7 8 11 7 7 9 12 9 17 24 56 100 40 10 8 9 7 8 8 7 8 8 8 7 7 8 7 7 7 8 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 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; 1HNMR: 92 92 s 1H | 83 83 s 1H | 79 79 d 1H J 87 | 75 75 m 2H | 75 73 m 7H | 73 73 d 1H J 22 | 70 69 t 1H J 21 | 66 66 ddd 1H J 13 22 75 | 22 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCC1(CCC2(CCCN(C)C)SCCCS2)SCCCS1
ir: 27 13 7 6 8 11 18 8 2 4 5 6 8 5 6 3 2 5 5 2 1 4 4 1 1 4 4 1 1 5 7 4 2 5 4 2 3 9 8 20 12 11 6 9 7 13 13 8 7 9 10 5 5 5 10 16 13 20 7 2 4 7 19 30 9 7 19 18 29 33 7 2 6 7 7 6 6 8 15 2 10 8 3 3 8 24 40 100 20 8 46 61 50 25 5 6 9 7 8 19 27 7 4 4 8 16 29 16 18 27 27 21 13 17 16 20 20 30 42 24 19 25 33 21 18 10 4 6 7 4 15 24 12 5 4 4 5 3 2 5 4 2 2 4 4 1 1 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 3 2 4 4 2 3 4 4 2 3 5 5 4 6 11 17 25 21 18 10 6 8 6 25 36 35 14 8 6 5 7 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 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 3 1 2 4; 1HNMR: 29 28 ddd 5H J 39 54 135 | 28 27 ddd 5H J 38 54 135 | 26 25 t 4H J 56 | 23 22 s 10H | 20 19 m 4H | 18 18 s 3H | 17 16 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1=O
ir: 6 5 2 18 8 3 1 3 4 3 1 3 4 3 2 4 4 2 6 4 6 2 1 6 12 11 5 5 7 7 4 9 4 3 2 3 3 2 2 4 3 3 30 34 4 3 6 22 100 3 4 7 4 2 2 6 3 0 3 6 15 9 7 5 5 2 3 6 4 6 3 4 2 1 6 6 6 2 3 4 2 2 5 4 8 2 4 4 3 7 6 7 10 5 4 4 2 4 10 4 2 8 6 5 2 5 7 3 2 7 4 3 10 7 4 3 1 4 5 11 5 8 12 5 5 9 5 3 2 7 4 2 2 7 22 7 35 9 10 2 2 4 5 19 8 8 42 39 9 4 6 3 6 13 4 13 11 8 6 3 4 4 3 1 2 4 6 1 2 4 2 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 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 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 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 4 4 3 1 2 3 3 1 3 4 3 2 4 7 13 7 18 38 29 13 14 5 3 2 3 4 2 1 3 3 2 2 3 3 2 1 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 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 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 90 90 d 1H J 16 | 85 85 t 1H J 20 | 81 81 m 1H | 80 80 m 1H | 78 77 m 2H | 77 76 m 2H | 74 73 ddd 1H J 13 81 101 | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC1=C(c2ccccc2)S(=O)(=O)N(C(C)(C)C)C1=O
ir: 18 15 10 9 5 6 9 6 4 4 14 77 46 3 11 5 5 6 8 16 21 35 25 16 48 27 11 44 17 12 15 27 61 100 35 20 8 3 12 34 24 44 21 5 4 2 1 6 3 1 3 4 3 1 2 5 3 2 8 10 7 15 25 19 7 5 5 6 5 4 5 5 5 11 14 13 16 17 20 16 10 7 11 7 26 9 16 15 1 2 3 4 2 2 11 5 3 2 3 3 1 2 3 3 2 13 18 6 3 2 4 4 4 8 34 13 1 8 12 7 15 28 20 15 23 15 17 13 34 44 46 25 16 4 16 10 2 4 5 12 7 7 10 80 17 45 47 19 24 6 5 9 8 5 5 8 16 4 2 0 2 4 2 0 2 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 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 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 2 3 1 1 2 2 1 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 3 5 4 3 2 2 3 2 1 2 3 2 7 5 16 38 12 14 34 17 8 8 4 3 2 2 3 2 1 2 3 2 2 3 5 7 5 3 5 8 14 5 95 70 30 24 20 8 4 5 5 2 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0; 1HNMR: 77 76 m 2H | 76 75 m 2H | 75 75 m 1H | 66 66 d 1H J 77 | 40 39 dp 1H J 60 75 | 15 14 s 8H | 12 12 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc2ncccc12
ir: 4 10 5 6 6 4 10 6 3 3 4 3 4 3 3 9 2 4 3 4 6 6 6 3 4 3 3 3 4 5 10 15 5 5 3 7 4 4 6 25 49 18 6 4 3 5 4 8 15 13 6 6 6 3 5 14 82 15 4 0 3 5 7 13 6 7 7 49 19 16 5 2 4 10 5 3 8 8 5 3 3 3 3 3 3 4 6 12 6 18 7 6 5 5 3 3 4 7 10 12 7 3 3 3 3 4 2 3 4 3 2 4 3 3 2 4 3 3 2 4 5 4 5 4 5 4 2 4 6 5 6 11 15 6 7 20 6 3 8 14 5 9 7 17 14 12 7 7 9 40 5 7 18 10 11 44 12 11 3 3 3 4 3 14 6 18 13 6 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 3 3 2 2 2 3 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 2 2 2 2 2 2 3 3 2 3 3 3 4 5 8 14 15 34 100 72 64 11 8 5 8 7 4 4 5 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 88 88 dd 1H J 21 41 | 83 82 dd 1H J 21 85 | 82 82 s 1H | 79 78 m 2H | 75 74 dd 1H J 42 84 | 73 72 m 4H | 73 72 s 6H | 68 68 m 2H | 45 45 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(COc2cnccc2C(OC)OC)n1
ir: 4 27 27 9 3 8 9 3 2 3 1 5 6 2 2 7 4 16 11 11 5 3 1 2 3 13 9 5 29 2 2 2 1 1 4 2 3 5 2 1 1 1 6 5 4 1 32 100 7 5 2 0 1 2 4 8 4 18 8 2 3 15 4 1 7 4 13 11 26 6 11 13 6 10 11 10 3 5 10 25 14 13 9 3 4 10 13 5 3 2 4 6 9 7 5 4 2 1 1 1 2 4 7 11 5 3 1 1 1 1 3 3 13 36 12 11 4 7 22 17 16 21 3 5 5 1 1 2 3 4 7 5 17 1 2 2 2 2 34 21 4 8 40 14 5 1 4 49 12 2 2 2 2 1 3 14 8 7 12 5 34 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 3 1 1 2 3 3 1 1 2 1 2 3 4 3 11 10 25 55 33 15 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 dd 1H J 13 46 | 83 82 d 1H J 13 | 80 80 dd 1H J 12 78 | 80 79 t 1H J 78 | 75 75 m 1H | 75 74 dq 1H J 9 76 | 56 55 dq 1H J 12 28 | 53 53 d 2H J 9 | 40 40 s 2H | 34 34 d 6H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCCCn1ccnc1-c1ccccc1
ir: 2 2 2 5 0 10 1 1 1 2 2 1 1 1 1 2 5 18 7 24 19 6 4 3 1 2 2 2 4 10 7 6 5 3 6 6 3 3 6 6 8 10 65 30 4 11 30 5 2 0 1 3 1 1 1 1 1 0 1 1 2 1 1 2 1 1 1 1 17 10 2 1 1 3 2 3 2 3 4 1 1 2 5 9 19 2 1 2 2 1 2 2 3 5 6 2 8 7 2 4 3 2 3 14 5 14 3 4 7 9 2 2 2 3 2 2 3 3 12 10 5 3 2 2 2 5 2 1 3 6 5 36 24 30 100 15 25 17 56 45 9 6 5 1 2 9 12 10 3 3 3 8 6 5 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 8 3 3 3 2 3 3 7 15 24 24 17 33 24 31 26 9 11 7 3 2 2 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 m 2H | 76 75 m 2H | 75 75 m 1H | 72 72 d 1H J 40 | 71 71 dt 1H J 9 40 | 42 41 m 2H | 36 35 m 2H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1ccc(Nc2nc3ccccc3s2)cc1
ir: 11 12 10 10 16 21 12 11 9 12 19 27 13 12 11 12 11 10 13 12 17 13 22 52 22 16 33 19 41 17 18 14 19 13 11 14 14 11 9 14 14 0 100 16 11 22 12 5 9 17 10 9 12 19 18 26 25 16 11 9 10 11 9 8 10 11 9 8 17 22 9 9 10 10 10 10 10 11 9 9 10 11 10 9 11 17 10 9 12 12 10 10 11 10 10 11 22 21 23 45 21 38 26 10 45 11 9 10 11 10 24 11 11 10 8 10 23 11 9 10 12 10 9 12 14 12 10 10 11 11 9 10 10 9 9 10 11 38 10 10 10 13 18 12 28 11 10 11 18 17 16 22 48 74 29 12 13 9 11 11 10 9 9 19 11 10 9 10 9 9 9 10 9 8 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 9 10 9 9 9 10 9 9 10 9 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 10 10 10 10 10 14 11 15 25 67 34 23 13 13 13 12 11 9 10 10 11 10 10 10 10 9 10 10 12 11 12 13 12 18 39 42 42 13 11 12 11 9 10 10 9 9 10 10 9 9 10 9 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10; 1HNMR: 97 97 s 1H | 77 77 m 3H | 77 76 m 1H | 73 72 m 3H | 71 71 td 1H J 13 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCC(=O)CSc1cccc(OCCc2cccc(NC)n2)c1
ir: 2 2 1 2 2 4 5 3 2 3 3 3 4 2 2 1 1 1 1 1 2 2 2 2 1 3 1 1 2 5 5 3 2 4 3 1 1 1 1 1 1 1 3 2 3 11 32 39 20 6 2 2 2 2 2 1 1 1 3 2 1 1 2 1 2 5 3 2 1 3 4 0 1 3 2 2 3 2 3 7 3 2 1 1 1 1 2 3 1 2 4 2 2 1 1 2 3 2 1 1 2 2 0 1 1 2 1 1 1 1 2 2 4 3 6 4 5 6 3 2 7 8 4 4 10 20 10 2 2 2 3 3 4 1 2 4 3 10 5 19 43 15 9 12 15 5 14 4 1 1 1 1 5 3 7 1 20 100 70 10 8 3 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 2 2 3 3 3 1 2 1 1 1 2 9 10 5 11 25 16 5 2 1 1 2 2 1 1 1 1 0 1 1 1 1 2 4 3 5 10 10 5 39 19 4 5 3 1 1 2 1 1 2 1 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 2H | 72 71 ddd 1H J 13 22 71 | 69 68 m 2H | 65 65 td 2H J 11 75 | 54 54 q 1H J 47 | 44 44 t 2H J 59 | 42 41 q 2H J 66 | 38 37 s 2H | 32 31 td 2H J 9 59 | 30 29 d 3H J 48 | 29 28 td 2H J 8 83 | 27 26 td 2H J 9 83 | 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.
