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C=CC(=O)Cc1cccc(NC(=O)OCc2ccccc2)c1
ir: 9 6 6 2 1 4 3 3 4 10 3 2 2 3 3 1 1 2 1 3 1 3 2 1 1 4 4 5 14 25 18 23 19 11 6 6 5 3 4 18 32 10 6 1 6 9 16 6 2 11 21 3 3 3 8 4 2 3 1 1 1 2 1 1 2 3 3 23 22 4 5 3 3 8 8 3 2 1 2 1 2 2 3 5 4 1 2 3 3 16 5 5 3 1 1 1 3 3 1 3 2 3 0 10 6 11 3 2 2 1 1 1 2 1 1 1 2 1 1 3 5 4 5 2 2 1 3 7 2 1 1 1 3 3 2 8 3 1 1 7 7 6 4 68 23 30 7 5 8 100 11 1 3 22 4 4 11 3 3 2 6 2 20 2 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 16 12 5 5 14 11 24 32 18 8 3 3 6 9 4 2 2 1 1 1 1 1 1 1 1 1 1 1 2 8 8 31 25 5 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 ddd 1H J 11 21 81 | 75 75 tt 1H J 8 20 | 74 73 m 6H | 72 72 s 1H | 72 71 ddq 1H J 10 20 77 | 64 64 ddt 1H J 9 110 165 | 60 59 dd 1H J 24 163 | 58 57 dd 1H J 24 110 | 52 51 s 2H | 37 36 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)nc(Oc2ccc(Br)c(F)c2)c1
ir: 1 1 1 1 7 1 1 1 1 2 4 5 6 5 32 9 5 2 2 1 0 1 1 1 1 1 1 1 1 2 2 10 11 10 5 5 2 5 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 5 29 8 2 2 2 30 3 10 13 19 9 22 23 25 9 5 2 8 69 13 6 3 3 1 1 1 1 2 1 1 1 2 1 2 3 4 2 4 11 20 28 7 2 3 1 1 1 2 1 3 10 2 1 1 1 1 2 4 3 2 1 2 2 2 1 1 2 2 3 7 15 8 11 7 2 12 9 5 2 1 1 1 1 1 4 6 1 1 3 30 6 3 5 24 100 3 3 3 4 14 8 2 2 2 3 1 45 10 2 3 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 3 2 3 4 1 2 2 5 3 1 3 8 4 3 19 11 67 70 50 1 4 5 5 4 2 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 dd 1H J 48 97 | 73 72 dd 1H J 22 97 | 68 68 dd 1H J 22 121 | 64 64 s 2H | 24 24 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN(C(=O)c1cc(Cl)cc(OCCN(C(=O)OC(C)(C)C)c2ccncc2)c1)C(C)C
ir: 10 25 30 22 11 8 10 5 7 16 12 15 14 9 7 20 15 16 22 10 5 7 6 5 7 16 14 25 13 31 8 2 5 8 10 6 6 11 25 59 12 18 8 12 10 9 5 1 4 5 3 0 2 5 5 1 5 10 4 2 4 8 9 15 27 37 62 14 28 29 20 55 43 13 9 6 6 5 8 10 11 8 5 5 13 6 1 1 4 6 1 4 10 20 4 3 5 7 4 6 7 6 4 4 6 7 8 11 34 25 12 25 9 7 4 7 9 9 8 9 7 13 28 22 20 16 11 17 16 22 13 12 6 17 3 10 10 3 3 6 4 3 3 5 7 16 32 62 23 9 19 93 14 6 4 5 3 4 5 37 67 36 6 6 3 1 2 4 2 0 3 4 3 0 2 4 2 0 3 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 7 9 4 5 5 10 3 4 6 6 3 7 10 9 6 50 28 22 46 100 43 24 9 5 3 3 3 3 4 2 2 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 84 m 2H | 76 76 t 1H J 21 | 73 73 m 2H | 72 71 t 1H J 21 | 69 69 t 1H J 22 | 44 44 t 2H J 63 | 41 41 t 2H J 63 | 40 39 p 1H J 69 | 36 36 s 4H | 33 33 s 3H | 14 14 s 8H | 13 13 d 7H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)c1cn2cc(Br)ccc2n1
ir: 8 9 16 6 1 1 4 1 0 1 1 1 3 2 3 2 1 1 1 1 1 7 2 4 1 9 3 14 1 2 1 1 2 11 3 1 1 1 3 6 48 40 11 2 3 3 4 2 15 8 3 2 1 1 2 2 1 2 4 3 50 53 44 17 6 7 24 8 38 14 4 4 10 5 5 4 2 5 1 1 1 1 1 22 25 29 17 3 2 3 2 4 1 1 1 1 1 1 0 5 37 9 100 11 5 4 4 4 6 4 4 2 4 3 0 1 3 4 2 16 18 12 6 10 77 26 13 5 0 6 22 27 24 6 3 0 0 2 2 1 0 1 1 1 1 3 11 16 13 15 6 4 1 2 2 3 2 9 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 3 3 4 4 7 5 9 8 1 4 11 27 44 48 10 29 7 5 6 5 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 1H | 83 83 s 1H | 76 75 d 1H J 88 | 75 75 dd 1H J 13 88 | 34 33 p 1H J 74 | 12 12 d 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccc(C(=O)NCCCc2ccncc2)s1
ir: 2 2 0 1 2 1 0 1 2 1 1 6 6 2 1 1 2 1 1 3 6 2 5 4 3 3 4 4 4 1 2 3 4 6 1 2 5 2 2 32 48 27 8 9 10 2 2 2 1 1 2 3 2 1 1 2 1 1 1 1 4 3 8 12 19 15 23 16 3 2 3 3 4 6 4 2 1 1 2 2 1 1 2 2 1 2 6 14 8 42 4 2 0 1 2 2 1 3 4 2 1 1 2 1 0 1 2 1 0 2 24 10 0 2 3 5 2 3 2 3 4 6 7 14 5 3 3 1 1 1 1 3 9 79 41 30 5 2 3 1 1 8 54 8 3 6 11 28 24 12 18 10 3 2 2 3 2 2 2 2 3 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 2 1 2 2 1 1 3 4 3 2 10 13 8 10 8 4 3 2 2 2 2 1 2 3 9 50 49 14 6 4 4 6 13 100 76 93 18 17 15 5 2 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 2 2 3 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 t 1H J 37 | 85 85 m 2H | 78 77 t 1H J 43 | 77 76 m 2H | 71 70 dq 2H J 9 37 | 43 43 d 2H J 37 | 34 33 td 2H J 43 55 | 28 27 tt 2H J 9 79 | 20 19 tt 2H J 56 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(CCN)C(F)(F)F
ir: 1 3 3 1 1 2 3 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 0 1 1 0 1 2 1 2 2 2 3 4 1 2 2 3 7 7 32 35 27 5 2 2 3 21 19 7 2 1 3 3 1 1 4 7 2 3 6 16 13 12 32 55 10 6 4 8 14 24 31 10 13 7 9 11 6 13 27 35 21 5 7 8 4 6 13 9 5 3 2 14 15 9 3 4 1 1 1 2 4 3 1 5 7 2 2 4 2 4 2 4 4 4 4 5 3 6 12 30 22 19 24 15 20 8 3 1 2 2 2 1 2 1 2 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 1 2 3 4 4 4 3 3 3 1 4 4 10 7 5 3 1 2 3 2 6 5 21 48 26 6 3 4 5 60 65 35 7 7 4 8 2 86 100 9 6 4 2 3 3 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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; 1HNMR: 41 40 q 1H J 33 | 30 29 dtt 1H J 48 56 126 | 29 28 dtt 1H J 49 58 126 | 25 25 t 2H J 56 | 22 21 dtq 1H J 23 47 141 | 20 19 dtq 1H J 24 47 142 | 13 12 q 3H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)CNC(=O)OC(C)(C)C
ir: 15 45 8 4 5 5 3 2 4 6 6 3 4 2 5 2 2 9 5 10 9 6 7 3 4 7 5 14 4 16 13 52 60 67 21 10 5 10 5 6 5 2 20 4 7 5 18 11 3 4 3 2 3 6 6 38 6 5 12 14 3 8 5 2 3 8 2 2 14 13 4 4 18 17 3 1 3 3 4 3 2 2 3 1 4 4 1 2 4 5 6 4 3 5 3 3 6 5 3 24 10 6 3 2 2 2 2 3 3 4 4 3 5 3 2 3 8 12 10 16 13 9 10 12 6 30 51 21 22 18 20 18 16 7 20 2 3 3 4 10 50 11 6 5 3 23 92 56 14 54 9 10 24 4 3 10 3 1 2 3 11 0 1 2 9 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 2 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 3 3 5 2 3 3 3 8 2 3 3 3 4 6 12 79 5 20 100 27 9 8 2 2 5 2 1 2 2 2 2 3 4 2 0 2 2 1 2 2 3 4 32 75 21 10 3 4 2 3 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 m 2H | 75 74 t 1H J 79 | 73 73 m 3H | 68 68 m 2H | 57 56 t 1H J 56 | 45 44 d 2H J 9 | 41 40 d 2H J 55 | 39 38 m 4H | 32 32 m 4H | 29 29 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(CO)c4)c(F)c3)C(=O)O2)nn1
ir: 8 3 4 4 9 3 5 5 8 3 6 4 1 2 3 3 2 3 2 1 1 2 2 3 2 5 7 4 1 2 1 3 3 12 14 3 7 15 7 3 1 6 2 2 2 1 5 2 3 5 5 2 9 9 48 21 17 8 8 11 9 3 5 5 7 6 9 21 14 19 4 2 2 13 7 10 25 6 10 10 15 16 17 23 21 10 26 31 14 9 7 18 7 6 11 10 8 7 8 40 10 4 7 9 14 31 46 24 33 10 5 6 4 15 0 4 9 7 7 5 6 8 4 3 5 10 4 9 5 3 2 2 2 1 1 1 2 2 2 2 5 1 3 4 5 19 7 2 1 3 24 11 8 5 2 1 1 0 1 16 2 4 13 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 1 0 1 0 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 4 3 2 3 9 5 2 11 5 6 5 15 16 12 58 19 46 24 100 56 85 8 11 3 1 7 38 12 4 3 3 2 2 2 1 1 0 1 2 1 2 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 18 | 78 77 dd 1H J 48 73 | 76 76 dd 1H J 22 121 | 75 75 tt 2H J 8 15 | 74 74 dd 1H J 20 73 | 53 52 tdd 1H J 20 38 49 | 49 48 ddd 1H J 8 50 144 | 47 46 dd 2H J 9 51 | 46 45 m 1H | 43 43 dd 1H J 20 117 | 41 40 dd 1H J 37 117 | 32 31 t 1H J 52 | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC1CCCCc2c1c1cc(F)ccc1n2Cc1ccc(Cl)cc1
ir: 2 4 2 2 3 3 5 11 19 23 15 13 18 13 7 8 8 5 7 41 61 100 60 38 11 9 8 2 1 3 4 0 3 3 3 6 2 2 4 2 3 3 4 6 3 6 6 12 9 19 34 13 15 19 98 21 8 7 7 19 3 4 2 5 50 16 13 2 5 4 2 2 2 3 2 12 14 26 69 43 34 11 3 5 11 5 8 4 5 6 3 2 7 20 9 7 7 9 10 8 5 3 1 4 7 11 9 5 6 2 5 4 12 12 9 13 6 8 7 8 17 17 13 29 9 12 7 8 4 3 1 3 2 5 3 4 4 1 4 2 7 20 25 68 28 54 16 27 18 10 6 4 20 9 12 7 3 1 1 1 1 0 1 8 2 1 1 1 1 0 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 2 2 1 1 2 2 1 3 2 5 3 6 6 2 3 5 6 5 3 42 27 34 26 51 30 15 12 4 3 2 3 34 17 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 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 0 0 0 1; 1HNMR: 75 74 dd 1H J 27 122 | 73 72 dt 2H J 10 77 | 72 72 dd 1H J 46 80 | 71 71 m 2H | 71 70 ddd 1H J 26 81 105 | 54 54 t 2H J 10 | 32 31 tt 1H J 67 84 | 29 28 m 1H | 28 27 m 1H | 27 26 m 2H | 20 19 dtd 1H J 69 84 130 | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(NC(=O)CC#N)cc1