O=C(NCC1CCCCC1)c1c(Cl)ccc2nc(N3CC(NCCO)C3)ccc12
ir: 4 6 7 7 2 4 3 9 5 4 3 2 3 1 2 1 2 3 1 1 1 1 2 4 8 2 3 7 4 5 2 2 2 1 1 3 8 14 5 3 1 2 2 3 5 2 3 3 4 6 8 8 8 7 14 50 8 24 17 4 2 0 1 2 2 1 2 5 4 2 3 2 5 4 4 4 1 1 3 2 3 0 5 4 1 5 27 37 3 3 2 1 2 2 5 2 3 3 2 1 5 2 1 2 5 3 3 4 7 11 13 10 10 5 12 10 4 2 2 2 2 3 3 2 2 5 2 3 1 1 0 2 3 5 6 5 2 4 6 4 7 13 1 3 4 7 13 47 7 1 10 18 7 2 1 1 9 8 7 0 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 2 2 1 1 4 3 3 3 4 3 7 22 12 9 5 1 5 5 25 100 11 3 1 2 1 1 1 2 2 2 11 52 10 13 16 13 13 2 2 1 3 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; 1HNMR: 83 83 d 1H J 78 | 80 80 d 1H J 84 | 76 76 d 1H J 84 | 75 75 t 1H J 60 | 71 71 d 1H J 77 | 40 40 dd 2H J 36 123 | 38 37 dd 2H J 35 123 | 37 36 dt 2H J 48 55 | 36 35 dp 1H J 36 71 | 35 34 dt 1H J 46 68 | 33 33 dd 2H J 44 60 | 31 30 t 1H J 55 | 28 28 q 2H J 47 | 19 18 pt 1H J 45 58 | 16 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC[C@@H](O)CCCC
ir: 3 5 0 7 24 26 18 9 6 9 15 5 5 3 3 4 4 3 3 7 22 11 9 7 4 3 2 4 3 2 3 4 4 3 3 4 4 4 4 6 7 3 3 3 3 2 3 4 3 3 3 4 3 3 4 7 5 6 8 9 3 3 7 8 8 4 4 5 7 4 7 10 31 11 13 25 28 37 33 10 8 10 12 15 10 32 41 100 64 35 22 25 16 18 5 6 4 5 6 6 3 3 5 3 6 12 11 12 11 7 6 5 5 5 5 5 3 6 11 6 10 6 4 7 4 3 5 5 3 5 5 7 2 3 3 2 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 3 2 4 4 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 3 3 2 2 2 3 3 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 2 3 3 4 5 5 4 6 6 9 6 4 4 6 10 7 7 33 30 7 5 4 4 3 5 5 6 6 19 63 10 6 5 4 4 4 4 15 14 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 38 37 dddd 1H J 49 57 66 116 | 29 28 d 1H J 55 | 26 26 ddd 1H J 25 50 108 | 24 23 ddd 1H J 26 50 108 | 21 20 t 1H J 25 | 17 16 m 1H | 15 14 m 1H | 14 13 m 1H | 14 13 m 2H | 13 12 m 1H | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(Nc2cc(N3CCN(CCO)CC3)nc(C)n2)s1
ir: 4 3 4 4 2 6 22 11 2 8 20 29 6 15 9 2 5 7 8 14 6 3 3 2 3 4 3 3 7 3 1 2 0 5 9 67 5 1 2 2 2 2 3 3 2 1 1 1 1 1 2 2 1 1 1 2 3 7 1 1 1 2 7 28 26 12 11 7 5 3 1 2 2 4 4 2 10 4 2 19 3 2 5 8 8 11 4 35 38 4 7 4 1 2 1 2 1 2 1 6 14 7 3 1 2 1 2 2 12 5 5 6 2 4 3 2 1 2 4 5 2 12 6 3 4 2 2 2 2 4 5 9 4 3 2 3 1 1 0 1 2 0 1 8 52 50 46 30 13 4 2 2 1 0 0 1 1 0 2 4 4 100 18 4 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 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 1 1 1 1 1 1 1 2 2 1 1 0 2 1 2 3 10 4 6 8 6 3 2 1 2 3 45 97 12 3 1 1 1 1 1 1 1 1 1 0 1 3 9 6 11 27 7 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 79 78 s 1H | 61 60 s 1H | 44 43 q 2H J 64 | 38 38 t 1H J 63 | 37 37 t 4H J 55 | 37 36 m 2H | 27 25 m 6H | 24 24 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(O)c2cc(Cl)ccc2n1CC(F)(F)F
ir: 3 2 2 1 3 1 3 3 7 5 6 6 5 3 2 3 2 1 1 2 3 2 2 4 2 2 1 1 1 2 1 1 1 1 2 2 2 1 1 2 2 1 4 6 7 2 1 1 1 1 1 1 2 2 13 9 3 1 1 2 1 0 1 2 4 5 25 30 4 1 1 2 1 1 1 1 1 2 7 1 1 3 5 3 53 100 5 4 4 4 6 1 1 1 3 7 8 4 3 2 1 5 8 3 10 7 1 1 1 1 1 2 0 1 1 2 1 4 2 3 9 5 9 9 6 1 1 1 0 1 1 1 2 2 1 1 1 2 2 0 2 3 1 1 1 2 1 1 1 1 1 2 16 3 2 3 2 2 2 18 29 2 2 1 17 8 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 1 1 2 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 2 2 3 2 3 10 14 20 7 7 2 1 0 6 18 36 13 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 d 1H J 24 | 74 74 dd 1H J 25 89 | 73 72 d 1H J 89 | 63 63 s 1H | 46 44 q 2H J 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(N3CCCC3)nc2c1C#N
ir: 15 9 10 12 16 10 9 15 45 25 9 44 44 8 7 10 17 16 8 7 8 7 7 7 6 7 9 8 8 6 10 17 16 6 8 7 8 8 10 25 23 12 12 9 11 14 8 25 11 12 23 9 8 8 11 12 9 6 8 10 13 37 8 8 10 10 12 7 23 1 14 19 17 7 9 9 12 11 16 13 10 7 7 9 6 10 19 22 41 42 43 18 36 26 13 13 23 10 10 8 5 5 8 10 16 18 20 15 7 14 21 23 18 11 11 9 8 27 14 13 6 12 19 11 12 8 11 6 8 13 16 62 18 73 36 14 9 9 8 6 7 10 60 22 13 9 10 6 6 9 14 9 5 6 5 22 31 8 6 7 29 9 6 3 6 7 6 4 5 7 5 4 6 7 6 5 5 6 5 5 6 4 46 0 6 8 5 3 6 7 5 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 5 6 6 4 5 7 6 4 5 7 6 4 5 7 5 4 5 7 5 3 5 7 5 4 5 7 5 4 5 7 5 4 6 7 5 4 6 7 5 4 6 6 5 4 6 6 4 4 6 6 4 5 6 6 5 4 6 6 4 5 7 6 6 7 9 7 6 9 8 13 10 7 10 8 7 9 15 32 17 34 100 31 24 11 12 8 5 7 7 6 7 6 6 5 5 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 6 4 5 6 6 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 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4; 1HNMR: 75 74 m 4H | 74 73 m 1H | 38 38 m 4H | 37 36 m 1H | 36 35 ddd 1H J 46 64 113 | 35 34 m 2H | 31 30 dddp 1H J 16 32 49 66 | 24 24 s 2H | 23 23 d 6H J 15 | 21 21 m 1H | 20 19 m 4H | 18 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(/C(F)=C/c2ccc(C3(C(F)(F)F)CC3)cc2)nn1Cc1cccc(C(=O)O)c1
ir: 1 1 0 1 2 1 2 1 1 1 0 3 3 4 1 3 11 3 2 7 8 100 12 11 1 1 1 3 3 2 5 7 1 1 1 1 3 2 3 2 3 0 1 1 1 1 1 6 2 1 1 1 1 3 4 2 1 1 1 1 0 0 0 1 1 1 3 5 3 3 2 1 2 1 5 6 7 4 23 7 7 3 3 1 2 3 7 3 1 4 3 2 2 1 1 1 0 0 2 6 14 2 1 2 0 0 1 0 0 1 1 1 1 1 2 5 8 4 2 1 1 1 2 2 3 6 2 2 0 1 1 0 0 1 1 1 2 1 1 1 2 2 1 2 3 40 10 7 2 2 2 2 5 4 2 7 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 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 0 0 0 1 1 0 0 1 1 0 0 1 1 3 2 2 3 1 9 31 5 19 4 2 1 1 1 1 1 2 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; 1HNMR: 81 80 tt 1H J 9 22 | 79 79 ddd 1H J 12 21 82 | 74 73 m 3H | 73 73 dd 1H J 71 82 | 73 72 m 2H | 70 70 s 0H | 70 69 s 0H | 63 62 d 1H J 38 | 53 53 t 2H J 8 | 23 23 s 2H | 14 14 dddd 2H J 23 44 91 102 | 12 11 dddd 2H J 15 36 65 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(c2cc(F)cc(Sc3ccc(C(=O)CO)cc3)c2)CCOCC1
ir: 5 3 2 2 2 2 2 2 3 2 3 3 3 3 3 8 18 3 8 6 9 15 13 7 5 5 5 4 3 10 3 5 12 17 12 8 2 3 2 2 2 7 3 4 2 2 2 2 2 3 4 37 17 13 8 9 9 4 4 3 4 2 13 15 3 16 18 9 21 22 9 6 2 2 12 3 2 4 1 2 2 2 3 2 6 11 9 49 64 44 25 14 7 6 7 4 15 7 4 2 3 3 4 5 2 5 5 2 2 2 1 2 3 4 3 4 7 9 4 3 4 6 3 11 4 4 2 6 8 4 13 5 4 6 5 2 2 2 4 6 21 19 6 3 1 2 2 6 13 10 9 4 2 2 1 2 2 2 6 3 5 9 5 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 3 2 2 3 3 2 2 2 2 2 2 2 1 2 2 2 4 4 3 3 2 2 4 3 5 15 9 13 32 25 20 3 2 9 25 50 59 100 12 14 4 3 0 2 3 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 3 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 m 2H | 75 74 m 2H | 71 71 t 1H J 21 | 70 69 dt 1H J 22 121 | 69 68 dt 1H J 22 121 | 49 49 d 2H J 60 | 39 38 ddd 2H J 37 64 114 | 38 37 ddd 2H J 38 65 114 | 30 30 s 2H | 30 29 t 1H J 60 | 22 21 ddd 2H J 38 64 147 | 20 19 ddd 2H J 38 64 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(C(=O)NCc2nccnc2Cl)CC1
ir: 4 2 1 3 7 3 4 5 6 11 19 46 36 7 5 5 7 2 1 3 7 3 2 9 11 5 2 4 7 7 17 28 25 26 27 15 13 6 5 11 5 4 4 10 4 2 2 6 6 6 8 10 8 8 6 6 4 2 4 6 2 0 3 4 2 1 4 4 2 1 4 5 7 28 12 4 2 1 3 4 2 4 27 22 3 1 4 5 2 2 5 6 2 2 4 4 2 4 5 4 1 3 5 3 3 6 9 5 4 17 15 9 6 6 6 5 4 6 8 29 10 18 26 28 32 24 9 3 2 5 5 3 5 4 8 3 1 3 4 2 2 9 12 9 26 100 18 10 29 48 8 5 4 4 3 3 3 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 1 0 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 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 3 4 3 2 10 17 4 3 3 5 5 1 5 10 14 10 5 5 3 1 3 4 2 0 3 3 2 1 3 4 2 1 4 4 2 4 5 8 7 13 33 56 27 22 4 5 4 2 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 83 d 1H J 37 | 83 82 d 1H J 37 | 77 77 t 1H J 65 | 45 45 d 2H J 64 | 27 26 ddd 2H J 60 86 148 | 25 24 m 3H | 20 19 m 2H | 18 17 ddt 2H J 59 86 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(-c2ccccc2)ccc2ccccc12
ir: 0 0 1 1 0 1 3 2 0 1 2 1 2 7 3 6 2 1 4 33 53 18 1 3 10 2 1 1 1 1 1 3 7 2 1 1 1 1 1 2 2 10 15 8 1 1 1 1 1 1 1 1 3 5 13 11 1 0 1 0 0 1 1 1 1 1 0 1 5 6 5 1 1 2 2 2 2 12 22 7 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 5 2 1 3 3 1 1 1 2 7 2 1 0 1 6 3 1 5 3 0 0 1 2 1 0 1 12 14 8 1 2 4 4 10 10 3 4 3 2 1 70 44 11 10 13 2 2 7 16 2 1 1 1 0 2 3 3 0 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 2 1 1 1 4 5 16 100 23 14 5 2 1 2 1 0 16 6 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 17 72 | 82 82 d 1H J 84 | 79 79 dd 1H J 17 75 | 79 78 d 1H J 83 | 76 76 dd 1H J 14 46 | 76 75 m 3H | 75 74 m 2H | 74 73 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1c(C(=O)O)n(CCO)c2ccccc12
ir: 33 19 8 26 4 12 7 4 2 6 13 21 77 29 9 9 8 2 4 3 7 3 5 11 46 36 42 19 5 8 5 3 3 2 2 5 2 3 2 2 4 4 36 24 3 5 6 2 2 4 2 4 2 3 2 2 2 2 3 3 5 2 3 10 16 14 14 14 13 7 16 5 5 4 9 15 59 62 70 98 29 20 52 41 39 31 38 69 100 24 95 26 23 12 8 8 7 8 11 12 6 13 19 6 7 7 3 4 5 10 3 4 7 9 7 25 15 49 80 32 10 7 7 6 2 11 4 7 35 11 3 5 3 2 1 2 1 6 29 3 1 4 2 4 12 26 5 2 3 2 23 56 19 0 2 3 1 1 1 2 2 2 1 2 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 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 2 1 1 1 2 2 3 3 2 2 2 4 5 1 3 3 3 1 4 7 5 9 11 13 7 29 53 9 5 6 7 12 17 51 47 38 36 9 4 4 6 5 7 41 71 72 12 9 9 45 57 12 9 3 2 2 2 3 1 1 2 1 1 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 14 71 | 75 74 m 2H | 74 73 ddd 1H J 13 64 74 | 74 73 s 2H | 44 44 t 1H J 56 | 43 43 t 2H J 37 | 39 38 dt 2H J 37 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC(C3)N4)nc21
ir: 2 1 1 1 1 1 8 4 5 3 4 2 6 3 2 2 2 13 3 2 15 40 17 2 8 2 2 4 1 1 1 0 1 3 3 1 1 3 6 2 2 2 4 13 10 25 16 45 19 5 3 1 7 3 2 5 1 1 2 5 2 11 2 3 2 1 5 29 2 5 7 14 2 1 3 4 31 36 6 0 1 1 2 1 2 4 2 1 2 6 1 1 1 1 4 5 2 5 6 9 8 8 7 1 2 7 8 37 15 4 8 5 3 4 7 17 9 5 4 3 2 8 6 7 9 20 5 2 2 2 2 3 2 2 1 2 4 7 8 5 1 0 1 14 2 4 74 3 3 5 3 5 15 53 5 0 0 3 4 12 12 10 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 5 13 3 3 6 4 3 4 5 4 1 0 1 46 100 3 1 0 0 1 1 0 0 21 5 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 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; 1HNMR: 86 86 s 1H | 80 80 d 1H J 121 | 39 39 dd 2H J 29 132 | 36 35 dd 2H J 30 131 | 34 33 ddqd 2H J 11 20 31 64 | 26 26 t 1H J 57 | 20 19 m 2H | 17 16 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1c(OC)cc(C(=O)NC2CCCCC2Cl)cc1OC
ir: 1 2 2 2 3 3 4 6 2 4 3 3 2 2 3 3 2 2 5 3 5 5 14 10 0 4 3 1 3 4 5 2 4 4 3 2 3 9 10 10 51 45 14 8 3 2 3 4 3 2 2 1 2 2 4 2 3 5 4 2 5 7 3 1 7 6 7 7 16 14 3 8 3 3 3 6 4 4 5 3 5 2 4 6 2 2 1 1 2 2 1 2 2 2 3 2 3 4 1 1 2 3 2 4 3 4 6 7 6 4 3 4 5 8 4 4 4 3 3 3 4 2 3 5 3 6 3 2 3 3 3 6 3 3 2 1 2 3 5 15 5 2 3 1 2 27 100 62 21 2 2 4 3 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 5 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 3 2 2 3 2 2 5 5 4 10 18 10 4 28 19 4 2 1 2 2 1 1 2 2 1 1 2 2 2 24 9 3 6 6 5 3 2 16 30 18 8 2 3 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 71 71 s 2H | 70 69 d 1H J 65 | 48 48 d 2H J 26 | 40 39 m 2H | 39 39 s 5H | 25 25 t 1H J 25 | 21 20 dddd 1H J 46 61 86 132 | 20 19 dddd 1H J 37 59 87 142 | 19 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCCN1C(=O)c2ccccc2C1=O
ir: 4 3 5 5 13 7 7 5 3 3 3 3 3 2 8 8 4 3 3 6 9 5 2 2 2 2 2 2 3 2 2 3 6 5 3 3 3 3 18 100 71 7 7 6 3 4 3 7 7 5 2 3 3 2 3 4 6 8 3 5 4 2 3 3 3 2 2 3 5 14 15 3 3 2 7 5 11 12 7 5 5 2 5 5 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 19 10 3 5 6 10 10 11 5 6 2 5 4 3 2 3 4 4 0 12 34 18 17 8 6 7 8 3 1 3 3 1 1 3 3 1 2 3 3 2 2 11 27 7 8 3 4 6 4 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 3 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 3 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 3 3 3 4 4 4 2 2 4 3 2 3 8 8 5 7 30 23 5 4 4 2 2 2 3 2 2 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 42 41 t 2H J 59 | 26 25 td 2H J 26 57 | 21 20 t 1H J 26 | 20 19 p 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H]3CC[C@@H](CCC)CC3)CC2)CC1
ir: 5 2 1 4 2 5 4 4 2 3 1 1 1 1 2 1 1 2 4 1 1 1 2 1 1 1 2 3 4 5 5 8 4 7 16 25 14 15 4 2 4 2 4 5 2 1 1 2 2 2 3 4 8 11 10 12 8 8 7 7 7 2 3 6 7 5 13 10 17 15 17 9 8 9 7 25 13 3 10 6 13 4 4 3 3 1 1 1 1 1 1 2 1 2 1 6 5 4 6 8 7 2 18 15 31 57 14 47 31 24 9 36 21 14 14 13 19 24 34 20 22 9 30 33 19 18 15 14 4 8 5 4 3 2 2 5 17 30 25 6 4 3 2 2 1 4 2 1 1 1 1 0 1 1 1 3 6 3 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 6 5 5 7 11 9 9 27 10 22 13 12 18 30 17 100 83 71 29 15 6 5 5 4 1 2 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 dddd 1H J 41 54 68 149 | 56 55 dddt 1H J 16 32 48 148 | 41 40 m 1H | 40 39 m 1H | 39 38 tt 1H J 31 60 | 18 17 m 2H | 17 16 dq 3H J 11 53 | 16 11 m 31H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](N[S@](=O)C(C)(C)C)c1ccc(Cl)c(Oc2ccncn2)c1F
ir: 7 5 2 11 6 3 2 3 6 3 1 6 6 4 1 4 5 4 3 4 5 12 9 6 5 8 31 41 35 50 11 12 10 0 6 100 16 29 62 18 36 7 30 20 10 44 15 8 16 2 5 9 51 8 6 31 18 7 5 5 5 9 4 6 10 5 5 23 20 24 24 57 12 14 6 6 2 2 3 4 3 1 4 4 2 3 7 4 2 2 5 5 5 18 11 6 0 3 8 10 10 4 16 21 36 41 23 26 17 8 14 89 32 37 27 13 5 16 10 8 10 6 4 12 14 37 12 5 3 14 26 9 8 5 4 3 33 32 4 4 3 8 21 2 3 5 11 29 19 14 12 3 17 8 5 3 8 12 86 37 8 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 2 4 2 1 3 4 2 2 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 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 3 3 4 5 5 4 2 4 4 4 2 4 4 3 4 9 14 26 19 16 31 21 22 11 12 4 3 3 4 3 2 3 5 3 2 3 4 4 6 6 22 37 5 6 4 1 2 4 3 2 2 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 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1; 1HNMR: 88 87 t 1H J 16 | 85 85 dd 1H J 17 47 | 72 71 d 1H J 81 | 71 70 m 1H | 66 65 dd 1H J 15 48 | 46 46 m 1H | 27 26 d 1H J 86 | 21 20 dqd 1H J 46 64 128 | 19 18 dqd 1H J 46 64 129 | 12 12 s 8H | 9 8 td 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)SC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
ir: 13 13 11 4 3 4 3 3 2 6 2 4 3 2 2 2 2 2 3 5 2 2 2 2 3 2 6 14 15 8 6 11 18 6 7 10 8 10 8 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 5 3 2 3 5 4 3 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 7 5 2 2 2 2 2 2 2 3 4 3 4 4 3 2 3 5 9 6 6 4 3 4 4 3 1 3 3 2 3 5 3 7 18 15 7 6 5 4 3 9 10 9 6 5 2 3 2 3 7 12 11 4 2 4 5 18 20 55 18 5 8 100 5 9 4 0 1 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 3 2 3 2 2 2 5 6 6 8 18 7 2 2 2 2 3 3 2 2 2 2 2 3 3 3 2 3 2 2 2 2 2 2 2 6 21 29 31 11 4 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 49 49 t 2H J 55 | 42 41 p 1H J 38 | 37 36 ddd 3H J 38 55 132 | 34 33 ddd 3H J 38 54 130 | 24 24 s 3H | 14 14 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](C(=O)NC1CC1)n1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2c1=O
ir: 3 1 1 1 2 1 2 2 3 3 1 3 5 3 1 3 3 2 2 4 5 2 2 2 3 1 1 5 3 8 7 10 11 12 9 12 4 3 9 4 9 8 32 70 100 10 6 6 4 1 4 4 4 2 3 7 2 2 4 3 1 0 1 2 1 0 2 4 4 5 1 2 1 0 1 2 1 1 1 2 2 1 2 2 3 1 2 3 2 1 2 2 1 3 3 2 4 5 11 6 2 2 4 2 1 1 1 3 4 3 1 5 3 5 4 2 2 2 7 3 7 5 11 3 1 4 4 8 3 3 6 4 10 9 8 2 2 24 18 43 5 6 6 18 28 24 20 13 11 5 5 11 85 25 4 2 2 2 1 1 1 2 7 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 3 2 3 2 5 2 3 4 5 4 11 11 5 8 13 9 11 6 3 2 2 2 1 1 2 2 1 1 2 3 1 2 4 4 18 95 42 43 24 5 6 2 2 1 2 2 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 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; 1HNMR: 78 78 dd 1H J 12 83 | 77 76 dd 1H J 13 82 | 76 76 dd 1H J 17 78 | 75 75 t 1H J 83 | 71 71 d 1H J 79 | 69 69 d 1H J 79 | 50 49 qd 1H J 17 69 | 30 29 dp 1H J 48 79 | 25 24 s 2H | 21 20 tt 3H J 50 57 | 18 17 dt 3H J 57 130 | 16 16 d 6H J 50 | 16 15 dt 3H J 57 128 | 15 15 d 3H J 68 | 9 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)CCC=C(C)CCC#N
ir: 2 2 5 4 0 2 3 2 6 5 3 2 4 4 7 8 8 18 6 2 2 3 6 2 2 2 3 2 2 3 12 7 0 3 2 1 2 4 2 2 4 9 5 0 3 12 3 3 2 3 2 2 2 3 3 0 4 6 11 6 4 12 6 3 7 3 3 9 10 21 53 9 28 28 8 6 9 3 5 5 5 4 3 1 3 3 1 1 3 3 2 10 9 6 2 2 7 4 4 4 8 9 4 9 4 6 1 7 5 14 5 16 30 6 9 7 6 6 13 20 21 11 3 7 4 4 2 4 5 4 4 3 3 3 3 9 7 12 38 31 8 4 4 3 4 3 1 3 2 1 1 2 2 1 1 3 2 6 7 4 3 1 1 2 2 1 2 3 1 0 1 3 1 0 2 2 2 1 2 19 2 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 2 4 11 2 4 10 8 1 3 8 5 3 34 12 14 19 52 32 100 13 6 7 3 20 9 12 11 8 8 3 2 1 2 2 2 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 57 56 m 1H | 52 51 tdq 1H J 12 24 63 | 51 50 m 2H | 25 25 t 2H J 66 | 23 22 m 3H | 21 20 m 1H | 20 19 m 1H | 17 17 q 3H J 12 | 16 15 dqt 1H J 9 67 123 | 14 13 dqt 1H J 9 68 124 | 10 9 dd 3H J 9 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(N)c(C)c1O
ir: 9 10 10 15 9 8 3 4 5 7 7 12 8 5 2 5 7 2 3 6 4 4 2 4 8 3 5 4 7 3 2 4 7 3 1 4 2 2 2 7 6 10 7 3 5 1 2 5 3 4 5 10 22 18 15 29 7 2 2 3 2 0 2 4 3 1 2 4 3 5 3 5 2 3 5 7 12 8 5 2 1 2 5 3 5 34 29 26 99 9 3 2 2 1 2 2 0 1 3 2 1 1 2 2 0 1 2 1 0 2 3 2 4 11 5 2 1 2 2 1 1 2 3 2 4 8 8 2 2 10 3 1 1 2 2 1 1 2 3 2 1 7 2 3 2 4 6 1 1 4 2 1 4 8 8 20 35 3 3 3 2 5 16 1 1 3 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 0 1 2 2 2 4 6 5 3 8 6 11 3 3 2 2 1 2 4 36 12 2 1 1 1 1 0 2 5 100 8 0 0 2 2 0 0 2 3 2 12 3 16 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 d 1H J 82 | 66 66 d 1H J 82 | 47 47 s 2H | 26 26 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)N2CCOC3(CCN(CCOc4cccc(C=O)c4)CC3)C2)cs1
ir: 20 11 15 17 10 14 3 10 12 28 13 18 13 11 5 7 8 5 11 5 11 4 13 6 12 16 10 8 10 12 14 10 5 3 4 6 4 5 22 10 5 7 10 4 9 19 56 53 16 4 4 4 3 0 2 7 3 2 7 12 21 20 12 8 7 4 7 12 13 26 31 11 9 15 11 9 18 23 10 28 24 25 11 19 28 35 11 24 22 29 31 29 11 12 9 4 7 6 14 20 19 17 18 9 100 15 10 9 6 4 5 3 5 7 4 11 11 9 6 9 14 12 19 14 35 21 19 43 13 14 4 6 5 6 11 10 26 8 23 29 3 5 5 4 7 16 36 22 33 15 4 4 9 10 4 2 2 9 3 1 2 2 21 4 1 3 13 5 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 7 4 3 4 10 10 12 9 7 4 6 5 9 8 29 27 30 79 56 15 6 5 4 5 2 2 2 3 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 100 99 s 1H | 79 78 s 1H | 77 76 dt 1H J 23 78 | 74 74 t 1H J 77 | 73 73 dd 1H J 18 26 | 70 69 dt 1H J 25 77 | 41 41 t 2H J 59 | 39 38 dd 2H J 41 52 | 38 38 s 2H | 37 37 dd 2H J 42 52 | 30 30 t 2H J 59 | 29 28 ddd 2H J 40 67 123 | 28 27 s 2H | 27 26 ddd 2H J 39 67 123 | 19 19 ddd 2H J 40 68 132 | 17 16 ddd 2H J 40 67 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCN1CC[C@H]2c3ccccc3CC[C@@H]2C1
ir: 5 3 3 2 6 17 0 3 2 1 3 1 5 10 3 3 1 5 3 1 2 4 3 2 1 1 4 3 2 3 7 2 1 1 1 2 5 4 1 5 19 84 79 5 4 4 7 37 32 8 3 0 1 2 3 7 4 3 1 8 4 12 10 2 6 9 10 11 7 8 12 1 3 4 12 13 5 16 7 2 33 23 17 3 4 5 2 9 24 28 5 27 5 2 4 7 5 9 8 7 8 21 16 5 5 5 16 14 8 7 5 2 2 5 11 9 7 8 13 7 3 8 8 3 2 2 3 4 3 4 5 6 4 3 4 9 42 14 20 10 3 3 8 19 4 1 1 1 3 73 9 1 2 1 1 0 9 10 1 4 2 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 3 5 3 6 4 4 5 8 12 12 11 24 25 24 49 100 61 10 6 0 2 2 1 0 1 1 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H | 71 71 m 1H | 71 70 m 1H | 53 52 tp 1H J 17 51 | 33 33 dddt 1H J 10 19 52 139 | 33 32 dddt 1H J 9 21 53 139 | 29 27 m 5H | 25 24 dd 1H J 51 112 | 24 23 m 1H | 21 21 dddd 1H J 31 51 81 128 | 20 19 dddd 1H J 42 63 90 132 | 18 18 m 1H | 18 17 m 1H | 17 16 q 6H J 14 | 15 14 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCCOC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
ir: 4 10 13 4 5 11 3 5 8 4 7 5 4 3 13 21 7 6 4 4 3 7 7 3 5 8 3 3 2 4 2 4 5 8 12 30 7 6 2 4 16 15 15 13 3 3 2 1 3 7 8 2 2 2 2 2 2 5 2 2 3 2 2 2 3 4 2 4 7 3 3 2 2 3 2 2 3 4 2 1 2 2 1 2 2 1 2 3 31 4 3 2 2 3 2 2 2 4 4 2 3 3 2 2 2 3 4 5 5 3 7 8 8 13 5 4 10 6 3 8 4 2 3 5 4 10 10 4 3 5 2 2 4 2 1 5 6 5 3 11 18 8 4 3 2 3 6 45 100 17 8 7 3 1 2 3 3 0 77 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 20 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 2 2 1 2 4 5 6 5 4 2 1 2 3 5 8 8 6 11 11 18 3 2 2 2 1 1 1 1 2 1 1 2 2 1 1 2 3 2 2 4 3 5 3 25 53 12 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; 1HNMR: 83 82 d 1H J 9 | 73 72 dtt 2H J 9 38 56 | 72 71 dd 2H J 38 60 | 58 57 d 1H J 70 | 50 49 dp 1H J 59 70 | 46 46 d 2H J 8 | 42 41 t 2H J 66 | 38 38 m 2H | 33 33 ddd 2H J 8 58 147 | 31 30 ddd 2H J 9 59 148 | 28 28 m 2H | 25 25 t 2H J 65 | 22 21 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1C(CO)CNC(=O)OC(C)(C)C