ir: 3 2 3 4 4 3 3 4 4 5 9 18 6 4 5 19 16 4 2 3 1 1 1 2 3 3 3 7 15 11 23 13 13 19 7 11 11 7 7 5 5 3 1 2 2 2 3 10 4 3 4 6 9 17 16 24 21 46 17 10 3 7 11 2 2 1 1 2 1 1 3 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 6 2 2 3 3 2 3 3 30 14 3 1 0 2 3 2 3 8 4 2 2 2 5 5 4 4 3 2 4 3 3 1 3 3 3 6 9 3 3 1 0 1 2 0 2 3 7 30 6 28 62 16 9 6 7 11 100 34 18 9 2 2 1 1 2 3 2 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 4 3 2 1 2 1 2 3 5 10 11 10 17 10 31 6 3 5 5 2 1 1 1 1 1 1 1 1 1 2 1 3 5 5 4 6 86 51 26 5 4 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 96 95 s 1H | 75 75 m 2H | 73 72 m 2H | 37 37 s 2H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(Cc1ccc(CNC2CCCc3cccnc32)cc1)Cc1ccccn1
ir: 4 3 3 4 12 11 7 4 8 8 21 10 3 3 4 2 1 2 3 2 4 3 4 8 6 7 6 6 7 6 4 4 5 8 15 9 6 21 18 8 10 10 5 10 7 7 13 9 15 7 7 3 6 7 54 23 18 17 6 7 8 1 12 4 5 3 4 2 3 0 8 4 6 4 2 8 5 3 3 8 6 3 3 3 7 7 3 4 5 14 6 3 4 4 6 13 4 3 4 3 2 4 1 6 4 6 14 22 21 9 4 3 7 4 9 9 15 6 9 19 18 7 12 20 8 9 6 7 9 5 10 18 13 9 16 28 44 16 3 21 5 5 3 4 3 4 6 15 7 5 10 32 5 8 9 5 6 14 2 4 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 3 3 3 3 4 4 3 4 8 10 11 46 34 47 5 4 5 2 3 1 3 3 2 2 2 1 2 2 3 2 4 18 100 49 7 3 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 dd 1H J 17 41 | 85 85 dd 1H J 20 48 | 77 77 td 1H J 17 76 | 76 75 ddt 1H J 9 18 81 | 73 72 m 8H | 46 45 m 5H | 41 40 ddt 1H J 9 59 139 | 40 39 ddt 1H J 8 59 140 | 29 27 m 3H | 22 21 m 1H | 21 18 m 3H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CNC(=O)OC(C)(C)C
ir: 9 12 5 5 9 7 2 9 11 8 3 6 9 11 5 6 8 7 8 3 8 6 6 5 7 3 2 17 42 33 13 19 14 11 6 5 9 6 3 5 3 2 6 6 3 1 2 6 3 1 2 4 2 1 3 5 4 1 5 6 3 2 4 5 2 1 3 4 2 1 4 6 5 3 4 5 2 2 4 4 2 2 4 4 2 4 5 9 17 16 12 25 31 27 18 16 8 7 12 6 2 2 4 3 1 2 6 6 3 4 7 4 3 7 6 5 2 5 12 6 11 8 17 8 9 15 21 11 9 11 12 12 2 3 5 2 1 3 4 2 2 9 8 41 49 13 5 4 10 57 35 2 2 3 3 0 2 5 3 1 1 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 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 4 2 3 4 3 1 3 5 3 2 7 14 15 5 5 5 3 2 5 11 25 20 20 9 4 4 5 4 2 1 3 3 2 1 3 4 2 5 35 100 53 14 6 8 2 2 2 2 1 2 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 2 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: 54 54 t 1H J 66 | 39 38 qdt 1H J 43 51 64 | 34 34 ddd 1H J 43 65 132 | 32 31 ddd 1H J 43 65 132 | 28 28 d 1H J 51 | 14 14 s 8H | 11 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(n3cccc3)c3ccccc32)cc1
ir: 3 3 3 4 4 3 4 4 3 2 3 3 6 5 6 5 9 3 2 4 3 2 3 4 3 5 2 5 4 7 4 8 5 8 7 12 8 18 37 34 20 13 31 56 13 7 3 5 4 5 5 3 3 1 3 6 5 38 3 4 2 2 2 3 2 2 2 2 4 6 2 2 2 3 4 8 3 5 4 2 2 2 4 4 4 3 3 8 8 18 12 6 4 2 7 2 2 3 3 3 3 2 9 8 10 4 7 5 2 2 3 5 0 3 4 4 3 5 5 3 3 3 3 4 4 9 15 8 18 2 5 3 2 3 3 1 13 15 8 5 16 6 15 47 22 11 25 18 16 13 29 17 18 35 8 4 4 4 3 0 4 4 2 56 3 0 2 2 2 1 2 2 2 2 1 1 2 2 2 2 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 3 2 2 2 3 3 3 2 2 3 2 2 4 3 7 6 42 64 33 38 19 100 26 7 6 5 2 2 2 2 2 2 2 2 2 2 2 2 2 4 19 44 7 4 4 3 2 1 2 2 1 2 2 2 2 1 2 1 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 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 89 88 s 1H | 79 78 m 2H | 77 76 dd 1H J 16 80 | 77 76 m 2H | 74 73 td 1H J 17 77 | 73 72 m 5H | 72 71 td 1H J 19 75 | 69 68 m 2H | 59 58 m 2H | 49 48 m 1H | 40 39 m 1H | 39 38 dt 1H J 57 124 | 24 24 d 3H J 7 | 22 21 dtd 1H J 51 77 128 | 21 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2cc(Br)ccc2CC12Cc1cccc3cccc(c13)C2
ir: 0 1 2 1 0 1 4 50 2 2 10 2 1 1 1 1 0 1 6 0 0 1 1 2 4 1 1 1 1 1 1 1 0 2 1 0 1 13 7 1 3 1 1 1 7 42 38 2 1 2 3 13 6 0 2 2 5 26 39 6 1 5 1 0 1 1 1 0 2 5 2 3 1 1 0 0 1 1 1 6 2 2 13 2 2 5 7 4 9 2 2 7 81 8 5 9 4 2 18 13 4 5 1 5 3 4 31 3 8 11 1 2 2 1 1 7 7 3 1 1 6 4 11 23 3 2 1 4 3 2 1 6 8 6 2 7 29 7 19 6 4 1 1 2 2 6 24 32 45 13 8 3 1 2 1 1 8 1 1 2 1 1 1 1 2 2 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 5 5 11 2 2 5 5 5 6 18 13 78 100 39 17 6 9 2 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 78 77 m 3H | 75 74 m 3H | 72 72 dp 2H J 8 70 | 72 71 dt 1H J 9 79 | 33 32 ddd 2H J 8 57 143 | 31 30 ddd 2H J 7 55 143 | 29 29 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncnc(Cn2cc(C(=O)NCCOC(F)(F)F)c3ncccc32)c1C
ir: 1 1 1 2 1 1 1 1 0 1 2 1 1 1 2 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 4 1 2 3 6 7 1 5 5 7 8 4 9 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 2 2 2 2 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 2 5 4 2 3 3 16 4 8 1 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 1 2 2 2 1 4 3 1 1 1 2 2 12 5 0 3 2 3 5 1 1 3 2 1 1 1 4 6 16 9 10 3 6 13 15 3 3 100 21 27 3 5 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 4 6 2 5 4 2 3 5 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 4 11 5 5 6 6 3 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 87 87 dd 1H J 21 37 | 83 83 s 1H | 81 81 d 1H J 9 | 79 78 m 2H | 73 73 dd 1H J 37 64 | 54 54 d 2H J 9 | 40 39 s 3H | 39 38 m 2H | 37 36 dt 2H J 32 43 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOc1cc(CCl)c(OCCCCCC)cc1CO
ir: 11 5 4 5 6 13 6 5 6 3 2 4 1 1 1 2 1 1 1 1 1 1 1 1 4 2 4 2 2 2 3 3 6 7 5 2 3 3 2 4 6 7 3 5 3 7 2 2 2 2 2 3 4 1 1 1 2 4 1 1 2 2 3 7 2 2 5 45 22 21 19 7 2 2 2 3 1 2 17 7 2 4 5 13 15 34 100 57 33 9 8 32 16 24 5 3 3 2 1 1 2 2 6 4 5 10 12 18 13 10 4 4 4 7 3 5 3 8 15 7 9 2 5 4 1 3 2 4 1 2 7 9 1 1 0 0 0 1 0 1 2 5 2 1 1 0 0 0 0 1 1 1 6 10 25 11 7 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 1 1 2 2 2 3 5 6 6 7 1 3 1 2 1 5 33 42 13 20 49 4 3 2 3 3 6 10 77 24 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 68 68 t 1H J 9 | 68 68 d 1H J 9 | 47 46 d 2H J 10 | 46 46 dd 2H J 8 58 | 39 38 m 4H | 30 29 t 1H J 58 | 18 17 tt 4H J 61 71 | 15 14 m 4H | 14 12 m 9H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cccc(Nc2ncnc(Cl)n2)c1
ir: 6 7 7 4 4 7 7 2 1 2 3 3 7 14 23 9 30 31 27 30 9 5 5 4 3 2 3 3 3 2 6 10 3 4 4 2 3 3 3 3 2 1 3 2 2 1 4 4 10 1 2 6 6 3 8 88 66 57 33 1 4 4 2 4 14 16 3 7 9 8 2 0 3 4 7 4 7 4 6 2 17 19 25 16 10 37 100 24 59 23 6 9 8 14 5 4 4 4 11 5 8 7 4 3 4 8 3 5 2 2 4 18 10 6 12 10 16 17 25 28 9 6 7 4 5 3 4 13 9 2 3 2 2 2 3 3 8 5 7 2 5 7 4 52 1 4 3 8 16 14 3 3 3 18 14 81 12 1 1 2 2 2 22 13 2 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 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 2 1 1 2 3 2 1 2 3 5 8 16 5 2 1 2 2 1 1 1 2 1 1 2 2 2 2 4 11 72 23 7 3 15 30 63 38 31 5 6 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 s 1H | 85 85 s 1H | 77 76 m 2H | 75 75 t 1H J 79 | 73 72 ddd 1H J 12 22 77 | 63 63 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
ir: 3 4 3 6 5 5 3 4 7 4 1 5 4 2 4 3 5 12 5 19 10 10 7 22 23 11 18 16 18 14 15 9 13 9 24 14 13 22 21 22 19 7 9 15 13 9 18 8 10 10 6 7 5 3 3 4 2 1 2 4 2 1 2 4 3 1 3 5 3 3 3 2 2 2 2 3 2 3 3 7 5 3 6 4 1 2 7 3 5 4 7 8 9 6 4 3 3 3 4 3 1 2 3 3 2 3 4 4 2 2 4 7 4 4 8 4 5 4 5 3 3 3 4 3 2 3 5 4 2 3 6 7 8 23 47 33 7 6 4 8 29 100 17 16 8 3 9 15 7 2 5 5 36 8 33 6 17 43 61 33 7 5 3 0 4 3 2 0 2 3 1 0 1 3 2 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 1 2 2 1 0 2 3 1 1 2 2 1 1 2 3 1 1 2 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 2 3 3 1 3 4 4 3 3 5 5 4 7 11 11 13 20 18 17 7 4 3 2 2 2 2 2 2 2 3 2 2 3 6 21 18 7 5 13 17 35 32 40 12 5 7 24 66 90 13 11 6 3 3 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 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 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 95 94 d 1H J 75 | 93 92 d 1H J 75 | 74 73 ttd 2H J 9 19 40 | 73 73 m 3H | 71 71 s 2H | 49 48 m 2H | 46 45 m 1H | 38 37 m 2H | 36 35 dd 1H J 44 106 | 21 20 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCOC(=O)CC#N