ir: 10 7 13 7 6 5 2 5 0 6 5 3 3 3 2 2 6 4 2 3 4 3 2 3 11 30 98 40 8 8 5 9 5 3 2 3 2 4 3 5 2 2 2 8 4 13 14 4 3 3 1 2 2 1 2 3 6 2 3 2 1 4 3 4 4 2 1 2 3 3 3 4 2 2 2 1 2 3 6 7 3 5 3 1 14 15 25 79 89 15 6 5 10 6 7 4 3 4 4 4 8 3 2 1 2 2 3 2 4 3 8 2 2 2 1 3 6 4 4 10 10 9 21 11 3 5 6 5 6 12 12 10 7 3 2 2 3 2 3 6 28 12 8 11 32 34 17 10 11 34 7 4 2 2 1 1 2 4 2 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 3 2 1 3 2 2 3 4 4 2 3 3 3 2 3 3 5 4 7 14 26 3 7 23 35 0 2 5 2 2 13 100 36 13 5 7 2 2 3 2 1 2 3 2 3 8 13 63 42 17 5 2 4 1 1 2 2 2 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 71 70 dd 1H J 71 86 | 70 70 dd 2H J 9 77 | 54 53 m 1H | 40 40 dt 1H J 52 120 | 38 37 dt 1H J 51 119 | 37 36 m 1H | 35 34 m 4H | 23 23 s 6H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc2c(ccc3c2cnn3-c2ccc(OC(F)(F)F)cc2)c1
ir: 8 9 7 6 0 19 7 7 7 8 12 15 15 7 12 8 7 7 5 11 11 7 5 5 5 6 5 5 5 6 6 6 5 5 5 5 5 5 6 4 4 5 4 4 5 7 5 5 5 6 6 6 17 26 45 68 68 26 8 6 5 6 5 5 5 5 6 6 17 37 7 12 11 5 5 5 5 5 6 5 5 4 7 8 6 6 7 6 5 6 11 10 8 8 12 17 12 76 27 100 20 43 21 8 5 6 6 8 9 11 11 5 8 5 4 4 4 4 5 5 7 5 6 9 57 26 12 7 4 5 5 7 9 5 6 5 5 8 11 5 6 12 12 6 6 7 13 6 6 7 12 32 19 12 14 5 5 7 11 8 16 6 6 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 5 4 5 5 5 5 6 11 6 5 8 11 19 31 70 36 17 20 10 13 13 8 6 5 6 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 87 86 s 1H | 82 81 d 1H J 69 | 80 79 t 2H J 16 | 79 78 m 1H | 77 77 m 2H | 76 75 dd 1H J 22 69 | 74 74 m 2H | 69 68 dd 1H J 109 162 | 57 57 dd 1H J 27 109 | 56 56 dd 1H J 27 162
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3)c(F)c2)no1
ir: 3 4 5 5 1 7 3 5 6 4 4 9 9 2 2 6 2 5 15 13 3 5 9 3 2 9 5 3 2 4 4 1 6 15 8 36 15 10 5 6 3 6 5 5 4 3 6 8 17 3 4 7 8 32 52 14 10 3 6 3 4 3 3 2 2 2 2 6 9 7 19 17 29 7 5 3 3 3 2 2 3 2 1 1 1 1 1 2 4 2 2 4 1 1 2 5 6 2 1 1 1 2 1 0 1 1 1 1 0 1 0 1 6 3 2 1 3 1 1 7 11 3 6 6 4 4 5 9 2 3 3 2 3 2 2 3 19 17 3 2 3 6 2 2 3 4 18 17 60 88 39 34 20 29 11 10 5 2 8 100 30 3 2 15 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 1 1 2 2 1 1 1 1 1 2 4 5 15 13 11 24 20 24 13 4 2 2 1 1 1 1 1 1 1 0 1 2 6 9 12 2 8 4 16 38 15 5 4 5 5 21 20 2 2 2 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 99 99 s 1H | 82 81 t 1H J 19 | 78 78 dt 1H J 19 79 | 76 76 dd 1H J 51 81 | 73 72 m 2H | 67 67 d 1H J 79 | 60 60 s 1H | 52 52 s 2H | 38 38 d 2H J 9 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(Br)c(SC(=O)N(C)C)c(Br)c1
ir: 5 24 16 46 26 11 8 3 5 8 2 1 2 7 4 4 3 2 2 1 0 1 1 1 1 3 11 2 1 2 1 1 3 2 1 1 6 6 1 1 1 1 1 0 1 1 2 0 4 6 2 3 5 1 2 2 3 1 1 1 1 1 2 15 2 2 5 13 9 6 4 3 5 3 9 13 4 4 7 3 5 1 1 1 1 2 2 3 3 5 4 24 29 6 1 1 3 8 1 1 3 9 35 19 6 1 1 1 2 3 3 6 31 28 7 4 5 9 16 31 44 11 9 6 8 5 2 6 16 10 7 8 4 2 3 2 1 2 2 1 1 4 8 5 100 19 5 4 2 2 1 2 1 5 2 1 1 1 1 32 2 0 0 1 1 0 0 1 0 0 0 1 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 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 3 13 6 2 2 2 2 5 12 31 9 74 3 5 7 10 1 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 d 2H J 9 | 42 41 q 2H J 66 | 37 37 d 2H J 9 | 31 30 s 5H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNC(=O)NCCCC
ir: 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 3 9 10 2 1 1 2 0 2 5 5 0 2 7 24 55 37 21 11 13 11 6 2 2 3 3 3 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 0 1 2 1 2 3 2 2 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 5 6 2 5 12 5 1 1 2 2 1 4 4 3 1 5 4 4 8 5 4 4 3 2 3 4 1 1 2 1 0 2 4 2 1 1 2 1 1 2 2 4 2 2 4 1 6 16 100 25 5 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 1 1 1 1 2 4 4 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 3 5 3 9 16 24 26 11 5 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 55 54 t 2H J 48 | 30 30 dddd 4H J 12 41 48 60 | 14 13 m 8H | 10 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccc(CN)cc3)nc12
ir: 1 1 1 1 3 2 2 1 1 1 1 1 2 3 3 2 3 2 2 1 1 1 3 6 4 4 5 6 6 8 4 2 2 3 3 3 2 4 1 4 2 4 4 9 17 17 74 55 10 4 4 3 6 3 25 9 4 4 8 0 6 9 2 1 3 2 5 5 4 28 82 7 9 3 1 3 2 3 2 9 4 1 1 1 1 1 2 5 3 1 12 2 1 2 1 3 3 5 3 2 1 1 1 1 1 1 0 1 1 1 1 2 7 2 2 1 2 2 2 5 4 7 5 11 4 6 1 4 5 2 1 10 26 28 21 8 2 6 2 2 2 1 2 6 4 7 5 30 11 4 11 33 3 2 21 4 4 2 1 0 2 1 1 7 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 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 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 3 5 6 13 44 14 4 3 2 1 2 2 2 1 2 5 6 4 7 8 31 13 5 4 5 5 12 10 15 100 27 6 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 75 74 dq 2H J 9 81 | 71 70 d 1H J 92 | 69 68 d 1H J 92 | 41 41 tt 2H J 9 62 | 40 39 s 3H | 38 37 m 4H | 36 36 t 2H J 63 | 34 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cncn1Cc1cccc(I)c1
ir: 1 2 3 5 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 5 7 4 2 2 2 3 11 10 4 7 4 17 3 2 8 16 6 6 2 5 2 1 2 1 1 2 3 3 1 1 1 1 2 2 2 1 7 7 5 3 1 0 1 1 1 1 1 1 1 1 1 1 1 14 8 3 1 1 3 8 6 0 2 2 4 4 8 14 4 9 3 2 5 4 5 2 1 1 1 1 1 1 4 3 6 1 1 7 3 4 2 2 3 6 8 1 1 1 1 0 0 1 1 1 0 1 1 1 1 5 5 0 0 1 1 0 1 1 1 0 0 3 2 5 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 3 3 1 1 3 4 23 19 21 100 17 2 2 2 2 2 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 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 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 81 80 d 1H J 17 | 80 79 dt 1H J 8 16 | 76 76 ddd 1H J 11 21 75 | 76 75 td 1H J 10 20 | 73 72 ddq 1H J 10 20 68 | 72 71 dd 1H J 68 75 | 55 55 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(C1CC1)C2
ir: 3 9 18 18 19 18 23 18 4 15 24 26 25 50 66 26 23 34 77 100 57 77 86 67 52 57 38 17 20 17 12 5 6 15 12 11 6 12 13 12 5 21 15 10 14 18 14 5 10 18 9 2 7 14 8 1 12 18 14 4 8 15 6 0 10 15 16 11 43 53 19 7 11 15 18 26 36 62 85 74 55 16 29 20 19 24 18 21 21 22 7 13 17 22 8 6 10 12 8 22 34 19 14 7 11 7 4 6 11 9 4 9 13 8 6 14 23 13 4 12 30 16 10 18 22 14 11 18 14 14 4 16 25 13 7 11 10 7 6 19 54 35 38 59 73 25 36 17 15 20 14 18 15 9 11 14 9 4 17 33 9 9 64 28 7 2 6 11 6 1 6 11 7 2 7 11 6 1 7 11 5 2 7 10 5 2 7 9 4 3 7 9 4 3 8 9 4 3 8 9 4 5 10 9 4 4 9 8 3 5 10 7 2 5 10 7 2 5 10 7 2 5 10 6 1 5 10 6 2 6 12 6 1 6 10 6 2 6 10 5 3 7 9 5 3 7 9 4 3 8 8 4 3 8 8 4 4 8 8 4 4 8 8 4 5 9 8 4 6 9 8 5 6 12 10 10 15 17 9 6 7 23 12 11 38 28 51 56 60 35 22 5 13 18 11 21 76 70 60 26 13 12 6 3 8 9 5 3 8 9 4 3 8 8 4 4 8 8 3 4 8 7 3 4 9 7 3 5 9 7 3 5 9 7 2 5 9 6 2 6 10 6 2 6 10 6 2 6 9 5 2 6 9 5 3 6 9 5 3 7 9 5 4 7 9 4 4 7 8 4 4 8 8 4 4 8 7 4 4 8 7 3 5 8 7 3 5 9 6 3 5 9 6 3 5 9 6 2 6 9; 1HNMR: 66 65 t 1H J 9 | 64 63 t 1H J 9 | 47 47 s 2H | 27 27 dd 1H J 9 130 | 26 26 dddd 1H J 8 56 82 146 | 26 24 m 2H | 22 21 ddd 1H J 56 83 128 | 20 19 m 2H | 13 13 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCCN1Cc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1
ir: 1 14 9 19 12 13 15 7 10 16 11 12 15 15 8 4 4 4 4 6 8 9 6 9 5 7 16 18 11 13 14 8 8 8 8 7 7 12 22 21 41 19 39 35 11 25 40 74 86 100 31 5 14 8 7 4 7 8 8 5 8 11 9 15 11 40 35 4 11 19 19 18 27 27 13 4 9 4 3 9 21 33 30 41 25 16 6 5 7 6 2 4 9 7 1 3 6 5 2 10 14 10 20 9 15 8 6 12 12 10 1 89 2 4 9 5 4 4 6 17 9 11 4 6 6 4 6 6 8 11 13 8 5 11 3 5 13 9 7 8 8 0 51 30 16 19 38 25 8 16 59 34 89 8 5 24 30 42 98 28 18 11 4 3 2 5 4 2 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 1 2 2 2 1 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 1 2 3 3 2 2 3 3 2 3 5 5 3 6 7 3 3 6 8 8 12 18 9 14 22 44 14 7 5 5 7 6 3 3 5 4 2 3 3 3 3 5 4 4 4 6 11 42 59 60 27 12 14 9 9 3 5 4 3 2 3 3 3 2 3 4 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 98 98 s 1H | 97 97 s 1H | 87 86 m 2H | 77 76 m 4H | 72 71 ddt 1H J 9 18 73 | 70 69 s 1H | 40 40 dd 1H J 9 136 | 39 38 dd 1H J 8 136 | 37 37 s 2H | 36 36 t 1H J 47 | 31 30 ddd 1H J 31 48 119 | 30 29 m 1H | 21 20 ddt 1H J 49 65 115 | 20 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C#N)c(O)nc1C
ir: 1 2 2 3 5 25 21 4 3 2 2 1 1 2 6 2 1 2 5 2 3 2 1 1 0 1 1 1 1 2 3 5 4 2 2 1 1 3 3 3 9 5 1 1 2 1 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 2 1 1 3 8 13 6 5 2 1 3 3 5 15 33 6 1 2 2 2 1 1 2 2 1 9 4 2 1 1 2 1 1 1 3 4 1 1 2 1 0 2 3 3 0 1 2 2 1 2 3 3 3 3 4 3 1 3 3 1 0 1 2 1 0 2 3 4 3 2 3 2 1 9 5 2 2 2 1 1 2 2 10 28 5 1 2 15 10 5 1 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 5 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 7 4 1 10 5 2 1 1 1 0 3 5 100 24 6 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 s 1H | 43 43 q 2H J 63 | 27 27 s 3H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)OC1(C)C
ir: 4 2 2 5 19 6 10 3 3 1 1 1 2 2 1 1 1 4 7 5 3 5 2 2 3 2 9 15 5 2 2 1 2 1 1 1 1 1 1 9 4 1 7 3 1 1 1 0 1 1 1 2 3 7 30 2 4 1 1 1 1 1 1 1 1 2 1 1 3 8 4 3 2 2 13 8 3 1 1 0 1 1 1 0 1 1 2 2 2 3 1 0 1 1 3 7 10 4 16 10 5 2 0 1 1 1 1 1 35 2 1 1 2 8 3 8 5 8 22 5 4 9 6 1 4 2 38 7 8 15 100 6 20 6 2 2 1 4 3 1 1 1 1 4 2 1 1 4 56 3 2 8 2 1 1 1 1 0 8 9 19 2 1 0 1 1 1 0 0 1 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 9 5 5 17 15 6 5 4 3 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 d 1H J 18 | 83 83 d 1H J 84 | 83 82 dd 1H J 18 84 | 72 72 q 1H J 16 | 21 21 s 3H | 17 17 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@H](NC(=O)OCc1ccccc1)c1cc(Cl)ccn1
ir: 15 20 15 5 3 9 15 13 7 5 2 4 1 4 4 3 2 5 3 11 1 3 4 11 13 13 13 26 35 22 33 34 44 33 31 30 9 16 24 24 17 7 2 2 5 9 3 1 1 2 2 2 2 3 3 5 7 4 3 2 2 5 5 5 16 26 27 13 16 17 21 22 13 38 10 9 3 3 11 10 5 10 3 4 4 3 4 6 9 28 6 7 3 3 2 3 11 9 18 5 3 10 4 2 3 3 3 5 3 8 27 8 4 3 1 2 3 5 9 8 30 16 12 6 4 5 5 4 6 3 5 4 3 7 10 35 40 14 20 10 7 10 40 37 100 70 29 15 13 64 10 6 13 2 2 1 3 5 45 92 4 2 2 4 2 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 0 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 1 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 2 2 2 2 3 5 8 5 4 3 5 12 8 13 17 34 30 88 57 73 24 10 5 10 15 15 5 7 4 2 1 1 2 2 1 2 3 0 2 4 3 12 23 48 42 13 5 1 1 1 1 2 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: 85 85 d 1H J 38 | 74 73 m 6H | 72 71 dd 1H J 21 38 | 61 60 d 1H J 93 | 58 57 ddtd 1H J 17 88 107 161 | 51 51 ddt 1H J 13 24 163 | 51 50 s 2H | 51 49 m 2H | 29 28 dddt 1H J 15 64 91 167 | 27 26 dddt 1H J 14 62 90 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ccc3c(c2)OCCN3C)cc1
ir: 2 4 3 2 2 3 4 5 6 2 3 2 4 5 4 2 2 7 8 7 2 2 3 3 2 1 1 2 3 4 3 2 3 5 6 3 3 5 6 4 7 10 7 5 16 6 4 2 2 2 3 7 39 41 14 7 4 14 9 5 6 4 2 2 6 2 4 5 16 10 4 7 10 5 3 5 5 3 3 2 2 2 2 3 3 3 2 2 3 3 4 7 5 6 7 7 8 3 2 3 3 3 2 9 15 5 5 5 2 3 1 1 3 2 1 2 2 4 3 3 4 3 3 2 3 2 1 2 2 2 2 2 3 2 6 15 3 3 1 3 7 4 7 11 18 46 8 12 11 5 3 7 5 7 4 2 2 3 2 1 4 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 0 3 3 3 3 10 21 18 100 52 14 5 8 3 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 75 m 2H | 74 73 dd 1H J 18 79 | 73 72 m 5H | 71 71 d 1H J 17 | 71 70 m 2H | 70 70 d 1H J 79 | 43 42 m 2H | 37 36 m 5H | 33 32 m 2H | 30 30 s 2H | 29 28 dd 1H J 97 108
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1)OCC(Cl)(Cl)Cl
ir: 2 3 2 2 2 2 2 2 2 2 1 2 2 4 2 2 2 3 3 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 3 3 1 2 8 6 2 4 14 8 3 19 51 8 20 8 30 29 100 72 0 4 6 2 0 2 4 2 5 8 3 3 2 6 3 2 1 10 5 10 10 2 3 1 1 2 3 6 5 4 4 6 26 27 4 2 6 5 3 2 2 2 2 2 2 5 6 15 4 3 4 6 3 3 4 2 3 3 4 1 2 2 2 3 2 5 3 3 6 14 5 4 2 2 1 1 2 3 4 7 3 2 1 1 2 2 2 1 3 3 1 2 6 9 55 14 8 4 2 13 72 6 4 2 3 16 5 2 2 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 4 3 3 2 2 3 3 3 5 8 5 4 2 5 4 19 17 5 5 25 38 11 3 2 2 2 2 2 2 2 2 2 2 2 1 3 23 20 3 2 1 1 2 2 1 1 2 2 1 1 1 1 1 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; 1HNMR: 88 88 s 1H | 78 78 dd 1H J 18 73 | 67 67 d 1H J 73 | 63 62 dq 1H J 15 31 | 48 48 s 2H | 45 45 tt 1H J 14 26 | 39 38 ddd 1H J 28 59 114 | 36 35 ddd 1H J 26 58 112 | 33 32 dt 1H J 16 126 | 32 32 t 1H J 59 | 30 30 dd 1H J 33 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CCN(CCN2CCOCC2)c2nc(Cl)ncc21
ir: 6 9 23 5 4 4 2 6 2 4 2 3 3 2 4 4 4 6 3 2 6 12 2 3 3 6 6 6 14 13 2 3 2 8 6 34 38 5 6 7 54 26 12 4 3 5 4 3 8 4 4 3 4 1 7 2 4 4 3 1 2 2 2 4 3 6 2 2 4 3 4 2 10 10 2 3 44 1 5 3 1 5 56 27 18 5 12 3 3 2 2 7 4 1 2 2 2 4 3 8 3 5 5 9 6 2 1 4 5 3 1 2 3 3 4 23 6 5 8 4 2 3 2 6 4 5 13 18 9 10 7 5 37 12 29 9 4 4 2 1 3 12 53 6 4 7 100 61 4 16 17 59 3 1 2 1 1 1 1 13 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 4 2 1 2 2 1 2 2 4 13 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 82 81 s 1H | 38 37 t 2H J 68 | 37 37 m 9H | 30 30 t 2H J 72 | 30 29 t 2H J 68 | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccn(-c2cc(N)cc(C(F)(F)F)c2)n1
ir: 2 2 5 1 1 1 3 1 1 1 1 0 0 0 0 1 0 1 1 5 4 2 1 0 0 1 0 1 0 1 1 0 0 4 1 0 0 0 1 0 0 1 1 0 0 1 1 4 4 3 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 1 29 2 1 0 0 0 0 0 0 1 2 0 1 1 1 0 1 6 1 0 0 0 0 0 0 1 0 0 0 0 0 0 2 1 0 1 1 3 3 0 0 1 1 15 1 0 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 1 4 0 0 0 1 2 3 1 0 0 0 1 3 1 3 20 6 3 0 1 1 0 12 24 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 0 1 0 0 0 1 0 0 0 0 1 1 1 2 1 1 2 42 3 3 1 0 3 1 0 0 0 0 0 0 0 0 0 1 1 7 12 0 0 0 0 0 0 0 0 1 1 100 6 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 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; 1HNMR: 78 78 d 1H J 37 | 74 74 t 1H J 22 | 71 71 t 1H J 22 | 69 69 t 1H J 22 | 63 62 dd 1H J 8 37 | 56 55 s 2H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cccc(-c2ccc(C=C3SC(=S)NC3=O)o2)c1
ir: 1 2 3 2 2 3 3 4 6 11 4 6 6 4 16 20 7 5 6 4 18 12 3 2 2 5 6 3 2 2 2 2 6 5 6 5 13 42 14 2 4 4 3 1 2 3 3 2 2 7 10 57 13 5 3 4 20 14 9 4 3 4 2 2 3 3 2 2 4 18 4 2 3 4 3 2 7 3 4 2 4 3 2 2 2 3 2 3 3 11 1 1 3 2 2 2 2 2 2 1 3 5 12 2 2 2 1 2 2 2 1 2 3 2 6 3 4 2 4 2 2 3 10 4 3 3 2 6 5 2 3 3 16 7 9 14 4 2 2 9 66 7 3 2 3 4 9 3 2 3 9 13 2 8 6 1 4 34 100 21 5 3 2 11 4 1 2 4 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 3 3 1 4 12 15 12 10 13 13 4 3 2 2 2 2 2 2 2 2 2 2 3 8 34 13 4 2 2 5 49 4 8 5 7 5 15 94 11 7 3 1 2 3 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 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 83 83 t 1H J 21 | 79 78 ddd 1H J 12 21 77 | 78 77 ddd 1H J 11 22 93 | 76 75 dd 1H J 77 93 | 75 75 d 1H J 53 | 74 74 s 2H | 72 72 s 1H | 72 71 d 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(CC(N)c2ccccc2)cc1
ir: 8 7 5 14 5 7 4 4 8 3 7 4 4 6 2 4 5 2 1 2 3 3 2 4 3 2 2 3 2 5 6 5 16 6 2 3 3 1 2 3 10 9 13 6 3 6 5 2 4 3 3 2 3 5 14 14 32 16 3 3 1 2 3 8 3 7 18 4 38 27 6 5 2 3 4 16 13 17 9 17 14 3 3 2 2 1 2 2 20 4 12 4 1 1 2 2 3 8 4 2 1 1 2 1 2 2 5 3 2 11 4 2 0 2 1 2 5 2 2 2 6 4 3 5 3 4 5 4 5 7 3 48 11 21 6 35 21 3 3 2 2 2 7 7 2 3 4 1 2 4 3 1 14 4 8 20 100 30 3 1 1 3 9 99 2 1 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 2 1 2 2 2 3 2 6 9 9 10 50 42 3 3 3 2 1 2 3 1 0 4 6 4 4 26 15 5 27 33 8 1 38 89 6 2 2 1 5 5 69 67 10 6 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 5H | 71 70 dt 2H J 9 79 | 66 66 m 2H | 43 43 m 1H | 37 37 s 2H | 30 30 ddt 1H J 9 60 150 | 28 27 ddt 1H J 9 59 149 | 19 18 d 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccn2c(=O)c(N)c(Cl)nc12
ir: 4 5 5 5 2 16 17 8 46 44 34 20 8 10 22 9 10 6 5 7 5 7 18 17 11 6 6 8 5 5 9 9 6 4 4 6 7 4 4 6 5 4 5 9 11 40 90 6 5 5 6 6 6 4 5 4 5 4 4 5 6 5 5 4 4 5 4 4 5 6 9 6 9 7 5 4 4 4 4 4 4 5 5 6 6 6 5 4 35 45 21 19 4 17 32 5 4 4 5 8 11 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 17 15 6 4 4 5 4 4 4 5 4 4 5 6 6 36 33 11 2 2 25 6 3 3 12 14 0 4 70 38 11 7 2 4 5 5 6 16 30 11 33 92 23 9 25 34 8 5 2 4 5 4 2 4 5 4 3 4 5 4 3 4 4 3 3 4 5 4 4 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 4 4 5 4 4 4 5 5 4 4 4 5 5 6 5 5 15 8 7 6 7 18 13 32 26 8 7 6 4 5 4 4 4 4 5 3 3 5 13 36 14 5 5 4 4 4 5 4 3 6 22 100 95 12 8 6 5 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3; 1HNMR: 88 88 dd 1H J 13 70 | 76 75 dp 1H J 14 69 | 70 69 tq 1H J 9 68 | 49 48 s 2H | 25 24 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)C(=C2CCCN2C)c2ccccc21
ir: 7 3 0 4 17 6 2 7 13 5 5 3 4 2 2 3 7 5 19 14 4 1 1 4 6 11 6 5 3 1 1 4 3 3 2 4 4 3 14 14 5 12 43 27 5 2 2 5 7 11 26 18 7 4 4 6 22 11 9 9 7 10 9 7 8 2 10 5 11 5 4 10 3 2 10 13 10 5 4 7 38 5 5 5 3 4 6 7 3 10 8 6 5 4 8 7 2 2 5 3 0 3 11 21 5 5 4 3 4 24 8 15 18 5 12 14 12 10 15 14 9 13 4 4 3 6 9 10 16 7 4 6 11 9 5 1 1 4 8 4 2 10 26 2 2 3 3 1 1 6 4 2 5 30 100 72 4 60 7 3 2 13 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 3 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 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 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 3 2 5 5 3 2 3 8 5 5 4 4 4 3 4 16 23 8 9 98 34 14 10 6 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 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; 1HNMR: 78 78 dd 1H J 16 67 | 74 73 m 2H | 73 73 dd 1H J 17 62 | 43 42 q 2H J 51 | 34 33 m 2H | 30 29 m 4H | 19 18 m 2H | 14 13 t 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccccc2C(SCC(=O)c2ccccc2)C(O)C(N)=O)cc1
ir: 0 1 1 1 1 2 1 1 2 2 2 2 3 3 9 7 14 2 4 27 2 4 3 2 17 5 5 2 2 3 2 5 10 9 4 1 1 3 4 4 13 6 4 7 5 1 1 1 1 1 1 0 1 0 2 10 6 4 1 1 1 2 1 1 1 1 1 1 2 6 2 1 6 1 2 2 5 3 2 4 1 1 1 1 1 1 1 8 9 14 7 5 3 3 1 2 2 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 2 2 3 3 2 1 2 2 1 13 4 2 2 1 1 0 1 1 1 3 1 3 2 1 2 3 8 22 2 5 25 4 16 4 5 1 3 4 1 1 1 3 100 13 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 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 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 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 1 2 1 1 1 2 2 8 2 11 53 21 5 3 1 2 2 12 10 1 1 1 0 1 1 1 1 9 25 1 0 1 1 0 0 1 1 1 1 1 1 39 9 2 2 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 0 0 0 0 0; 1HNMR: 80 79 m 2H | 78 77 m 1H | 76 75 m 1H | 76 75 m 2H | 74 73 m 3H | 73 73 m 2H | 70 69 m 2H | 69 69 s 2H | 49 48 d 1H J 73 | 46 45 dd 1H J 49 73 | 44 44 d 1H J 165 | 43 42 d 1H J 163 | 38 38 s 2H | 30 30 d 1H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(S(=O)(=O)c2ccccc2)CC1
ir: 5 8 9 6 10 7 6 4 6 6 20 13 11 20 12 9 11 5 2 3 3 5 8 11 5 7 4 5 2 9 34 84 31 19 2 9 9 21 18 13 38 43 81 7 15 8 23 52 56 10 4 9 2 6 10 6 4 0 5 6 3 6 7 13 5 12 8 34 24 3 4 4 6 4 13 11 8 20 17 31 10 12 12 4 12 21 22 27 34 76 5 4 3 9 100 20 6 14 33 58 16 5 13 6 10 39 12 5 5 5 12 6 6 15 11 7 1 3 6 12 12 6 7 3 3 5 7 12 17 11 7 5 5 7 9 29 3 3 4 4 15 32 14 7 4 8 9 1 78 34 37 66 9 2 10 4 14 13 4 2 3 9 21 5 6 4 2 1 1 2 1 0 1 2 1 0 1 3 1 0 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 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 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 4 4 3 3 2 4 4 5 10 17 13 17 84 51 18 6 6 3 2 3 7 2 1 3 3 3 1 2 2 3 2 4 5 8 16 81 74 24 20 10 6 2 1 4 3 1 1 2 2 1 2 4 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 0 1 2 1 0; 1HNMR: 82 82 s 1H | 80 79 tt 1H J 15 75 | 79 79 t 1H J 22 | 78 77 m 2H | 77 76 m 2H | 75 74 ddd 1H J 13 22 75 | 74 73 dd 1H J 76 103 | 73 72 ddd 1H J 13 23 102 | 64 64 d 1H J 79 | 37 36 m 1H | 34 33 ddd 2H J 68 95 136 | 33 32 ddd 2H J 69 96 136 | 21 20 dddd 2H J 44 70 95 121 | 18 17 dddd 2H J 42 68 95 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(Cl)cc1NC(=O)Cc1ccc(OC)c(OC2CCCC2)c1