ir: 6 4 7 7 8 5 4 5 8 7 14 34 30 14 9 5 6 3 1 4 2 2 2 2 1 1 1 1 1 1 3 5 5 3 1 1 1 1 1 2 1 1 1 2 5 1 2 3 4 2 3 5 4 4 6 11 15 16 5 4 5 3 7 7 6 18 20 5 17 21 11 6 8 11 15 8 8 6 10 3 1 1 1 1 1 1 1 1 1 1 1 4 12 5 3 3 3 9 6 9 15 5 3 2 1 2 3 1 1 2 3 3 1 1 5 7 17 21 11 21 26 14 6 7 12 24 17 7 9 4 4 4 4 7 7 7 10 4 3 3 7 3 11 69 20 100 2 5 3 2 2 1 1 1 1 3 12 35 15 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 9 14 7 4 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 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 1 1 1 1 0 1 1 1 1 1 1 2 5 3 4 4 9 4 4 9 3 5 10 6 14 17 58 50 13 25 13 8 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 53 52 tp 1H J 17 50 | 47 46 ddq 2H J 10 20 51 | 36 36 s 2H | 18 17 dh 3H J 12 23 | 17 17 hept 3H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
ir: 2 3 5 6 6 4 4 6 13 16 16 10 3 4 6 3 2 7 4 6 4 4 4 5 5 5 4 2 2 4 3 2 3 3 3 3 2 7 4 2 3 4 4 3 3 4 4 5 5 16 10 10 18 6 4 5 3 4 4 3 3 4 3 4 4 4 3 9 14 5 6 9 5 4 5 6 7 5 3 3 3 3 3 4 4 5 7 5 11 22 20 27 8 5 4 3 4 3 6 4 4 3 4 5 3 3 4 3 3 3 2 3 3 3 2 3 3 3 3 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 4 2 3 4 4 0 14 4 1 4 12 3 5 6 79 7 3 3 3 3 3 2 2 3 2 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 4 3 4 6 4 4 4 4 3 2 4 7 100 23 11 4 3 3 3 2 3 3 2 3 3 3 5 8 24 13 9 5 3 2 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 3 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 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 82 81 s 1H | 75 75 s 1H | 61 60 dt 1H J 11 53 | 56 55 d 1H J 53 | 54 53 t 1H J 45 | 52 52 d 1H J 46 | 47 46 qd 1H J 8 53 | 42 41 ddddd 1H J 8 18 26 46 64 | 40 40 qt 1H J 11 34 | 39 38 dddd 1H J 17 35 44 121 | 36 35 dddd 1H J 17 35 44 121 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1
ir: 1 2 1 1 2 3 7 4 11 7 14 18 19 19 14 7 13 15 13 59 49 99 100 28 27 18 11 4 5 4 3 1 3 6 6 7 7 8 28 33 15 15 4 8 4 3 6 1 5 4 3 3 8 9 14 22 9 0 2 1 1 1 8 3 3 3 3 2 2 5 8 4 3 3 7 13 27 62 25 30 23 7 6 5 22 20 6 11 6 8 2 2 1 2 3 3 7 3 1 2 4 2 1 1 1 1 1 1 2 2 2 6 2 15 20 38 9 6 13 11 6 5 6 5 2 2 4 3 6 3 2 6 6 82 8 4 6 3 1 2 2 9 18 27 14 12 2 8 7 8 35 58 27 5 2 4 2 1 1 2 16 3 1 1 1 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 0 0 1 1 0 0 1 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 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 2 2 2 2 2 2 4 2 1 1 2 2 4 8 23 9 24 15 9 2 2 2 2 3 9 33 47 42 20 2 2 2 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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: 88 88 s 1H | 79 79 m 2H | 71 70 m 2H | 42 42 t 2H J 63 | 27 27 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(=O)O
ir: 1 2 1 2 4 3 4 6 0 3 1 4 4 8 5 8 8 7 2 6 15 14 12 29 20 9 6 9 15 9 19 14 16 14 12 14 13 18 40 40 20 35 20 32 14 8 9 18 14 4 2 3 8 16 19 18 16 3 3 2 3 1 2 2 3 4 4 5 8 4 3 8 1 1 5 5 1 7 15 8 5 5 7 4 18 5 9 10 8 15 34 8 10 4 3 4 2 4 3 2 2 1 4 6 1 2 1 3 4 1 1 1 6 2 3 2 12 5 7 8 4 11 10 17 8 3 3 5 4 9 5 1 1 2 3 2 10 7 4 22 63 30 12 36 93 47 46 71 4 23 14 5 6 6 3 5 2 1 1 6 5 4 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 2 2 2 1 1 1 1 2 3 4 11 18 16 11 100 41 12 9 4 19 23 24 24 45 23 9 4 1 1 2 1 3 5 1 6 6 10 21 13 25 6 5 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 17 80 | 76 75 t 1H J 57 | 74 73 td 1H J 16 77 | 73 72 m 3H | 72 71 m 1H | 70 69 ddd 1H J 12 22 79 | 69 69 tt 1H J 9 22 | 69 68 m 2H | 67 66 d 1H J 19 | 45 45 dt 2H J 9 57 | 24 24 d 3H J 7 | 22 22 s 3H | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(Cl)c1CO
ir: 0 4 7 3 1 3 3 2 1 3 4 11 24 7 9 29 12 11 4 2 1 2 2 1 1 4 2 3 1 2 2 1 1 1 3 2 10 29 14 11 2 3 2 16 10 6 8 4 2 3 2 0 1 3 1 0 1 3 2 0 2 5 8 6 5 4 2 2 4 5 4 4 11 25 9 12 8 9 2 1 6 5 4 1 9 14 100 48 67 4 21 8 13 7 4 10 1 4 5 25 14 30 5 3 3 2 2 1 2 1 1 1 2 2 4 4 13 18 15 6 6 2 3 3 4 7 2 9 5 3 1 2 2 1 1 1 2 1 3 3 3 0 0 1 5 7 8 5 6 8 13 6 4 0 1 3 7 13 12 10 2 0 2 3 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 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 3 4 2 1 1 3 3 2 3 4 3 2 3 4 7 3 6 3 7 12 10 3 3 3 5 10 45 42 32 10 2 0 3 3 1 1 2 2 1 1 2 2 2 2 4 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 82 d 1H J 49 | 71 71 m 1H | 49 49 d 2H J 62 | 34 33 t 1H J 62 | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
ir: 2 2 4 3 0 1 2 1 2 4 5 2 16 19 2 2 1 1 1 1 2 0 6 1 1 3 1 3 6 2 4 14 3 3 23 50 3 4 8 4 33 64 29 17 1 3 1 0 3 6 8 3 4 3 2 0 1 1 2 4 3 2 1 1 1 5 1 1 3 7 5 4 5 11 2 5 4 3 5 3 4 6 4 1 19 14 2 4 1 0 1 1 1 1 1 6 2 5 3 1 2 1 0 1 1 1 2 1 1 1 1 7 5 1 0 5 11 3 3 1 0 0 1 1 4 7 3 2 2 4 2 1 1 3 10 24 51 2 0 2 2 28 5 8 40 12 3 3 5 1 1 2 5 6 6 1 1 1 1 0 1 10 2 2 1 0 1 2 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 4 2 5 7 18 18 100 50 8 22 34 3 3 2 14 10 1 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 s 1H | 74 73 m 0H | 73 73 s 0H | 73 73 m 2H | 73 73 m 4H | 73 73 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC1(F)CN(c2cnccc2-n2cc(Cl)cn2)CCC1COCc1ccccc1
ir: 4 3 2 4 7 6 3 4 7 5 5 16 36 3 5 4 6 7 5 6 9 50 7 4 3 2 2 3 3 9 12 18 12 5 3 2 6 12 14 38 21 6 5 4 5 11 11 3 4 4 8 7 3 15 4 4 10 8 2 5 6 9 7 12 16 7 14 15 45 8 5 10 10 33 19 7 48 8 8 2 2 2 2 5 10 13 3 5 34 15 15 12 14 15 5 23 10 8 5 6 7 5 1 13 7 6 7 13 18 9 28 11 19 13 12 7 5 3 7 23 11 11 9 38 9 6 5 5 3 12 9 13 5 7 20 36 10 5 1 2 3 3 15 28 22 6 4 4 5 14 6 14 6 3 3 4 2 1 1 2 1 0 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 4 4 3 6 3 2 4 4 7 8 24 27 23 100 66 26 25 28 17 3 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dd 1H J 14 48 | 84 84 d 1H J 13 | 80 80 s 1H | 80 79 s 1H | 76 76 d 1H J 49 | 74 73 m 1H | 73 73 m 4H | 45 44 m 2H | 43 42 m 1H | 42 41 dt 1H J 128 154 | 37 36 m 2H | 35 34 m 2H | 25 23 m 1H | 21 20 ddtt 1H J 28 75 103 121 | 19 18 ddtt 1H J 29 74 102 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ncc(C(=O)OC(C)(C)C)cc1Cl
ir: 29 11 6 3 4 4 3 12 5 9 16 7 3 2 7 5 15 13 8 4 2 3 3 2 2 14 15 3 8 3 4 2 1 3 3 1 1 5 6 10 20 82 34 12 8 0 2 5 3 0 2 3 2 1 3 8 3 1 3 5 9 9 6 5 4 3 3 15 20 4 3 7 12 5 3 3 2 4 4 4 2 2 3 10 27 9 8 8 5 3 3 3 2 2 3 4 2 5 7 4 6 3 2 2 4 6 3 2 2 2 2 2 3 3 3 5 11 27 49 13 10 9 7 46 100 28 8 6 8 10 4 6 9 6 3 8 8 3 10 22 4 1 2 8 11 64 82 4 3 7 4 0 2 9 16 19 14 5 2 2 5 22 35 1 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 3 3 3 4 4 3 2 2 2 3 2 2 4 14 13 6 11 29 15 12 29 8 9 8 6 5 8 5 5 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 d 1H J 16 | 81 81 d 1H J 18 | 72 71 dd 1H J 111 166 | 59 58 dd 1H J 37 166 | 57 56 dd 1H J 38 111 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cccc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)c2)cc1
ir: 4 2 6 12 5 4 4 9 10 10 11 8 4 4 3 7 4 5 5 8 6 3 3 3 12 8 3 3 5 5 21 47 22 12 7 5 4 2 6 7 6 5 7 18 39 56 36 42 51 14 15 17 11 17 15 5 2 2 2 6 2 3 7 9 23 14 6 13 8 18 4 5 4 2 1 2 3 3 4 7 3 8 3 3 3 49 100 20 5 18 21 3 2 2 4 24 26 6 9 13 7 24 7 3 5 6 3 1 1 1 0 1 1 2 2 3 4 4 3 3 2 23 7 8 12 3 6 4 20 10 6 3 3 1 5 2 1 1 1 23 56 12 22 8 5 2 2 9 6 11 22 14 9 2 2 2 2 26 3 1 1 1 1 3 3 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 2 3 3 4 6 12 16 80 54 18 12 5 3 2 2 3 1 0 1 1 1 0 1 1 0 1 2 2 1 2 6 10 5 85 69 19 4 4 1 2 2 2 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 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 t 1H J 22 | 81 81 s 1H | 81 81 t 1H J 21 | 79 78 m 2H | 77 76 ddd 1H J 12 21 77 | 76 75 m 5H | 74 74 ddd 1H J 13 22 79 | 73 72 dq 2H J 8 84 | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1sc2c(O)nc(-c3ccncc3)nc2c1Br
ir: 4 12 4 7 5 2 2 2 2 2 6 2 2 2 1 6 4 3 2 2 2 1 2 5 2 1 1 2 2 1 1 2 6 2 1 2 2 2 14 16 5 2 3 2 2 4 2 2 2 1 2 1 1 2 2 1 2 1 2 2 2 2 4 6 2 2 1 2 5 2 2 3 5 11 6 5 3 2 2 2 8 10 4 3 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 1 1 2 1 1 3 2 2 2 5 5 2 2 2 2 1 2 1 1 3 3 2 1 1 1 2 9 2 2 1 4 10 3 2 3 2 12 7 49 7 2 6 2 1 1 2 1 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 4 5 2 3 7 5 3 3 1 2 2 1 0 73 100 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 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; 1HNMR: 87 87 m 3H | 82 81 m 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc3c(=O)c(C(=O)O)cn4c3c2CCC4C)cc1