ir: 1 1 1 2 3 2 0 1 2 1 2 2 3 3 2 2 3 3 5 3 2 3 3 4 5 2 3 2 2 3 3 5 8 8 10 8 4 9 15 9 7 7 7 23 8 8 10 4 4 2 4 7 7 8 18 19 6 3 3 7 2 5 9 3 6 6 9 31 36 4 4 4 3 5 5 4 2 1 2 2 1 1 1 3 2 7 3 4 7 4 6 5 7 2 2 1 0 1 1 3 4 2 2 6 12 6 3 4 3 5 3 3 2 2 2 3 3 3 5 6 4 4 4 1 2 4 3 2 3 3 3 1 0 2 4 1 1 19 10 9 4 3 5 8 6 4 100 17 9 12 18 6 13 6 18 20 4 2 2 1 1 1 8 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 2 5 5 2 3 2 6 5 8 15 9 21 28 79 29 9 9 10 3 1 3 3 2 1 1 2 1 1 2 2 1 1 2 2 3 3 8 34 51 9 3 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 90 90 s 1H | 75 75 d 1H J 22 | 71 71 dd 1H J 22 86 | 69 68 m 2H | 68 68 m 2H | 60 59 ddt 1H J 55 114 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 48 48 p 1H J 37 | 46 46 dt 2H J 13 55 | 39 38 s 3H | 38 37 t 2H J 9 | 20 18 m 5H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(C(=O)O)c(NN)c1
ir: 3 3 5 4 4 6 3 7 10 12 10 6 3 3 3 3 5 4 10 10 20 18 26 7 2 10 12 5 3 5 14 15 19 36 53 11 13 9 13 14 16 3 3 8 9 4 5 4 2 2 2 2 2 7 9 7 3 2 4 2 2 4 3 3 2 2 2 2 4 2 3 2 3 3 2 4 3 5 11 4 4 6 5 3 4 3 2 5 6 8 4 2 2 2 2 2 1 2 5 7 2 2 1 7 1 2 2 2 2 4 3 2 0 17 39 8 2 3 8 3 2 3 3 2 3 3 3 5 11 21 17 10 5 20 17 3 2 4 3 5 3 6 14 25 42 10 8 3 23 21 5 5 20 11 4 8 3 3 5 30 3 2 2 2 9 4 2 2 1 2 2 1 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 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 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 2 2 2 2 2 2 2 2 3 2 2 2 3 3 4 6 6 13 22 10 2 2 3 2 3 2 2 21 100 37 11 4 39 23 7 2 1 3 3 2 3 4 31 38 60 17 4 3 2 3 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 t 1H J 41 | 79 79 d 1H J 82 | 78 78 d 1H J 21 | 77 76 dd 1H J 22 81 | 62 62 d 2H J 40 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(CN(C)Cc1ccc2c(c1OC)OCO2)OCC
ir: 5 4 1 1 2 3 5 6 3 13 3 5 5 4 4 3 4 4 6 2 3 2 1 2 1 2 2 1 1 1 1 3 1 1 0 1 1 1 1 2 3 1 1 1 2 2 3 0 1 3 3 8 6 5 14 33 13 12 4 3 15 12 3 4 2 100 7 15 4 5 5 0 26 5 28 22 12 10 15 24 10 1 3 5 12 4 6 4 3 16 9 13 3 2 3 3 2 2 3 4 4 3 4 6 4 8 4 3 2 3 1 6 3 4 6 3 3 3 10 6 3 6 9 2 4 2 4 7 6 6 2 4 4 4 3 3 1 1 0 1 1 1 4 5 3 1 1 0 2 1 0 1 1 9 2 1 1 0 0 8 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 1 0 0 1 1 0 1 1 1 2 0 1 1 1 1 2 1 1 1 1 3 2 8 15 12 11 41 13 10 3 3 1 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 dt 1H J 9 92 | 66 65 d 1H J 92 | 59 59 s 2H | 48 47 t 1H J 25 | 39 38 s 3H | 38 38 d 2H J 7 | 37 36 dq 2H J 63 112 | 36 35 dq 2H J 63 113 | 29 29 d 2H J 26 | 25 24 s 3H | 12 12 t 7H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O
ir: 2 11 4 2 5 3 11 2 0 21 12 8 3 4 6 5 0 5 4 5 1 4 5 1 0 16 5 15 5 4 3 1 0 12 28 57 3 6 2 1 2 3 3 3 23 4 2 2 2 4 10 55 10 6 2 0 3 5 2 0 7 28 4 1 11 13 7 27 11 4 6 25 44 22 8 7 6 11 54 4 13 4 4 1 3 3 2 20 5 5 2 6 4 6 3 3 9 17 5 4 5 19 14 23 14 16 7 6 9 11 19 26 15 18 10 14 25 18 12 7 48 16 4 8 8 7 7 34 45 22 18 21 21 16 6 8 5 3 2 3 5 16 9 3 5 2 10 100 3 3 2 3 2 2 2 6 68 6 2 3 3 0 5 16 31 4 2 3 2 1 2 2 1 0 1 3 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 4 6 4 6 9 21 9 8 11 6 19 17 9 30 67 26 62 18 18 6 5 6 11 2 2 2 2 4 1 2 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2; 1HNMR: 59 59 m 2H | 58 57 dt 1H J 10 20 | 57 56 dt 1H J 10 20 | 26 25 m 2H | 25 24 m 1H | 23 22 m 2H | 21 19 m 2H | 19 19 t 3H J 12 | 19 16 m 4H | 16 15 m 2H | 11 10 d 5H J 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CNC(=O)c2c1[nH]c1c2ccc2cnccc21
ir: 8 10 4 14 8 2 0 3 3 2 1 2 3 4 2 7 6 14 27 3 9 9 5 16 2 4 2 3 14 15 2 13 76 19 4 3 3 2 2 3 5 12 5 18 8 1 2 5 6 2 2 5 15 15 7 4 1 1 2 3 3 2 2 3 3 1 3 4 2 4 17 9 1 2 9 11 2 1 2 3 1 1 2 2 4 7 2 4 3 2 3 4 2 3 6 7 5 1 3 2 1 2 3 2 4 3 4 8 1 2 3 9 8 4 3 6 8 5 7 6 4 3 10 6 1 14 4 2 2 3 3 4 2 4 3 1 1 2 2 2 8 10 12 10 19 9 17 2 3 3 5 44 6 2 2 3 9 30 6 1 100 5 2 0 2 3 2 0 3 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 7 5 5 10 19 9 5 5 5 3 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 6 6 14 36 48 15 46 15 5 4 8 4 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 98 98 s 1H | 93 93 t 1H J 16 | 87 87 dd 1H J 13 46 | 82 81 dd 1H J 19 92 | 80 80 d 1H J 91 | 79 79 d 1H J 46 | 72 71 t 1H J 41 | 40 40 d 2H J 42 | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(OC)C(O)c1cccc(C#N)c1
ir: 5 11 18 15 3 11 7 7 9 9 16 14 53 30 18 11 3 8 6 5 6 7 11 3 3 6 7 6 6 6 7 5 4 64 39 83 41 5 17 6 8 10 5 14 26 31 13 28 29 51 26 13 6 8 5 3 5 5 7 7 9 11 6 3 6 13 49 31 36 62 37 20 28 21 25 20 17 18 15 28 50 40 50 47 16 8 83 96 61 39 55 51 30 41 15 30 15 7 7 4 8 6 2 3 6 4 1 3 6 4 1 3 10 7 5 8 7 6 9 7 9 6 3 5 8 6 11 11 25 17 3 4 5 3 1 5 5 3 1 31 61 31 14 6 5 2 2 5 4 1 2 8 13 8 6 9 5 2 4 7 6 1 3 6 3 1 3 6 3 0 3 5 3 0 3 5 3 0 3 5 3 9 9 10 4 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 6 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 5 2 2 5 5 3 2 5 4 2 2 5 4 2 3 5 4 4 4 6 6 2 4 8 5 3 9 15 7 11 14 15 40 58 92 9 8 4 16 16 72 100 74 31 17 8 8 6 4 3 4 5 3 2 4 5 3 3 4 5 3 3 4 4 2 2 5 4 2 3 5 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 77 76 dq 1H J 9 20 | 76 76 m 2H | 75 75 m 1H | 50 49 m 1H | 40 39 d 1H J 62 | 37 37 d 6H J 108
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=O)nn1-c1ccccc1
ir: 1 0 0 1 1 1 5 3 2 0 2 2 2 14 3 2 1 3 3 1 2 3 1 0 0 1 1 0 1 1 1 4 3 1 14 55 6 3 2 3 4 1 20 19 2 2 1 1 1 1 1 0 0 1 1 0 0 1 3 4 1 1 1 1 4 9 5 11 24 9 11 4 4 3 3 20 7 10 9 1 3 1 0 1 1 1 0 0 1 1 5 1 1 1 0 2 2 1 1 1 1 1 1 19 33 7 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 4 6 1 0 2 3 12 100 16 9 28 16 9 13 5 3 2 1 5 35 46 1 2 2 2 2 7 3 12 3 2 2 0 3 19 1 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 1 1 0 1 1 1 3 2 1 1 1 3 2 1 2 2 1 3 3 8 13 5 16 97 45 61 18 0 2 4 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 75 74 m 5H | 66 66 d 1H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@]32O)C1
ir: 6 2 2 2 1 2 1 2 2 1 2 2 2 1 7 2 4 1 4 7 7 4 2 6 4 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 2 2 1 2 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 1 1 6 4 5 5 2 4 2 3 8 7 3 9 5 5 4 4 9 3 2 2 2 2 6 1 4 2 6 2 4 3 4 3 7 3 10 8 4 5 3 9 6 8 3 4 9 2 12 12 4 4 5 6 14 3 5 8 2 8 12 5 5 3 3 3 1 2 1 1 1 2 2 4 2 2 2 1 2 9 26 7 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 0 2 2 4 4 5 4 3 2 8 8 2 4 18 25 6 6 3 2 2 3 2 2 2 6 100 7 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 48 47 dddd 1H J 37 44 62 71 | 40 40 s 1H | 27 26 ddd 1H J 65 83 151 | 25 24 ddd 1H J 66 84 152 | 22 21 ddd 1H J 65 84 137 | 20 20 s 2H | 20 19 m 3H | 18 13 m 16H | 11 11 s 2H | 9 9 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCCN1CCNCC1
ir: 1 1 1 1 1 1 1 5 1 1 2 2 2 2 1 1 1 1 1 1 3 1 1 1 2 1 1 1 1 2 1 2 8 1 1 2 4 1 1 5 13 7 7 18 23 39 15 1 3 3 1 1 5 9 25 10 17 3 2 2 1 2 2 1 2 1 20 11 12 4 1 1 2 1 1 1 1 1 1 3 9 5 9 12 52 0 6 9 2 1 1 3 1 1 2 1 2 1 2 1 2 2 2 2 1 1 1 4 6 14 42 6 5 5 2 3 3 4 6 6 3 2 4 3 3 2 5 3 1 8 6 3 3 2 4 2 1 3 17 2 1 0 5 2 2 3 5 1 1 1 1 1 7 21 3 2 2 0 1 3 5 78 3 2 16 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 0 6 4 6 4 14 12 3 0 1 4 5 25 14 1 2 2 1 2 1 3 2 19 23 100 16 4 8 21 3 0 2 2 0 0 1 1 0 0 1 1 0 0 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 86 s 1H | 79 79 s 1H | 79 78 d 1H J 22 | 75 74 m 5H | 74 73 m 1H | 73 72 d 1H J 86 | 68 67 dd 1H J 20 86 | 53 52 p 1H J 33 | 42 42 t 2H J 62 | 28 28 m 4H | 28 27 m 4H | 26 26 t 2H J 59 | 19 18 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(/C=C/C2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
ir: 1 1 0 3 2 2 4 10 5 3 3 6 14 6 6 4 2 1 3 3 6 3 9 7 7 5 4 3 4 3 6 8 8 3 27 11 2 4 4 5 3 7 9 5 1 2 1 1 1 1 2 1 2 7 9 1 2 2 1 2 1 1 1 1 1 1 2 6 13 14 3 1 2 2 2 10 11 4 1 3 0 0 1 1 1 2 1 1 1 3 8 1 0 0 1 1 1 2 3 3 3 7 6 2 5 3 1 1 0 1 2 2 1 0 1 0 0 1 1 2 1 2 3 4 2 12 5 1 2 3 1 6 5 6 5 17 19 30 83 14 6 3 8 41 46 8 100 14 3 5 1 1 9 1 1 1 1 1 1 1 0 1 0 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 4 3 3 6 14 11 22 26 25 7 3 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 4 3 3 23 12 15 61 28 8 5 4 2 1 2 2 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; 1HNMR: 76 75 m 2H | 74 73 m 9H | 73 72 m 2H | 71 70 m 3H | 52 52 m 1H | 48 48 d 1H J 73 | 47 47 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(N/C=C/[N+](=O)[O-])c(C(=O)O)c1
ir: 1 0 0 0 0 0 0 1 1 1 0 0 0 1 1 0 1 2 2 0 0 1 1 8 2 1 1 2 1 1 1 6 10 1 5 1 0 1 1 6 8 1 1 0 0 0 0 0 0 0 0 0 0 2 2 2 0 1 0 0 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 0 1 1 6 4 7 3 1 1 0 0 1 1 0 2 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 4 3 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 6 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 1 0 0 1 3 2 1 0 0 2 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 7 1 1 1 0 0 0 0 0 0 100 6 1 0 0 0 0 0 0 0 0 0 1 1 1 9 19 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 71 148 | 79 78 dt 1H J 9 20 | 78 78 d 1H J 77 | 72 72 ddt 1H J 9 20 77 | 70 70 d 1H J 148 | 28 27 qt 2H J 9 73 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClC12N=CN=CC1=NC=N2
ir: 10 14 4 37 13 23 14 5 1 3 3 2 4 3 7 9 8 6 4 3 3 2 2 2 2 2 2 3 3 2 2 3 15 4 5 13 12 3 2 2 3 2 3 3 2 3 5 11 12 3 2 3 2 1 2 2 2 2 2 3 2 2 2 5 15 9 4 3 3 2 2 3 2 5 28 18 11 2 4 3 2 1 15 11 2 7 3 2 1 2 2 2 2 2 2 2 2 2 3 5 6 5 4 2 2 7 56 3 0 2 5 3 100 68 4 4 15 25 2 2 2 2 3 2 2 3 8 4 14 22 6 2 2 3 3 6 5 5 18 8 7 37 21 19 4 2 2 2 2 2 2 2 2 3 5 4 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 87 87 s 1H | 87 87 d 1H J 13 | 81 81 d 1H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(CSc2c(Cl)cccc2Cl)n1-c1ccc(F)cc1