ir: 6 5 8 2 5 3 3 5 8 10 10 15 13 5 2 4 6 5 11 5 6 57 11 4 2 4 5 6 2 2 3 4 1 2 3 3 2 2 4 3 4 7 5 3 4 10 4 10 23 9 7 2 5 21 3 2 2 4 2 2 2 3 2 2 5 10 23 7 8 4 2 3 3 5 3 2 10 23 3 3 3 20 2 1 100 7 4 5 8 1 3 13 0 31 18 4 4 3 3 14 6 4 5 2 3 2 6 3 3 2 1 2 2 3 4 3 3 4 5 7 5 7 4 14 7 13 4 4 4 4 3 3 2 2 1 2 2 3 10 5 2 2 2 8 2 2 7 4 4 5 8 4 5 11 18 5 3 2 2 3 12 2 7 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 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 1 1 1 2 2 2 2 2 2 2 2 2 3 3 3 3 2 2 12 16 13 23 12 16 4 2 3 3 2 1 3 7 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 86 d 1H J 18 | 81 80 s 1H | 78 77 m 2H | 74 73 m 2H | 41 40 m 1H | 31 30 ddd 1H J 55 82 154 | 30 29 ddd 1H J 55 81 154 | 24 24 d 3H J 10 | 22 21 dddd 1H J 56 63 82 120 | 20 19 m 1H | 13 12 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOCc1cc[nH]n1
ir: 3 37 19 4 1 2 3 2 2 3 5 2 1 4 3 1 1 1 2 1 1 1 2 1 1 2 2 0 6 2 1 2 2 2 2 1 1 2 4 0 2 15 45 6 2 12 3 3 2 2 4 2 1 1 1 5 2 6 1 1 1 2 3 1 1 2 1 1 7 1 2 13 1 1 2 1 1 3 1 1 1 2 2 3 2 11 27 8 4 3 2 13 7 11 31 8 1 1 2 1 1 1 1 1 1 1 1 2 8 2 2 1 2 2 1 1 1 1 1 1 2 2 2 2 1 3 1 1 1 1 1 1 1 1 1 1 2 3 2 7 2 1 4 9 2 1 2 2 2 24 3 9 18 2 3 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 6 2 4 4 3 6 21 18 12 4 3 100 2 1 1 2 1 1 4 2 1 1 1 2 1 1 2 1 1 16 18 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 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; 1HNMR: 74 74 dd 1H J 18 33 | 62 61 dt 1H J 9 18 | 47 47 d 2H J 7 | 37 37 m 5H | 28 28 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC[C@H](F)C3)CC2)c1
ir: 2 5 8 6 4 10 6 4 13 32 31 15 5 6 9 4 4 9 24 26 18 10 8 11 12 4 5 12 3 15 34 17 20 21 10 11 11 11 12 6 9 5 3 1 6 8 5 3 3 7 19 3 5 4 7 4 17 9 8 11 4 19 7 5 6 8 8 11 12 22 6 11 18 24 15 15 33 10 5 2 4 5 1 1 6 11 8 6 9 30 12 12 16 19 6 9 6 28 7 5 13 12 18 35 13 28 22 16 13 12 9 11 17 21 12 15 14 11 4 10 26 6 19 5 7 23 32 13 27 12 23 14 14 64 5 6 10 5 2 7 5 1 4 9 21 2 66 42 5 20 100 14 2 3 8 7 10 1 1 2 2 3 29 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 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 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 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 4 1 2 4 4 4 5 11 7 8 10 13 7 14 33 24 7 64 31 14 8 27 14 6 2 3 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 85 85 dd 1H J 13 49 | 84 83 d 1H J 14 | 78 78 d 1H J 9 | 76 76 d 1H J 49 | 76 75 d 1H J 9 | 51 50 m 1H | 50 49 m 1H | 38 37 m 1H | 37 36 ddddd 1H J 18 35 52 70 123 | 36 35 m 4H | 34 33 ddd 2H J 60 88 124 | 26 25 p 1H J 60 | 25 23 m 1H | 24 24 s 3H | 22 21 m 3H | 20 19 ddt 2H J 60 86 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccccc2)cc(N(C)N)n1
ir: 1 1 1 3 3 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 1 1 2 1 2 3 3 2 7 3 3 4 5 6 3 3 2 4 3 4 3 44 9 3 0 1 2 1 0 1 1 1 1 1 1 1 0 0 1 1 2 3 3 3 1 2 1 2 2 7 4 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 1 1 0 1 1 2 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 2 2 1 2 1 1 3 8 10 60 24 6 6 1 0 2 1 1 0 1 1 3 3 1 1 1 1 6 5 2 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 1 2 1 2 10 8 7 3 1 1 1 1 1 0 0 1 1 0 2 9 10 3 1 0 1 1 1 1 15 100 7 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; 1HNMR: 80 80 m 2H | 75 74 m 2H | 74 74 m 1H | 70 70 s 1H | 47 47 s 2H | 36 36 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(C)c2c(c1C)C(=O)C(C)=C(C)C2=O
ir: 1 10 6 4 6 4 3 3 1 2 1 2 2 3 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 1 1 1 3 1 1 1 1 1 0 1 1 2 2 3 3 65 37 28 2 1 1 2 2 1 1 1 2 1 1 1 4 6 5 1 1 2 1 4 5 2 1 2 2 1 1 1 1 2 0 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 10 3 1 1 1 1 1 1 1 1 4 1 2 2 2 5 21 3 7 5 8 5 5 11 7 6 4 1 2 1 2 1 1 1 1 1 4 5 2 1 4 1 4 4 1 1 2 4 100 21 65 2 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 4 5 2 2 2 3 1 1 2 1 3 2 4 12 19 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1; 1HNMR: 39 38 t 2H J 39 | 25 24 s 5H | 22 22 s 5H | 17 16 m 3H | 10 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCC1=NC(=O)Nc1c(Br)cc(Br)cc1Br
ir: 9 11 5 7 5 5 5 4 5 5 4 5 5 5 6 8 13 6 7 6 7 5 5 4 5 4 5 5 6 11 15 14 43 17 21 23 6 13 7 7 5 8 8 10 14 13 6 5 6 6 5 5 5 7 9 7 5 6 7 4 5 4 5 4 5 9 42 10 5 4 4 4 5 5 5 7 6 6 6 5 4 5 5 5 5 5 5 6 12 6 6 4 5 5 19 6 4 5 8 6 5 6 10 5 6 5 5 4 5 6 6 7 6 5 6 6 6 6 6 9 10 8 16 19 6 8 8 5 5 8 5 5 10 9 6 5 4 5 5 4 5 5 7 6 7 21 16 42 51 44 14 13 94 0 7 9 7 2 5 6 5 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 4 4 4 4 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 5 5 6 5 7 6 4 6 5 6 10 10 7 13 30 7 5 5 7 5 5 4 4 4 5 4 4 5 6 5 4 5 5 4 5 5 8 7 45 100 13 8 5 6 5 6 5 5 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; 1HNMR: 93 93 s 1H | 77 77 s 2H | 35 34 m 2H | 30 29 s 3H | 27 27 t 2H J 48 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)c2cnc(S(C)(=O)=O)nc2CN1C(=O)OCc1ccccc1
ir: 3 5 8 24 9 3 4 1 1 7 9 34 8 2 1 1 1 2 2 1 1 7 1 5 1 1 3 1 2 2 4 10 3 3 2 4 15 27 25 11 20 5 4 2 2 3 1 1 1 2 1 1 1 1 1 1 2 3 2 1 2 2 3 2 2 5 11 37 5 2 1 1 3 22 2 4 2 1 3 3 9 2 2 32 16 27 8 4 4 11 3 1 1 1 1 1 1 7 2 3 3 2 2 2 4 8 7 6 3 1 0 1 2 2 3 3 1 4 6 7 7 2 4 3 6 3 2 6 5 4 13 69 3 2 3 7 3 1 0 3 5 100 9 6 1 2 60 1 2 2 11 29 4 3 2 1 5 9 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 2 2 2 3 4 1 1 2 2 2 1 1 2 3 2 6 10 13 12 10 26 12 4 2 2 2 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 74 73 m 6H | 52 52 s 2H | 48 48 s 2H | 32 32 s 3H | 18 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(=O)O)CC2)cc1
ir: 2 3 2 2 1 5 4 3 3 7 6 12 14 22 15 13 7 6 4 23 18 67 100 20 35 13 8 2 3 6 4 6 4 3 1 1 2 8 11 4 3 2 7 27 7 7 8 4 2 2 2 2 45 46 8 4 2 2 2 1 2 3 4 7 12 15 5 6 4 10 3 4 2 2 3 3 9 9 25 14 8 13 28 12 50 33 14 12 20 11 4 2 5 52 23 2 5 9 3 2 6 5 2 3 3 3 5 5 2 5 8 11 10 7 13 3 3 2 4 10 3 4 1 7 7 5 4 3 2 4 3 5 4 4 5 9 10 4 2 3 1 16 14 35 32 8 20 7 2 2 2 5 3 0 1 1 1 0 0 2 7 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 1 2 2 3 5 5 7 3 18 25 27 33 24 9 6 7 2 2 3 5 43 92 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 74 72 m 5H | 45 45 d 2H J 8 | 32 31 d 2H J 52 | 24 24 d 3H J 10 | 20 19 m 2H | 19 18 m 1H | 18 16 m 5H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)NC(C)(C)N(CCCCOCc2ccccc2)C1=O
ir: 8 8 4 2 4 3 1 3 2 3 11 3 2 2 2 5 1 1 1 1 2 3 3 2 2 5 5 15 31 7 16 38 49 41 12 4 8 12 50 75 50 30 16 9 13 31 12 17 13 10 5 1 2 6 3 1 3 4 3 0 3 6 5 7 13 17 33 37 25 5 5 2 2 1 3 4 1 2 2 4 1 3 2 2 6 16 34 26 19 17 4 3 2 3 4 3 4 9 10 10 21 6 5 5 4 31 9 5 8 17 11 7 3 5 22 75 65 20 32 41 40 18 37 16 28 5 7 8 14 32 29 41 7 5 12 7 9 4 3 2 1 4 27 21 6 2 4 3 32 100 6 5 4 2 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 2 5 4 5 3 1 3 2 1 1 3 2 11 27 52 26 14 47 23 9 5 2 2 2 2 1 1 1 0 2 1 1 2 2 4 3 66 73 6 4 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 6H | 45 45 t 2H J 8 | 35 34 m 4H | 23 23 s 1H | 17 16 m 5H | 15 14 s 5H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(n1)NCCC2
ir: 3 4 2 2 1 1 13 1 1 5 11 1 1 6 1 2 1 1 1 2 1 1 1 1 1 1 3 1 1 1 1 2 1 1 1 2 10 17 3 3 2 1 1 2 1 1 1 1 2 1 2 5 1 1 17 1 2 2 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 1 1 3 1 1 1 1 1 1 0 3 4 1 2 1 0 1 1 1 1 1 1 2 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 9 23 10 2 1 1 1 2 1 100 9 4 18 3 1 2 1 1 5 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 4 20 20 2 2 5 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 dt 1H J 8 79 | 68 68 d 1H J 80 | 47 47 t 1H J 38 | 35 34 m 2H | 28 27 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2cc3[nH]c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc3cc2N1