ir: 4 9 13 4 2 1 2 3 3 8 12 3 1 4 5 1 2 1 1 3 3 2 1 1 1 1 1 1 1 3 11 2 2 2 2 2 1 1 2 6 4 14 11 6 5 3 16 19 2 2 2 2 5 16 6 4 10 16 3 1 2 2 1 1 3 8 1 1 3 13 1 1 1 1 2 3 1 1 1 1 2 6 3 7 42 14 8 4 5 8 4 3 2 1 2 1 3 7 5 2 4 13 2 1 2 2 3 2 2 2 3 4 5 9 5 1 2 2 1 3 4 10 2 1 3 15 12 3 3 6 1 1 2 1 1 1 4 9 49 6 2 1 1 2 3 8 6 54 3 2 1 2 11 7 75 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 2 1 1 1 5 14 22 2 14 100 24 16 14 2 2 2 3 72 30 13 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 81 81 s 1H | 74 73 m 5H | 72 71 m 2H | 44 44 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(CC#N)N2C(=O)c3ccccc3C2=O)cc1OC
ir: 3 2 4 2 5 2 11 2 3 2 1 2 3 2 2 3 2 2 2 3 3 3 2 2 4 5 6 2 2 2 1 3 2 6 4 14 3 6 3 0 35 100 2 5 3 1 6 12 5 1 3 5 7 2 7 14 6 2 3 4 4 3 6 7 6 1 5 17 6 1 3 5 2 2 4 4 1 1 2 2 2 1 2 3 1 1 2 4 5 2 4 5 2 1 3 2 2 1 2 6 2 4 4 3 1 2 3 2 2 2 8 7 9 3 4 3 1 5 8 8 6 5 4 9 15 3 5 3 2 3 4 11 26 10 27 17 7 5 12 1 1 2 3 6 8 2 2 1 2 5 8 6 4 2 58 12 11 3 3 5 2 3 2 1 1 2 2 1 1 2 1 1 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 4 2 2 5 12 4 12 66 29 11 6 4 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 70 69 m 2H | 69 68 d 1H J 78 | 52 52 tt 1H J 8 32 | 39 38 d 6H J 22 | 33 33 dd 1H J 31 101 | 31 30 dd 1H J 31 101
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)Nc1ccc(-c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)cc1
ir: 4 1 1 0 0 1 1 2 2 1 3 4 0 2 3 5 3 1 1 13 7 6 6 4 1 1 3 2 1 4 3 4 2 2 1 2 2 3 2 3 4 12 14 10 18 7 6 5 6 3 2 3 5 6 17 6 13 20 2 1 1 1 1 0 1 1 1 0 5 3 1 2 3 1 1 1 1 1 4 1 1 2 3 7 2 1 3 3 2 2 4 2 1 1 1 1 1 0 1 1 1 1 1 1 3 1 0 1 1 0 1 2 1 0 0 3 1 1 1 1 1 1 1 1 2 1 1 1 0 3 13 2 1 0 1 15 3 1 1 1 2 13 5 17 7 5 5 10 11 4 4 10 46 14 3 1 1 3 14 41 6 2 2 1 11 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 3 1 2 2 4 5 16 74 19 7 2 5 2 2 1 2 1 1 1 0 1 1 1 1 1 22 2 1 1 5 10 10 10 2 2 2 1 4 100 5 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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 0 0 0 0 1; 1HNMR: 96 95 s 1H | 80 79 m 3H | 77 77 s 2H | 77 76 m 3H | 74 73 m 2H | 71 71 tt 1H J 14 75 | 71 70 m 6H | 64 63 dd 1H J 107 162 | 60 59 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(C(=O)OC)C(C(=O)OC)P(=O)(OC)OC
ir: 10 42 21 20 11 14 7 13 7 5 5 7 7 6 1 3 4 2 3 8 3 2 1 4 7 1 2 11 5 2 1 3 3 1 1 3 4 12 3 3 4 4 6 9 25 10 4 6 5 7 14 26 13 3 2 4 3 0 2 3 1 0 6 18 12 20 9 9 42 20 37 10 13 17 7 14 9 7 22 7 6 8 82 10 3 6 2 2 2 1 2 2 2 3 4 4 7 9 11 3 5 15 29 19 24 35 48 43 11 5 8 6 5 6 3 10 5 16 15 92 52 82 19 20 6 6 6 9 7 3 4 3 3 5 5 5 4 2 4 2 3 7 4 100 19 59 11 3 1 4 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 2 2 3 5 4 3 5 5 8 13 14 14 49 22 8 11 18 37 14 4 4 2 2 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 39 38 dt 1H J 93 116 | 38 37 s 2H | 37 36 m 13H | 29 28 dd 1H J 94 165 | 26 25 dd 1H J 93 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCO)C2
ir: 2 4 3 5 4 5 7 3 4 6 3 8 3 8 4 3 3 3 4 2 1 3 3 2 1 6 3 3 3 3 3 2 1 2 3 1 2 7 5 1 7 3 3 4 2 2 4 1 2 6 4 5 10 4 4 3 4 7 20 20 13 36 6 6 6 8 15 13 11 5 8 5 8 15 6 4 5 4 4 4 2 4 10 24 37 49 75 100 9 60 21 18 13 8 11 4 5 4 1 4 4 16 13 14 15 10 11 9 15 7 7 4 4 4 2 4 7 6 2 10 10 9 1 3 14 4 3 5 4 2 1 2 2 1 2 3 3 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 4 3 3 10 10 7 2 6 6 7 3 7 11 7 29 42 14 6 7 4 5 3 9 10 8 28 77 21 12 7 5 4 3 2 1 2 2 1 2 2 3 1 2 4 3 2 2 3 2 2 2 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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: 40 40 s 5H | 37 37 s 5H | 36 35 q 2H J 58 | 31 30 dd 2H J 63 153 | 28 28 dd 2H J 63 153 | 27 27 t 1H J 59 | 20 19 hept 1H J 63 | 16 15 m 2H | 15 14 m 2H | 14 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=O)cc1-c1ccc2c(c1)OC(F)(F)O2
ir: 1 2 1 2 1 1 2 5 5 1 1 1 1 1 1 1 2 2 2 1 1 3 4 5 1 2 2 2 2 1 1 1 1 2 2 4 2 2 2 2 1 1 1 2 3 2 1 1 1 1 3 11 29 25 21 5 11 4 3 10 10 6 4 2 4 24 10 7 5 12 4 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 4 2 3 6 7 10 7 8 20 100 21 13 4 3 35 9 3 6 5 6 2 1 1 1 0 2 6 3 1 2 1 3 7 8 9 4 2 3 3 1 0 1 1 1 0 1 1 1 2 5 10 13 4 9 1 1 3 42 12 3 4 9 9 2 1 2 1 0 0 1 1 0 1 3 12 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 3 2 1 1 1 1 1 1 1 1 1 2 2 3 5 5 28 53 33 7 4 3 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 80 80 d 1H J 22 | 78 78 dd 1H J 22 86 | 74 73 d 1H J 16 | 72 72 d 1H J 76 | 71 71 dd 1H J 17 76 | 70 70 d 1H J 85 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccc(F)cc1
ir: 1 4 7 5 0 1 1 1 3 1 1 2 8 1 2 1 1 2 1 2 1 0 2 0 0 0 1 0 0 1 0 0 0 1 4 1 0 1 1 1 1 2 1 1 4 3 1 1 1 2 8 4 7 14 64 72 13 6 2 1 3 1 2 1 4 4 6 19 18 5 4 4 5 2 3 9 0 2 1 5 17 5 1 0 1 2 4 9 6 8 1 1 3 1 1 1 3 3 6 1 1 6 2 1 0 1 0 0 0 2 2 4 7 4 3 3 1 2 11 6 2 4 0 1 16 2 2 1 1 1 0 1 3 10 5 2 1 0 1 1 9 3 2 3 14 1 10 100 3 3 3 18 9 13 3 1 1 0 1 0 0 0 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 2 1 2 3 5 11 12 41 50 36 14 4 1 3 4 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 q 1H J 14 | 74 74 dd 1H J 9 22 | 74 73 m 2H | 73 72 m 2H | 70 69 m 2H | 39 38 s 2H | 31 30 dd 2H J 38 47 | 28 28 m 2H | 24 24 s 2H | 22 21 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCCCOc1ccc2c(c1)CCN2c1ccc(Br)cc1
ir: 2 4 6 4 2 3 2 7 3 2 3 2 3 4 5 2 1 3 5 3 1 1 2 0 0 1 0 0 0 1 1 0 1 3 1 1 1 1 1 1 1 2 1 2 4 2 1 2 2 2 2 3 5 35 28 36 6 2 4 1 1 3 1 4 8 2 0 0 7 17 17 5 3 9 5 1 1 2 3 1 7 6 7 5 4 6 2 18 11 2 5 7 7 2 3 2 2 10 3 1 2 2 2 6 2 2 3 2 1 3 1 3 1 2 3 3 13 4 4 3 1 1 2 2 3 2 1 1 1 1 2 3 2 3 5 2 3 5 2 2 1 0 1 5 1 2 2 3 31 4 4 7 12 5 3 1 1 0 0 1 1 6 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 2 2 0 1 1 3 3 6 2 1 1 1 3 3 10 24 3 23 100 11 15 5 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 70 70 d 1H J 88 | 70 69 m 2H | 68 68 dd 1H J 22 88 | 66 66 dt 1H J 8 20 | 40 39 m 4H | 31 30 m 2H | 29 29 q 4H J 69 | 26 25 t 2H J 60 | 18 17 m 2H | 17 16 m 2H | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1cncc(F)c1
ir: 2 3 4 7 3 3 1 11 19 10 4 3 3 2 1 2 1 2 1 1 2 2 3 5 3 1 1 1 1 1 1 2 4 42 27 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 2 2 2 2 1 1 1 3 2 1 1 1 2 2 4 9 14 10 8 2 3 6 3 3 3 2 7 17 31 6 2 2 3 4 4 9 12 33 36 54 15 11 10 4 3 2 1 1 1 1 1 1 2 2 1 1 1 2 2 2 1 6 16 4 3 3 11 12 5 16 3 4 4 2 2 1 0 7 7 4 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 13 7 1 1 1 1 8 5 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 4 4 3 2 2 4 2 4 2 6 4 1 3 9 3 4 16 10 7 6 11 9 3 1 4 18 12 89 100 0 4 7 3 0 2 3 1 0 3 4 2 3 4 3 1 2 5 3 1 1 3 2 1 2 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 83 m 1H | 83 82 dt 1H J 18 141 | 75 74 m 1H | 51 50 m 1H | 36 36 d 1H J 53 | 15 15 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC(=O)C1
ir: 0 4 7 4 3 10 4 3 3 6 7 3 7 5 5 3 3 9 5 2 2 5 4 6 16 14 5 3 7 7 4 2 3 6 10 4 3 6 5 4 3 5 5 1 6 4 3 1 3 6 4 0 5 6 5 3 8 14 11 1 3 5 2 1 4 6 3 9 9 11 7 3 5 9 4 8 42 7 3 3 4 5 2 2 10 21 5 10 6 9 2 4 7 4 1 3 8 8 8 95 4 4 2 2 4 4 22 5 7 3 3 7 7 5 2 5 8 7 4 6 9 9 4 35 9 11 12 9 9 3 6 5 6 7 6 4 4 2 2 4 5 60 11 8 29 12 3 6 4 0 100 4 3 7 8 4 3 1 2 4 3 1 5 5 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 10 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 5 3 2 3 6 6 2 6 5 4 4 3 4 9 7 22 11 11 23 14 28 4 2 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 78 d 1H J 77 | 72 72 dq 1H J 9 20 | 68 67 dd 1H J 21 78 | 37 36 m 1H | 35 34 dq 1H J 77 128 | 34 33 dq 1H J 75 126 | 28 27 dd 1H J 66 150 | 26 25 dd 1H J 66 150 | 25 23 m 2H | 20 19 m 2H | 19 17 m 2H | 12 11 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2c1ccc(N)c2Br
ir: 2 14 11 12 7 6 24 17 5 5 3 4 8 4 2 3 3 2 1 2 1 1 3 2 4 2 1 4 4 1 1 1 2 1 1 5 6 9 2 2 3 6 12 7 3 3 2 3 2 1 1 2 1 4 6 13 5 5 2 1 1 1 1 3 2 1 1 3 2 2 2 3 2 3 3 4 1 1 3 3 6 3 6 3 3 1 2 1 2 3 2 2 6 4 2 6 2 1 1 3 2 2 3 4 2 1 1 1 2 5 3 1 1 9 10 2 0 2 2 8 3 2 2 2 2 6 2 4 16 7 6 4 1 4 3 2 4 6 1 1 1 2 3 12 9 2 2 4 11 11 5 4 3 1 19 100 66 26 3 3 1 10 4 2 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 3 4 7 10 14 40 11 1 2 3 2 1 2 1 1 1 1 1 1 1 1 2 1 17 21 2 1 1 1 1 1 1 2 1 2 33 68 7 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 76 76 dd 1H J 18 69 | 75 75 dd 1H J 16 78 | 75 74 m 2H | 73 73 d 1H J 82 | 70 69 d 1H J 82 | 41 41 s 2H | 36 35 s 3H | 16 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C[C@@H]1C[C@H]1c1cccc2c1CCO2
ir: 2 2 2 2 2 3 3 10 7 7 4 4 2 2 3 5 2 3 4 2 2 2 2 3 3 2 8 8 3 3 3 6 3 1 3 4 7 12 15 7 9 4 15 2 9 29 73 36 70 32 20 18 16 20 25 30 14 2 18 12 4 0 4 7 31 69 7 3 4 1 2 2 3 8 6 20 5 6 6 3 5 6 9 4 1 17 24 27 10 29 6 6 4 11 12 6 2 4 5 5 16 9 14 12 10 13 8 10 16 35 21 4 1 2 3 2 1 1 3 2 1 2 3 2 4 6 3 2 1 2 3 2 0 6 16 35 22 16 24 39 42 9 9 7 9 8 14 6 29 36 22 73 38 45 20 23 60 44 5 2 1 4 3 1 2 3 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 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 5 3 4 4 4 4 1 5 6 5 3 5 6 4 2 9 41 16 71 100 55 98 56 39 17 7 5 3 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 ddt 1H J 9 17 66 | 72 71 m 1H | 69 69 dt 1H J 9 85 | 68 67 dd 1H J 13 81 | 45 44 m 2H | 32 31 ddd 1H J 35 49 163 | 31 30 ddd 1H J 35 49 163 | 29 28 m 1H | 25 24 ddt 1H J 65 75 103 | 17 16 tdd 1H J 9 64 75 | 13 13 qd 1H J 9 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(OCC)c(Br)cc1OCC
ir: 2 21 15 9 8 10 5 14 27 26 10 4 3 4 8 3 4 5 6 3 3 4 4 2 7 7 7 4 4 4 3 2 2 14 4 6 5 5 5 4 3 5 4 4 5 5 6 6 4 5 4 5 3 5 3 2 3 7 3 1 6 5 14 26 5 6 14 3 45 6 5 7 22 51 50 30 23 18 7 3 4 4 2 3 4 7 16 3 3 4 2 2 4 4 3 3 5 15 1 4 8 3 1 2 5 4 0 3 10 12 99 18 3 19 23 11 12 14 16 6 11 11 7 7 5 6 4 4 12 10 4 3 3 3 3 4 4 4 6 16 11 4 5 10 18 100 9 12 32 26 8 3 5 30 14 5 5 4 3 4 4 2 4 10 4 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 3 3 4 9 7 5 3 4 5 3 5 8 6 7 6 2 7 21 28 13 25 45 12 7 4 2 3 5 4 3 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 74 74 s 1H | 73 73 s 1H | 43 42 q 2H J 64 | 42 41 qd 4H J 37 62 | 15 15 t 3H J 62 | 15 14 t 3H J 63 | 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.