ir: 13 4 6 4 6 14 8 2 3 5 6 20 9 4 10 7 4 3 4 1 3 8 4 5 13 42 14 3 18 9 38 73 42 65 4 7 10 0 2 4 3 24 6 7 5 15 6 5 4 2 3 6 36 13 9 26 11 11 6 6 2 2 3 2 4 14 5 36 41 3 3 5 2 1 2 2 2 1 2 2 1 1 2 2 1 7 15 9 3 2 2 2 3 4 4 8 8 13 0 31 47 3 7 7 28 5 9 7 4 6 7 15 1 7 6 9 7 12 38 50 14 27 10 17 10 10 4 4 4 3 8 7 28 10 13 8 3 3 1 2 2 3 5 7 11 10 8 70 33 4 5 11 24 4 9 25 58 14 3 2 18 5 2 0 1 37 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 6 6 4 3 4 3 3 2 3 13 42 5 41 90 18 10 6 5 4 5 4 2 3 2 3 2 2 2 2 3 4 3 3 6 14 9 29 57 100 13 66 38 5 3 7 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 24 | 73 73 s 1H | 72 72 ddt 2H J 9 35 79 | 70 70 m 3H | 47 46 s 2H | 39 38 ddd 2H J 56 84 123 | 37 37 ddd 2H J 57 83 122 | 26 26 dt 2H J 9 71 | 20 19 m 4H | 18 17 ddt 2H J 58 82 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(O)ccc1-c1nc2ccc(NC(C)=O)cc2[nH]1
ir: 1 1 1 3 1 1 1 1 1 1 0 1 3 1 2 2 1 1 1 1 1 1 2 1 3 10 16 11 7 7 5 5 7 13 4 6 4 2 5 1 1 1 0 0 1 0 0 1 1 4 2 3 2 5 15 13 1 1 1 0 0 0 1 1 2 3 10 13 4 3 3 1 1 0 2 3 3 1 1 1 2 39 1 1 1 2 1 1 1 4 1 0 5 1 0 0 0 1 1 0 0 0 0 0 1 2 2 1 2 2 1 1 0 0 0 0 0 1 0 1 1 0 1 1 0 1 1 1 0 2 0 0 0 4 0 0 0 0 0 1 1 1 4 21 3 5 4 1 2 1 1 2 7 7 4 3 3 0 1 0 0 0 1 5 2 4 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 2 1 3 23 9 1 1 0 1 2 3 100 13 2 1 0 1 0 0 0 0 0 1 1 1 2 3 10 14 9 13 2 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 88 87 s 1H | 80 80 d 1H J 22 | 77 76 d 1H J 93 | 75 75 dd 1H J 20 82 | 73 73 d 1H J 82 | 67 67 dd 1H J 22 92 | 65 64 d 1H J 22 | 39 39 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc(Br)cc1Cl)C1CC1
ir: 1 3 17 38 16 8 3 15 13 13 3 2 3 4 20 7 4 7 22 10 3 4 4 2 1 3 2 1 2 6 3 3 3 5 16 11 11 5 10 12 12 7 5 4 3 2 2 1 1 15 12 11 12 25 23 9 2 0 1 2 2 1 2 4 6 85 38 15 5 4 2 1 3 3 1 2 2 16 4 2 6 38 55 54 29 27 73 20 11 18 20 14 16 1 1 2 3 3 1 11 6 2 0 1 2 2 0 1 2 1 1 3 4 2 0 1 2 1 1 19 3 1 0 1 2 1 0 1 3 2 2 2 5 13 12 22 14 8 15 3 2 1 1 2 2 3 4 9 17 4 6 11 6 3 2 3 2 1 6 27 2 2 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 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 2 5 5 5 13 12 9 60 100 67 18 9 21 3 4 6 2 1 2 7 1 0 2 2 1 0 2 3 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 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 78 78 d 1H J 96 | 78 77 d 1H J 22 | 77 76 dd 1H J 21 96 | 31 31 p 1H J 76 | 18 17 m 2H | 15 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2o1
ir: 19 18 19 19 19 19 18 18 18 18 18 18 18 19 19 23 26 29 24 35 26 18 19 20 21 19 18 19 20 21 20 21 21 23 21 20 19 19 25 49 38 23 20 20 25 31 27 28 21 18 19 21 22 20 20 20 20 19 19 19 19 17 19 19 19 18 19 20 20 20 20 23 62 28 20 20 20 19 18 18 19 27 28 21 20 21 20 19 18 18 18 19 19 19 23 20 19 19 21 22 23 30 37 30 24 24 19 19 19 18 23 28 25 26 29 19 18 19 22 24 20 25 23 19 17 19 27 23 18 19 20 18 16 19 20 17 16 45 28 19 19 20 20 18 26 30 25 14 16 25 24 0 100 41 14 30 22 12 16 37 26 13 17 22 18 15 18 21 18 15 18 21 18 15 18 20 18 16 18 20 18 16 18 19 17 17 18 19 17 17 18 19 17 17 18 19 17 17 18 19 17 17 19 18 17 17 19 18 17 17 19 18 17 18 19 18 17 18 19 18 17 18 19 18 17 18 19 18 17 18 19 18 17 18 19 18 17 18 19 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 17 17 18 18 17 18 18 18 18 18 18 18 17 18 19 19 18 18 19 19 19 19 20 18 17 18 19 19 28 24 23 19 22 23 26 21 26 22 19 18 17 18 19 18 17 18 18 18 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18; 1HNMR: 97 97 s 1H | 75 75 s 1H | 39 38 m 4H | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)c1ncc(C(=O)c2c(OC)ccc(F)c2F)c(N)n1
ir: 2 1 2 1 1 1 1 2 1 2 1 1 2 1 2 2 2 1 2 1 1 1 1 0 1 1 1 1 1 0 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 7 16 2 3 3 1 2 2 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 1 5 2 0 0 0 0 0 0 0 0 0 1 0 3 3 1 1 1 2 1 2 5 1 1 1 2 7 19 5 1 2 2 9 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 0 0 0 0 0 0 0 0 1 1 1 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 4 0 0 0 0 0 0 0 0 0 2 3 100 3 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; 1HNMR: 89 89 s 1H | 80 79 s 2H | 73 72 td 1H J 49 100 | 70 69 dd 1H J 47 97 | 39 39 s 3H | 33 32 q 2H J 87 | 17 16 t 3H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)C1CC1c1ccncc1
ir: 43 35 16 12 14 16 18 15 24 9 9 4 0 4 7 2 0 5 10 10 2 8 30 23 85 10 7 2 3 9 7 4 17 28 38 23 13 7 5 3 6 17 20 47 65 23 8 1 2 6 4 2 4 7 3 0 3 9 7 20 7 8 5 35 36 8 3 2 6 25 62 64 62 66 20 18 9 16 12 14 18 15 7 4 5 5 9 13 27 13 20 3 20 25 30 8 3 10 33 28 8 5 4 9 30 19 5 4 6 4 2 9 13 5 2 4 6 4 2 10 16 28 8 6 6 4 2 5 5 4 76 15 22 6 2 4 5 5 4 7 6 8 8 4 11 20 42 34 51 34 16 12 10 5 3 7 5 14 19 12 10 6 32 18 4 2 3 6 4 0 3 7 3 0 3 6 3 0 4 6 3 1 4 5 3 1 4 6 3 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 3 1 3 6 3 0 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 3 5 4 2 2 5 4 2 3 6 4 2 3 6 4 2 4 14 10 3 8 34 57 86 100 34 18 28 14 8 7 5 4 6 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5; 1HNMR: 86 85 m 2H | 72 72 m 2H | 31 30 m 2H | 17 16 ddd 1H J 59 66 86 | 14 13 ddd 1H J 59 66 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc(-c2ccc(N)c(Cl)c2)n1
ir: 5 9 25 17 10 11 10 4 4 11 19 10 4 3 4 4 2 2 3 3 2 5 2 3 3 2 2 2 2 2 2 2 2 3 3 5 7 4 3 2 3 2 2 2 3 2 2 2 13 8 5 2 2 4 3 6 3 3 2 2 2 2 2 2 2 2 3 6 5 2 2 2 2 2 3 3 6 5 3 2 2 2 2 2 4 4 2 2 3 3 2 2 5 2 7 9 3 2 3 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 3 8 3 2 2 2 2 2 2 23 4 2 4 3 3 5 6 2 3 7 5 8 6 8 4 10 5 43 19 3 2 2 2 2 9 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 3 3 2 2 2 4 3 2 5 19 7 5 10 6 5 5 3 3 2 1 2 3 1 1 3 4 0 4 38 0 3 3 1 1 2 2 1 2 5 62 100 10 3 2 1 2 2 2 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 77 d 1H J 22 | 76 75 dd 1H J 22 86 | 74 73 m 1H | 70 70 d 1H J 86 | 65 65 d 1H J 35 | 41 40 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOc1ccc(C(=C(c2ccccc2)C(F)(F)F)c2ccc(O)cc2)cc1
ir: 3 2 2 3 2 3 2 4 3 1 3 5 3 2 2 4 3 2 1 1 1 1 1 2 1 1 0 1 1 2 6 2 2 1 2 1 2 1 6 26 1 2 2 1 4 1 1 2 2 5 2 3 1 1 4 26 23 25 3 2 1 2 2 2 2 1 13 3 3 25 2 2 1 1 2 3 1 5 15 8 10 7 12 17 8 3 6 8 44 7 3 11 4 1 2 2 3 1 5 42 3 2 1 1 1 1 2 1 0 0 1 0 0 3 2 1 0 1 1 2 3 1 1 1 1 7 4 0 16 3 1 1 0 2 4 36 2 0 1 1 1 6 11 2 7 7 3 4 6 18 7 4 6 2 1 1 1 1 0 0 1 1 4 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 21 33 24 6 5 2 3 3 7 100 9 4 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 76 75 m 2H | 74 73 m 5H | 70 70 m 2H | 69 69 s 1H | 69 68 m 2H | 67 66 m 2H | 42 41 t 2H J 66 | 29 29 t 2H J 66 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CNCC(C)(C)N1
ir: 1 1 1 1 1 1 2 1 1 1 1 2 0 1 0 0 0 1 1 2 1 13 6 1 0 2 1 1 1 1 1 2 1 3 1 2 2 1 1 1 2 5 3 3 3 10 9 3 11 5 2 3 3 24 9 12 13 7 5 6 6 9 5 3 3 3 2 1 1 1 2 1 1 1 0 0 0 1 0 0 1 1 1 0 0 1 1 3 2 1 0 0 2 1 1 1 1 1 2 3 2 1 1 1 2 1 3 3 1 3 1 5 8 4 17 12 11 20 12 7 6 16 10 7 7 13 9 5 2 14 7 3 3 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 1 2 3 2 4 3 1 1 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 3 3 4 100 59 8 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 29 28 ddq 1H J 28 57 88 | 27 26 dd 1H J 44 126 | 26 25 dd 1H J 40 136 | 25 24 m 2H | 20 19 p 1H J 43 | 17 16 d 1H J 62 | 13 13 s 3H | 12 11 s 3H | 11 11 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=[N+]=[N-])c1csc(N(Cc2ccc(OC)cc2)C(=O)OC(C)(C)C)n1
ir: 2 9 6 10 10 17 10 17 19 9 8 17 10 12 22 15 3 5 3 3 5 8 6 1 4 2 4 5 6 7 3 2 4 3 2 6 4 4 7 5 2 2 2 7 2 2 4 11 6 5 4 9 9 4 11 22 9 5 5 7 6 10 8 6 6 4 1 1 2 9 4 1 2 4 15 2 2 3 1 3 2 3 4 3 15 27 10 19 16 6 10 7 3 8 1 3 5 7 10 14 8 7 2 5 1 3 6 5 2 3 5 16 5 5 4 2 4 5 8 12 9 8 1 14 5 7 17 8 9 20 9 32 18 13 12 7 4 4 3 2 10 9 4 2 3 3 6 9 51 31 16 100 16 3 1 2 1 1 5 6 1 0 3 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 2 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 2 4 5 3 1 1 2 3 2 2 1 1 2 4 11 26 71 16 14 56 14 23 8 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 72 72 m 2H | 72 72 s 2H | 69 68 m 2H | 55 54 d 2H J 9 | 43 42 q 2H J 71 | 38 38 s 3H | 14 14 s 8H | 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.
Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2
ir: 2 6 15 7 3 1 5 6 2 2 3 6 41 16 2 3 2 6 2 1 2 1 4 2 6 1 4 26 4 3 0 2 3 0 1 4 1 3 1 1 2 4 3 0 1 2 5 9 73 22 5 3 1 3 23 7 14 24 6 9 12 5 2 3 5 4 14 2 2 3 4 16 29 8 10 1 1 1 3 2 5 7 9 2 3 42 21 14 27 11 1 1 5 2 3 1 3 3 7 4 13 7 4 8 5 14 2 6 7 3 7 12 4 5 3 4 3 4 13 4 5 5 6 5 2 10 13 12 3 3 2 2 1 1 3 2 9 6 4 1 2 12 2 19 1 0 0 3 1 2 1 4 5 9 21 5 3 27 28 34 5 4 6 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 3 3 0 1 1 1 1 1 1 2 0 1 1 2 1 0 2 3 9 11 14 7 21 20 4 2 0 1 3 3 100 22 4 1 2 1 1 0 1 0 0 1 1 0 1 3 39 35 20 7 31 11 5 3 5 4 2 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 26 122 | 75 75 s 1H | 70 69 ddd 1H J 26 71 99 | 69 69 dd 1H J 47 71 | 43 42 m 1H | 39 39 d 1H J 66 | 38 38 m 1H | 38 36 dt 6H J 43 224 | 36 36 dd 1H J 57 119 | 34 34 dd 1H J 58 120 | 30 30 s 3H | 29 28 m 3H | 28 27 m 2H | 27 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FCCCC1CCC(c2cc(F)cc(F)c2)CC1
ir: 0 1 1 1 1 1 1 1 1 1 2 1 1 3 2 0 0 1 1 2 0 0 0 0 1 1 1 0 1 1 3 4 1 1 1 0 1 1 1 1 1 1 1 4 1 1 1 0 1 1 1 0 1 3 5 3 6 12 3 0 1 2 2 7 6 21 63 24 7 3 6 5 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 7 10 7 5 9 5 7 2 2 2 1 0 1 8 11 5 4 5 8 23 3 7 5 12 2 3 6 6 3 2 3 4 8 4 6 8 9 3 2 3 1 1 2 4 2 2 1 1 0 1 0 1 0 1 1 1 1 1 1 4 1 1 0 1 1 1 1 17 19 8 2 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 8 5 3 2 4 3 7 4 4 4 43 17 27 100 10 5 7 5 6 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 tt 1H J 21 121 | 68 68 m 2H | 45 44 t 1H J 49 | 44 43 t 1H J 49 | 28 27 qd 1H J 53 60 | 19 18 ddt 2H J 57 82 135 | 17 14 m 9H | 13 12 dddd 2H J 57 69 82 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2ccccc2cc1Nc1ccccc1
ir: 1 4 1 2 13 6 7 2 2 1 3 17 1 9 1 2 6 1 2 3 7 2 2 1 1 2 2 2 5 1 8 2 2 3 1 2 2 2 1 9 91 16 98 6 3 2 4 3 1 1 1 1 0 1 0 0 1 1 1 0 0 1 0 1 1 6 7 2 9 3 9 3 1 1 1 2 6 3 2 1 1 1 0 0 1 0 0 0 1 1 0 1 2 1 0 0 2 1 1 7 15 1 1 4 15 12 7 4 1 1 1 1 0 1 1 1 0 2 1 1 1 1 1 0 1 0 0 1 3 3 3 2 4 24 9 3 21 2 2 1 1 1 5 6 2 4 3 2 9 2 7 7 5 5 22 8 1 2 7 1 1 19 17 3 1 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 2 1 2 1 2 2 3 5 7 26 100 38 3 4 2 2 1 1 2 1 1 1 1 1 1 1 0 2 3 2 0 6 15 31 29 38 38 12 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 75 75 m 2H | 74 73 m 1H | 73 73 ddd 1H J 15 70 81 | 72 72 m 2H | 69 68 m 3H | 54 54 s 1H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)c1
ir: 2 1 1 1 2 2 2 3 2 2 1 3 5 2 3 4 5 5 4 6 22 100 77 7 2 3 5 1 1 4 3 9 4 3 3 2 1 2 3 2 4 4 13 22 2 3 2 1 6 3 2 4 11 33 6 3 3 2 1 1 2 3 2 1 2 5 2 1 8 4 7 5 4 6 6 6 10 5 25 27 7 10 2 2 3 7 5 3 7 2 3 2 2 1 1 1 1 1 3 3 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 7 18 6 3 3 8 3 4 1 2 33 0 1 2 1 2 2 2 1 2 30 12 3 2 3 18 8 2 4 7 28 20 6 12 16 2 2 4 2 1 3 1 1 2 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 3 3 1 2 4 4 0 31 49 24 14 5 2 3 4 2 2 15 74 3 0 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 83 83 t 1H J 22 | 82 82 ddd 1H J 13 21 79 | 77 76 ddd 1H J 13 21 79 | 76 74 m 6H | 73 73 dd 1H J 26 88 | 70 69 d 1H J 88 | 40 40 t 2H J 65 | 18 16 m 1H | 17 16 q 2H J 64 | 9 9 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(NC(=O)OCc1ccccc1)c1ccccc1
ir: 5 8 5 6 2 2 3 2 3 4 2 2 1 2 8 7 3 3 2 3 7 10 5 5 3 8 8 11 7 8 9 14 9 24 24 11 4 3 12 14 31 23 9 1 3 3 1 1 2 3 2 2 2 1 1 1 2 2 2 1 2 3 1 5 4 8 10 5 5 4 3 1 1 2 1 4 5 4 5 3 1 2 2 1 1 1 1 2 4 21 5 1 2 2 1 2 5 6 7 3 2 2 0 1 2 2 2 2 2 2 5 6 2 2 2 1 1 2 2 5 7 3 3 3 2 4 6 7 2 6 7 4 2 3 4 12 2 3 3 1 3 10 100 73 51 30 21 5 11 32 5 3 6 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 2 3 2 2 2 1 2 3 16 8 7 62 46 10 4 1 1 2 2 1 2 2 1 1 1 1 1 0 1 1 1 2 2 4 3 15 18 6 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 m 7H | 73 73 m 3H | 73 72 m 1H | 67 66 d 1H J 88 | 51 50 m 3H | 37 36 s 2H | 30 29 dd 1H J 70 173 | 27 27 dd 1H J 70 173
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2nc3ccc(Cl)cc3nc2OC)c(OC)c1
ir: 0 1 1 1 2 3 3 4 3 3 9 10 11 12 4 3 4 11 4 2 4 30 6 3 2 1 1 2 1 1 1 0 1 1 1 1 1 4 1 2 1 2 1 1 2 1 1 0 1 3 1 0 3 3 7 7 55 3 1 1 1 0 3 1 4 1 2 6 10 8 1 2 1 3 1 3 1 1 1 0 0 0 0 0 0 3 1 2 4 2 1 0 1 1 11 12 2 2 1 2 2 1 0 0 1 2 21 2 4 1 1 1 0 1 2 2 4 1 16 20 11 4 5 4 20 2 1 2 1 1 1 1 3 0 7 33 12 6 1 1 0 1 3 1 1 1 1 3 8 14 25 3 1 6 9 4 23 2 0 1 0 1 23 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 5 3 10 10 12 3 1 1 1 1 1 1 0 0 1 1 1 0 0 0 1 0 1 1 0 4 6 100 31 14 7 7 6 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 21 | 78 77 d 1H J 86 | 76 76 dd 1H J 22 86 | 72 71 dt 1H J 9 84 | 69 68 m 1H | 66 65 dd 1H J 23 85 | 65 64 d 1H J 23 | 50 49 dd 2H J 8 59 | 41 41 s 2H | 38 38 d 6H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(COc1cccc([N+](=O)[O-])c1C#N)NC(=O)c1ccccc1
ir: 1 3 4 3 1 3 4 3 1 3 3 2 1 3 4 3 1 4 4 2 2 3 4 8 4 7 10 12 6 5 3 3 11 6 11 51 100 90 18 4 4 12 8 6 9 9 10 0 12 11 3 2 2 4 2 0 2 4 2 0 2 6 7 2 3 8 3 1 2 6 3 2 4 5 3 2 6 4 8 8 3 5 2 1 3 3 1 1 3 3 1 3 5 4 1 2 4 3 2 2 4 3 1 2 3 2 1 2 3 2 1 2 4 6 4 2 3 3 2 3 5 3 1 8 6 3 1 3 4 4 4 5 7 8 8 8 3 4 4 6 16 32 9 12 12 12 20 18 6 2 2 4 4 2 10 12 7 4 3 4 5 4 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 7 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 2 2 3 2 1 3 3 2 2 2 5 3 6 15 6 22 83 41 8 5 1 3 4 2 1 3 3 2 1 3 4 2 2 2 3 1 2 3 4 7 26 20 7 3 3 3 3 2 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3; 1HNMR: 80 79 dd 1H J 11 88 | 78 77 m 2H | 77 76 dd 1H J 80 88 | 75 75 m 1H | 75 74 m 2H | 73 72 dd 1H J 12 81 | 67 67 s 1H | 42 42 s 2H | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(CCn2c3c(c(=O)[nH]c2=O)CSCC3)cc1
ir: 13 8 5 10 15 11 17 9 8 6 2 6 7 5 3 5 6 3 3 9 5 3 4 4 6 3 4 6 15 5 3 5 7 5 4 7 6 5 6 5 5 4 5 6 5 7 5 7 7 6 7 5 16 100 67 69 16 3 11 12 4 0 5 9 4 1 6 9 3 2 5 6 3 1 4 6 3 3 10 9 5 2 5 5 2 2 4 6 6 11 5 5 2 2 5 4 2 7 8 4 1 3 6 4 2 4 11 5 3 6 12 11 3 5 6 4 1 5 6 7 2 6 6 3 2 4 6 6 3 5 8 4 3 5 5 2 2 4 5 2 2 5 5 3 9 7 5 2 2 6 7 3 11 20 28 24 15 17 6 3 4 8 51 90 27 3 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 5 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 3 4 7 7 2 4 7 4 3 5 8 7 6 15 20 11 3 5 5 3 2 4 5 3 2 3 5 3 2 4 5 8 12 23 7 4 2 5 8 13 11 7 7 3 63 58 11 10 6 4 4 4 4 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 5 4 3 4 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 99 98 s 1H | 70 69 dt 2H J 9 81 | 64 64 m 2H | 40 39 t 2H J 65 | 37 37 s 2H | 34 33 t 2H J 10 | 29 29 m 4H | 27 26 tt 2H J 11 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C(C)(C)CNC1CCCC1
ir: 5 2 3 7 3 2 2 2 3 2 3 3 1 2 1 1 1 3 1 4 1 2 11 14 7 4 2 4 5 4 2 3 3 4 36 100 5 10 5 4 6 5 5 9 7 11 9 8 6 5 2 2 2 5 3 1 9 2 2 1 5 9 2 8 11 8 3 6 4 2 3 4 7 6 12 7 16 6 1 1 1 2 1 1 2 1 1 0 1 1 3 5 4 2 1 2 2 1 2 2 11 6 5 3 12 12 8 5 10 4 4 3 6 10 11 7 11 13 9 8 7 5 7 11 14 5 5 5 9 5 4 4 5 1 5 7 10 5 4 5 1 3 9 20 54 32 46 17 5 1 1 2 1 1 0 1 1 1 2 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 1 1 1 2 1 2 2 1 1 2 2 3 3 12 8 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 3 2 2 13 65 90 47 10 17 28 26 24 4 2 2 2 0 0 1 1 0 0 1 1 1 0 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 60 59 q 1H J 46 | 29 29 d 2H J 52 | 29 28 dp 1H J 30 61 | 28 27 d 3H J 46 | 27 26 dt 1H J 51 60 | 18 17 m 2H | 17 16 m 2H | 16 14 m 4H | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CNC(=O)C=Cc2ccco2)c1