COc1cccc(Sc2ccnc(Nc3cc(OC)c(OCCO)c(OC)c3)n2)c1
ir: 6 6 7 8 2 8 5 6 1 7 5 5 3 3 3 3 3 3 4 12 5 5 4 3 4 5 9 10 2 2 4 6 11 8 6 12 26 54 22 7 3 2 2 1 2 1 6 15 7 4 2 3 3 3 3 0 2 2 1 0 1 2 2 2 3 25 21 7 16 7 5 4 5 3 6 2 1 1 3 1 2 2 3 2 5 7 14 23 15 7 11 3 5 10 3 5 3 1 7 10 3 3 1 8 11 4 1 1 1 1 1 4 3 1 1 6 2 2 2 2 1 1 1 1 0 2 2 2 1 1 1 4 3 1 0 1 1 1 2 5 14 5 11 3 2 1 2 23 38 25 3 9 1 0 5 32 4 2 22 4 5 5 2 9 94 8 10 2 1 2 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 2 6 4 5 4 26 22 15 5 4 2 2 22 21 8 2 1 0 1 1 1 1 2 1 1 0 1 1 4 6 73 100 18 3 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 84 83 d 1H J 42 | 74 73 m 2H | 71 71 s 2H | 69 69 d 1H J 42 | 69 68 m 2H | 41 41 t 2H J 46 | 39 38 s 2H | 38 38 m 2H | 38 38 s 7H | 37 36 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(CS(=O)(=O)c2cccnc2)ccc(Br)c1OC
ir: 30 34 44 42 10 11 11 5 9 32 35 8 6 6 17 5 6 4 6 5 8 4 3 9 15 9 5 6 7 11 33 9 13 99 56 9 13 10 4 9 7 5 6 6 8 9 5 7 4 2 4 6 5 9 16 59 12 4 7 14 9 23 57 21 6 38 7 4 4 7 17 6 8 5 7 9 13 11 6 7 14 16 5 5 32 68 36 16 3 3 10 6 2 2 6 5 4 14 34 21 19 31 22 8 1 4 9 6 11 16 15 15 0 74 5 7 8 5 9 7 11 55 48 8 7 6 8 13 6 7 10 6 6 5 4 4 6 4 5 100 5 11 9 15 14 25 17 12 14 53 7 8 28 71 8 3 7 30 47 21 5 6 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 3 2 4 4 2 2 4 4 3 3 4 4 2 3 5 4 5 4 6 5 4 6 7 6 12 5 5 12 6 8 19 44 12 17 47 46 36 6 9 5 5 4 7 4 3 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 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 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 89 89 t 1H J 16 | 87 87 ddd 1H J 14 21 37 | 83 82 dt 1H J 19 82 | 75 74 m 2H | 71 71 dt 1H J 8 83 | 48 48 d 2H J 9 | 45 44 q 2H J 64 | 39 38 s 2H | 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.
CCC(Cl)n1c(C)cc2cccc(Cl)c21
ir: 1 1 1 1 1 0 0 0 1 0 0 1 1 1 2 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 15 1 1 1 1 1 1 2 1 2 5 36 100 1 3 2 2 3 1 2 1 0 2 3 2 0 1 1 0 4 1 2 4 3 1 1 1 1 2 2 1 0 1 1 2 2 3 1 0 0 1 1 0 0 1 5 0 2 1 1 0 1 2 3 1 4 4 5 33 8 8 3 2 3 3 2 2 2 2 3 2 2 2 2 1 1 1 5 1 2 1 1 1 1 1 1 0 1 1 2 2 3 3 9 2 23 9 1 0 1 1 0 0 1 1 2 1 1 0 0 1 1 1 0 5 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 2 7 6 2 8 20 29 18 7 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 76 75 m 1H | 74 73 m 2H | 59 59 d 1H J 23 | 55 54 tq 1H J 15 31 | 23 23 s 3H | 20 20 dqd 1H J 29 59 117 | 18 17 m 1H | 10 10 td 3H J 15 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[S@@](=O)N[C@](C)(c1nc(Br)ccc1F)C(F)(F)C(C)(C)O
ir: 22 12 18 2 5 3 4 3 2 1 4 3 1 4 5 4 1 1 3 2 3 5 8 2 2 6 4 6 10 6 13 15 9 25 5 7 2 4 14 5 6 13 9 13 6 8 3 4 2 2 3 3 15 30 20 17 11 7 5 3 4 4 3 3 4 5 2 6 17 23 6 2 7 3 2 3 16 23 15 25 18 3 14 2 13 28 23 3 53 18 6 14 3 15 20 23 18 3 12 3 3 3 31 4 7 5 2 2 2 1 3 2 12 11 16 29 16 12 67 17 29 19 15 17 20 5 11 4 1 6 6 4 6 10 38 13 7 4 1 1 1 1 1 2 1 3 1 2 1 14 3 1 1 1 1 1 2 1 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 2 2 1 6 7 19 8 13 13 21 5 6 2 3 3 2 100 6 2 1 2 1 1 1 2 2 1 4 51 28 4 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 67 102 | 74 73 dd 1H J 44 66 | 47 46 t 1H J 27 | 39 39 t 1H J 33 | 20 19 t 3H J 33 | 14 13 t 3H J 33 | 13 12 t 3H J 33 | 13 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
ir: 4 5 5 9 6 4 4 4 3 5 6 4 3 4 7 5 5 5 4 4 4 4 4 4 4 6 9 8 5 8 5 4 5 4 4 4 5 7 4 4 5 4 6 19 41 6 4 4 5 6 14 9 7 35 22 48 49 14 9 9 13 14 22 46 20 12 10 9 16 7 8 10 35 7 6 34 9 7 10 8 6 5 5 5 5 16 5 5 6 4 5 7 11 7 7 7 4 5 5 4 4 4 4 4 4 6 6 5 4 4 5 6 6 9 5 17 14 7 6 7 4 21 18 6 6 13 6 7 6 9 12 6 5 17 17 13 6 6 5 6 4 13 97 17 64 0 2 12 21 14 66 29 13 72 12 10 15 31 6 6 5 1 4 15 6 100 7 1 3 5 4 3 4 4 3 3 3 4 3 3 3 4 4 3 3 3 3 4 4 4 3 3 3 3 3 4 4 3 4 4 4 3 4 3 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 3 4 4 4 3 4 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 3 3 3 4 3 3 3 3 3 4 3 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 5 5 4 5 5 7 7 11 12 18 31 97 56 16 10 7 11 11 6 4 4 5 3 3 4 4 4 4 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 82 82 dd 1H J 14 98 | 80 80 dd 1H J 16 75 | 79 78 td 1H J 13 72 | 75 74 ddd 1H J 13 68 97 | 71 70 m 2H | 69 68 m 2H | 44 43 q 2H J 71 | 38 38 s 3H | 37 37 s 3H | 14 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2sccc2N)s1
ir: 11 6 0 6 9 5 1 6 10 4 2 6 8 4 2 8 12 7 4 6 8 4 4 12 10 10 9 14 11 4 3 9 7 3 5 11 8 4 5 13 7 4 5 10 11 22 25 21 10 4 9 16 11 9 11 12 13 5 9 11 5 1 6 10 9 5 9 15 10 29 24 29 12 11 11 9 5 5 8 8 4 3 7 7 3 3 8 17 4 12 11 9 4 5 10 13 17 39 11 8 2 6 15 12 5 5 9 6 2 5 9 5 1 5 10 12 2 11 23 10 12 11 10 7 5 6 40 24 30 16 19 46 16 12 11 6 5 16 19 9 8 21 8 3 3 8 7 3 4 9 8 2 17 25 23 2 4 8 6 1 4 8 5 1 4 8 5 1 4 8 4 0 4 8 4 1 5 8 4 1 5 8 4 1 5 7 4 2 6 7 3 2 6 7 3 2 6 7 3 3 6 6 2 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 1 4 8 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 8 4 2 5 7 4 2 5 7 3 2 6 7 3 2 6 6 3 2 6 6 3 3 7 6 2 3 7 6 2 3 7 7 4 5 7 6 2 5 10 8 6 7 10 5 4 15 26 16 23 9 17 71 100 66 13 6 3 6 8 6 7 7 11 8 5 7 16 16 13 11 10 40 5 17 9 3 4 6 6 3 3 6 6 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 2 4 7 4 2 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 3 6 5 2 4 6 5 2 4 7 5 2 4 7 5 2 4 7 4 2; 1HNMR: 74 73 d 1H J 9 | 72 72 d 1H J 49 | 66 65 d 1H J 49 | 34 34 s 2H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1cc(=O)[nH]nc1-2
ir: 9 7 5 4 4 6 7 10 7 5 2 8 11 7 6 6 3 8 6 16 17 6 3 7 6 3 2 3 4 3 2 3 3 4 7 7 10 7 7 9 4 2 3 3 3 1 3 6 34 28 20 3 5 6 14 30 4 1 4 7 8 6 3 6 8 16 16 41 33 16 9 5 4 3 3 5 3 3 5 20 18 8 8 12 8 8 5 4 16 22 30 30 6 6 6 5 7 11 19 40 11 6 3 9 16 9 10 5 2 9 19 14 4 5 3 7 17 10 14 4 6 6 9 6 5 6 5 6 56 29 12 6 5 6 12 29 15 5 4 3 2 26 5 2 2 5 8 7 19 6 6 7 10 17 31 13 3 3 3 2 2 4 45 0 7 100 4 2 3 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 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 4 4 6 5 6 7 4 4 5 4 3 7 17 20 18 17 55 25 24 6 8 4 4 3 3 3 2 3 3 3 3 3 3 2 2 2 4 7 8 10 45 39 28 7 7 2 2 4 3 1 2 3 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 76 76 d 1H J 85 | 70 70 dd 1H J 22 86 | 68 67 dt 1H J 8 19 | 66 65 t 1H J 9 | 41 40 t 2H J 63 | 32 31 m 2H | 30 29 m 2H | 29 27 m 3H | 27 25 m 2H | 19 16 m 6H | 16 15 ddt 1H J 51 65 116 | 11 10 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(N2CCC(O)CC2)nc2ccccc12
ir: 4 4 0 3 4 4 3 6 3 1 1 5 8 7 7 5 5 6 4 11 12 17 82 22 14 14 23 13 5 3 1 4 5 3 4 6 3 5 8 7 9 22 5 30 59 7 9 13 11 3 2 3 7 9 12 4 3 3 2 2 2 4 3 3 4 11 8 9 7 2 4 4 2 5 9 6 7 8 100 6 2 8 7 11 9 8 15 6 15 8 19 5 4 4 5 4 4 12 7 10 8 6 6 4 1 3 7 3 1 2 4 1 1 3 6 4 7 5 12 2 3 5 7 6 5 7 4 5 2 7 4 4 2 11 8 11 6 5 12 6 3 13 56 13 12 15 43 27 18 33 69 10 2 2 3 8 11 2 1 1 1 2 7 3 8 10 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 2 2 3 1 1 1 3 1 3 9 5 13 9 30 43 27 5 1 3 5 6 6 30 90 19 6 2 1 2 2 1 1 2 4 4 9 13 25 13 6 2 3 3 1 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 84 83 dd 1H J 13 85 | 81 80 dd 1H J 15 72 | 76 75 m 3H | 74 73 s 1H | 71 71 dq 1H J 9 82 | 39 38 h 1H J 49 | 38 37 ddd 2H J 68 94 139 | 36 35 ddd 2H J 66 93 139 | 30 30 d 1H J 48 | 24 23 s 2H | 22 22 d 3H J 9 | 22 21 dddd 2H J 49 67 93 128 | 19 18 dddd 2H J 48 67 93 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.