ir: 2 2 3 3 4 5 2 3 2 2 2 2 8 8 4 6 5 6 1 2 3 13 8 5 3 4 2 2 2 3 3 5 4 4 8 7 12 12 11 22 23 7 3 1 2 4 17 20 5 8 3 1 2 2 2 0 1 5 3 1 5 21 36 16 4 1 9 9 12 6 2 2 6 6 5 5 3 3 1 1 3 6 15 26 25 4 3 2 1 3 5 2 5 8 7 4 5 2 1 4 4 2 1 1 2 2 10 2 2 3 2 3 1 2 2 1 2 1 1 2 4 5 2 2 4 8 9 5 14 12 4 4 2 2 38 5 3 1 2 4 5 7 4 20 37 5 32 11 100 6 2 4 43 6 2 4 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 2 3 3 1 4 7 5 6 8 18 17 66 14 31 15 5 4 2 2 1 2 1 1 2 1 1 1 1 1 1 1 2 2 4 10 43 17 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 ddd 1H J 12 22 73 | 75 75 t 1H J 15 | 75 74 m 2H | 72 72 m 2H | 71 70 t 1H J 61 | 68 67 m 1H | 67 66 dd 1H J 11 49 | 66 65 d 1H J 163 | 42 41 q 1H J 34 | 39 38 dd 1H J 13 108 | 37 36 dd 1H J 31 108 | 36 36 ddd 1H J 35 60 121 | 34 33 ddd 1H J 34 61 121 | 29 29 s 2H | 24 24 m 2H | 15 14 dddd 1H J 35 44 53 77 | 12 11 ddd 1H J 44 59 73 | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2
ir: 1 1 1 1 2 2 3 2 1 2 3 4 4 2 2 1 4 5 3 3 17 10 9 2 5 8 6 3 2 4 5 5 2 2 8 14 2 3 3 2 1 2 2 1 1 5 1 1 2 1 2 4 4 11 31 33 10 2 4 2 2 1 1 2 3 2 2 1 1 1 1 2 2 2 4 4 5 5 9 4 2 1 2 2 5 3 2 2 8 3 4 3 8 7 5 3 1 1 2 3 1 1 4 8 1 7 13 4 3 1 1 2 17 2 0 1 2 3 1 1 3 2 1 4 3 3 3 1 2 1 1 2 1 1 1 2 2 1 0 2 9 31 5 3 10 3 2 9 3 12 6 2 8 36 11 21 65 4 5 3 2 2 3 10 34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 13 9 4 2 3 1 0 2 80 11 4 1 0 2 2 2 1 2 2 1 1 5 8 4 31 100 14 8 7 2 1 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; 1HNMR: 89 88 s 1H | 88 88 s 1H | 85 85 s 1H | 84 84 t 1H J 17 | 81 81 tt 1H J 9 18 | 71 70 m 2H | 70 69 dt 1H J 9 20 | 67 66 d 1H J 83 | 57 57 s 1H | 31 30 ddt 2H J 9 84 93 | 29 29 tq 2H J 9 89
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=O)c1ccc(Cl)cc1Cl
ir: 3 9 5 2 2 6 8 8 5 5 6 4 5 3 4 3 8 8 4 3 3 4 13 14 3 4 3 1 0 3 4 1 6 12 6 4 8 12 7 2 6 7 21 13 5 9 8 12 9 13 5 4 12 39 75 31 16 5 4 10 8 5 3 5 5 2 28 100 17 5 2 1 4 5 1 0 2 3 1 0 2 3 9 16 4 3 3 4 4 3 1 1 3 3 3 2 6 6 6 34 48 6 6 3 3 3 6 8 10 21 5 5 8 6 6 4 9 11 1 27 12 28 23 20 21 6 3 10 31 7 5 10 11 25 56 25 15 12 8 4 3 3 3 6 6 13 18 9 25 27 5 22 9 2 2 4 3 1 2 5 7 3 2 3 2 0 1 3 1 0 1 3 1 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 5 2 4 5 11 13 5 7 4 4 4 4 5 17 26 19 45 70 36 24 6 5 3 4 2 1 4 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 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 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 77 d 1H J 88 | 74 74 d 1H J 21 | 74 73 dd 1H J 21 89 | 31 30 t 2H J 86 | 17 16 tt 2H J 67 86 | 14 13 h 2H J 72 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(Cc1cnc2cccc(OC)c2c1)c1ccc(OC)c(OC)c1
ir: 6 10 2 6 2 3 9 3 1 4 5 8 3 1 2 3 6 4 9 4 5 4 2 5 2 2 1 6 10 4 17 7 2 2 3 1 8 1 1 1 2 3 2 2 21 1 1 2 3 1 2 9 100 45 25 8 5 5 7 2 1 4 4 7 2 16 13 19 26 24 10 2 3 6 6 3 5 3 1 1 3 16 23 4 1 1 1 2 18 7 19 4 2 1 3 3 2 2 9 15 3 4 5 3 5 5 3 3 1 5 3 8 7 3 5 3 8 4 12 9 11 5 4 4 3 29 14 8 1 1 1 2 1 1 1 1 3 1 2 3 7 21 2 6 4 55 40 5 12 9 14 5 3 6 9 39 3 4 3 33 10 3 11 0 2 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 0 1 0 2 0 2 1 1 7 3 9 6 6 10 4 39 94 40 7 4 4 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dt 1H J 9 16 | 83 82 q 1H J 11 | 78 77 dd 1H J 13 76 | 74 73 dd 1H J 75 84 | 70 70 m 1H | 70 69 dd 1H J 7 19 | 69 68 m 2H | 40 40 m 1H | 39 39 s 3H | 39 38 d 6H J 22 | 37 37 s 3H | 34 33 ddt 1H J 9 86 152 | 32 31 ddt 1H J 8 86 151
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1nn(N)c(=O)c2ccccc12
ir: 8 11 8 3 3 2 1 2 6 13 7 5 9 5 5 5 8 5 2 2 3 5 4 10 13 12 27 44 24 17 41 50 34 21 13 2 8 17 18 16 9 19 19 71 13 1 16 16 12 7 10 3 7 2 3 7 2 2 3 3 3 5 2 7 17 16 7 3 5 3 6 4 3 1 2 4 2 0 2 1 1 1 1 6 6 2 2 5 4 3 2 1 4 2 3 4 1 3 3 5 1 1 2 1 1 1 2 2 1 3 3 3 9 4 5 3 7 8 21 15 3 13 5 6 20 27 40 10 17 82 61 14 6 4 3 4 18 4 2 17 24 11 23 12 62 100 36 18 21 58 3 5 2 0 1 2 1 1 10 2 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 1 1 2 1 1 1 1 2 1 4 11 20 6 7 71 19 8 3 2 1 1 1 1 2 4 2 0 3 1 2 1 3 18 32 14 4 5 5 31 67 8 9 5 9 42 8 1 1 1 0 1 1 1 1 0 0 0 0 1 0 0 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 15 82 | 79 78 m 2H | 76 75 td 1H J 16 76 | 66 66 s 2H | 60 59 t 1H J 57 | 46 45 d 2H J 57 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)n2nc(C3CC3)nc2n1
ir: 0 0 1 1 1 1 1 8 10 11 1 2 1 1 2 7 1 1 0 0 0 1 2 1 9 2 2 3 2 7 7 9 1 0 0 2 2 7 7 4 1 0 1 1 3 1 1 1 2 1 0 1 0 0 1 2 7 1 1 2 1 1 0 0 0 1 1 1 1 1 1 2 28 44 8 7 0 0 1 1 0 0 0 1 1 5 13 1 1 1 4 3 0 0 0 5 2 1 1 0 0 0 0 0 0 0 1 1 3 3 1 1 0 0 0 1 0 1 0 0 1 0 1 1 1 2 5 5 3 1 0 1 2 0 41 1 2 7 4 8 1 1 1 0 0 5 18 36 8 2 2 1 1 1 0 1 1 5 100 6 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 1 5 3 3 3 3 6 9 9 8 5 5 2 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 q 1H J 9 | 32 32 p 1H J 51 | 28 28 d 3H J 10 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)c1c(n2C#Cc2cccc(C)n2)CCN(C)C1
ir: 0 4 12 8 23 12 17 4 4 4 3 15 8 3 8 3 1 2 7 2 6 2 0 2 5 6 2 1 8 8 14 24 13 7 4 1 1 1 4 3 14 26 5 9 8 16 10 14 30 13 6 6 8 21 15 7 5 4 2 2 4 4 5 5 9 6 18 10 6 6 7 20 10 2 4 2 17 15 10 14 43 12 6 4 20 2 9 33 14 2 3 3 10 4 1 3 14 35 24 14 4 9 5 3 3 2 2 1 1 1 1 4 10 7 5 4 4 7 5 5 5 7 8 4 1 5 9 5 5 2 5 3 2 3 3 5 16 55 13 7 6 4 6 9 17 9 8 6 0 1 1 3 8 12 55 68 43 1 3 3 1 0 1 2 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 1 2 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 1 0 0 0 1 0 1 1 2 1 2 2 2 1 5 6 6 3 6 3 5 9 7 11 16 10 53 100 62 16 5 4 4 3 1 1 1 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 75 t 1H J 65 | 74 74 t 1H J 11 | 74 73 dd 1H J 12 63 | 72 72 m 3H | 39 39 s 2H | 31 31 m 2H | 28 27 m 2H | 25 24 m 6H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2n(c3ccccc13)C(=O)CCC2
ir: 3 4 5 5 3 3 3 3 3 5 8 10 4 3 5 4 8 12 5 25 5 4 3 3 3 3 3 3 4 9 8 4 4 3 3 3 3 10 3 4 4 13 85 71 8 4 12 7 4 4 4 6 13 5 3 5 3 5 4 2 27 0 3 4 3 4 5 6 7 8 13 4 6 10 11 5 5 3 14 5 3 3 5 4 3 7 3 3 3 3 3 7 4 8 9 4 3 3 3 3 3 3 4 5 19 4 4 4 4 3 4 6 6 25 22 20 7 7 5 13 12 4 3 5 5 3 6 4 4 7 4 4 6 17 8 4 3 4 37 5 5 4 3 4 7 24 12 12 6 2 2 11 13 100 12 5 4 5 4 2 4 10 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 5 7 7 4 5 7 5 4 4 4 7 12 22 7 14 22 66 8 5 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 78 77 dd 1H J 13 65 | 77 77 dd 1H J 13 71 | 75 75 ddd 1H J 13 66 75 | 71 71 td 1H J 14 71 | 29 29 m 2H | 29 28 m 2H | 24 24 s 2H | 20 20 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21
ir: 4 3 7 3 4 3 6 3 4 3 3 3 5 2 3 1 4 6 3 3 3 3 4 3 2 4 2 3 4 4 4 3 5 4 2 2 2 3 4 7 7 7 5 2 2 3 2 3 2 3 2 2 1 1 1 1 1 3 2 2 2 2 3 3 1 2 2 1 2 1 2 2 2 1 2 1 1 2 1 4 7 2 4 1 2 2 3 5 6 3 3 3 2 1 2 2 1 3 4 9 2 1 2 3 2 2 1 1 1 1 1 1 2 3 3 2 1 2 2 1 2 1 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 5 2 9 6 5 2 1 29 6 4 3 13 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 3 11 5 16 3 2 1 1 1 1 1 1 2 5 6 2 2 2 1 1 1 1 0 1 4 7 100 5 0 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 72 72 s 2H | 63 63 ddt 1H J 8 15 60 | 63 62 s 2H | 53 53 t 1H J 45 | 46 45 ddd 1H J 8 49 60 | 45 45 d 1H J 49 | 44 44 m 1H | 41 40 dddd 1H J 11 29 44 55 | 38 38 dddd 1H J 17 34 46 121 | 36 35 m 2H | 35 34 dt 1H J 51 111 | 16 15 m 2H | 9 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCOCCCC1CCCCC1
ir: 7 4 12 3 3 6 11 6 9 6 7 6 7 5 7 5 3 3 3 2 1 1 2 3 3 2 3 4 3 3 3 3 3 3 5 7 15 18 22 9 7 4 16 10 5 7 7 6 6 5 5 7 11 4 6 12 11 5 10 6 6 7 7 12 12 13 13 41 23 19 30 24 8 19 6 5 3 3 2 1 2 2 1 0 2 4 2 1 3 4 1 2 5 4 2 4 15 8 4 7 12 13 33 14 31 22 12 33 19 14 51 23 12 66 40 18 38 24 43 18 21 13 22 10 8 8 11 9 8 12 7 3 8 2 2 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 3 4 2 3 2 4 5 3 8 8 34 18 21 40 26 31 18 21 32 100 61 32 17 6 6 7 2 1 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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: 37 37 t 2H J 21 | 37 36 t 2H J 22 | 35 34 m 2H | 16 13 m 14H | 12 11 ddt 2H J 60 82 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C[C@]12CCCN1[C@H](C(Cl)(Cl)Cl)OC2=O
ir: 0 4 8 6 3 7 13 16 13 5 6 3 1 5 7 5 4 8 9 26 16 17 10 9 12 13 13 11 21 47 37 23 9 9 28 13 10 16 17 9 10 8 7 4 9 15 12 12 12 20 10 7 10 27 11 8 7 12 6 3 8 22 29 20 14 10 22 36 65 17 6 12 22 19 31 31 37 26 5 17 47 48 10 4 8 22 15 5 12 20 16 19 11 12 15 23 52 11 1 5 7 6 4 11 18 24 23 25 16 8 7 27 34 16 18 23 18 16 4 5 7 6 5 8 10 5 2 8 8 4 1 4 6 1 1 4 6 2 1 5 6 2 2 17 89 98 45 12 12 29 100 56 14 2 4 6 6 1 2 4 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 4 4 2 1 4 4 1 1 4 4 1 1 4 4 1 1 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 2 2 5 4 1 2 5 6 2 4 6 6 6 13 13 6 3 8 10 8 20 20 8 5 1 3 5 2 1 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5; 1HNMR: 98 98 t 1H J 9 | 57 57 s 1H | 35 34 m 2H | 23 23 dddd 1H J 8 44 66 132 | 21 20 m 1H | 20 19 ddq 1H J 44 62 128 | 18 17 ddq 1H J 42 60 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CSC(=S)N1Cc1ccccc1C(F)(F)F
ir: 5 4 3 3 2 2 2 3 4 5 6 3 6 9 13 3 5 9 5 3 12 11 4 2 2 3 3 5 11 29 5 4 3 7 2 2 3 2 3 4 7 6 81 21 3 3 2 3 3 3 3 11 63 19 5 0 2 4 3 2 2 5 2 2 3 7 3 5 4 2 2 2 3 2 12 6 3 2 2 2 2 4 11 3 2 2 2 2 3 4 8 5 6 3 2 2 5 21 26 100 18 8 3 3 4 3 3 11 22 16 4 3 5 6 7 12 28 16 17 6 3 4 6 15 48 30 13 4 3 3 3 3 4 6 12 11 5 9 10 5 4 4 3 7 9 2 2 6 13 20 13 1 3 3 3 2 2 3 3 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 6 10 5 6 4 4 4 4 5 5 5 36 16 11 33 19 5 3 4 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 2 2 2 2 2 2 2 2 2; 1HNMR: 76 76 dp 1H J 14 104 | 75 74 m 2H | 73 72 td 1H J 14 72 | 56 55 d 2H J 10 | 43 43 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc2c(Nc3ccc(C(F)(F)F)nc3)ncnc12
ir: 1 1 1 4 3 4 3 2 8 5 11 16 14 12 3 3 4 4 4 2 3 3 3 5 2 2 2 7 3 5 2 15 58 2 2 5 1 3 4 4 2 1 1 2 3 11 23 4 3 2 2 3 3 7 21 4 2 2 1 1 1 2 1 2 1 1 1 8 2 1 3 11 1 2 2 0 1 1 2 2 7 6 3 2 5 1 1 1 4 1 1 0 1 1 1 2 13 11 12 4 1 9 4 1 4 17 5 2 2 1 0 4 3 15 2 2 2 1 0 1 6 1 0 1 1 3 1 1 1 0 0 1 1 1 4 15 2 1 1 0 7 3 0 2 15 3 6 2 1 5 6 3 18 27 100 29 13 3 2 2 1 4 4 3 9 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 1 0 0 1 1 1 1 2 3 6 16 3 3 2 1 1 1 1 0 0 0 1 0 0 1 1 4 4 24 2 3 1 3 4 10 67 16 3 2 7 68 8 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 88 88 d 1H J 19 | 85 85 s 1H | 80 80 dd 1H J 11 101 | 76 76 dq 1H J 22 71 | 75 75 dd 1H J 19 71 | 74 74 dd 1H J 86 99 | 72 71 dd 1H J 13 86 | 50 50 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCCCC(C)C)c(C)cc1N=CN(C)C
ir: 5 4 2 3 14 5 3 4 4 4 2 2 3 1 0 2 3 2 1 3 4 3 1 5 5 6 2 4 5 5 14 4 6 20 9 6 4 2 3 4 5 2 2 3 2 1 5 2 2 1 2 3 4 3 3 5 2 0 2 3 3 1 4 7 9 14 6 10 14 14 20 15 7 7 10 6 7 4 4 5 3 3 2 2 1 1 2 3 2 5 9 6 0 7 32 4 3 4 4 3 3 13 18 13 1 42 23 14 23 22 33 9 20 6 5 7 8 7 9 13 7 4 9 4 3 4 2 3 5 3 4 5 9 3 2 1 1 2 2 1 2 20 2 1 1 2 2 2 2 3 2 2 11 26 6 2 4 100 4 4 2 2 3 6 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 2 2 1 1 2 1 1 1 2 2 2 5 4 3 4 10 4 4 4 3 6 5 4 7 22 22 13 11 54 8 2 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 75 p 1H J 9 | 69 69 d 1H J 7 | 67 67 s 1H | 40 39 t 2H J 56 | 30 29 d 6H J 11 | 24 24 s 2H | 23 23 s 2H | 18 17 tt 2H J 55 86 | 16 15 dp 1H J 67 133 | 14 13 td 2H J 63 86 | 9 8 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nc(S(=O)(=O)c3ccc(F)cc3)nc3c2cnn3C2CCOCC2)n[nH]1
ir: 3 3 2 4 4 4 13 8 16 6 2 5 4 23 15 6 7 4 5 8 2 5 3 6 7 5 6 19 12 10 4 2 8 4 4 7 21 12 5 5 11 10 14 36 6 4 2 4 19 15 6 3 6 7 43 9 4 3 2 4 1 0 1 2 6 6 6 3 4 4 5 2 4 5 6 7 5 4 3 3 3 7 8 100 10 2 1 2 2 1 0 1 6 2 2 5 19 18 26 21 4 2 1 1 1 1 2 2 4 3 4 2 4 8 2 8 3 2 5 1 2 2 2 5 3 4 3 2 2 2 1 4 10 1 1 0 1 2 1 1 2 6 1 3 5 14 17 17 10 5 2 3 3 4 9 24 8 3 9 32 4 2 2 3 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 0 11 5 9 31 17 11 4 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 2 5 7 10 30 15 7 7 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 84 84 s 1H | 82 81 m 2H | 75 74 m 2H | 60 60 s 1H | 48 47 p 1H J 43 | 39 38 ddd 2H J 35 62 104 | 37 36 ddd 2H J 34 60 104 | 24 23 m 2H | 23 23 s 2H | 21 20 dddd 2H J 34 43 62 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C2CC2)c(C(=O)O)cc1OCc1cccc(C#N)c1
ir: 2 2 1 1 1 1 1 2 3 1 1 4 2 4 9 4 3 2 11 11 21 35 2 2 4 2 3 2 2 1 1 2 3 2 10 5 1 2 3 2 13 6 2 1 1 1 1 1 5 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 5 6 5 2 3 5 1 2 3 7 8 30 7 3 3 2 3 8 5 3 2 4 1 3 2 1 1 1 1 1 2 7 2 1 1 1 2 2 3 2 1 1 1 2 7 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 6 3 2 1 1 1 2 2 1 1 1 2 9 6 2 1 1 2 3 6 4 2 2 3 4 10 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3 3 2 6 6 5 3 2 3 1 0 2 4 2 100 20 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 s 1H | 76 76 m 2H | 75 74 m 1H | 74 73 m 1H | 51 51 t 2H J 8 | 25 25 p 1H J 58 | 24 24 s 2H | 11 10 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C)(C)CNc1cnc(Cl)nc1C(N)=O
ir: 1 1 1 1 1 2 1 1 1 1 3 4 10 6 1 2 1 1 5 4 3 4 10 4 1 3 1 1 1 2 6 2 7 29 36 29 48 17 5 10 5 2 4 5 3 3 2 4 2 1 1 2 1 2 2 1 1 1 2 5 1 1 1 2 1 0 1 1 1 0 1 1 2 1 2 1 1 1 1 1 1 6 4 3 1 1 2 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 0 1 1 1 2 7 4 4 7 1 2 1 2 2 5 3 2 3 6 10 6 9 7 2 1 1 1 2 3 4 34 19 100 17 9 1 0 2 2 0 1 5 1 0 1 7 5 1 6 58 15 2 5 9 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 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 0 2 3 3 2 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 4 34 9 5 3 3 9 10 48 12 6 5 2 27 36 10 2 2 3 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0; 1HNMR: 85 85 s 1H | 73 73 t 1H J 61 | 70 70 s 2H | 38 37 d 2H J 62 | 33 32 s 3H | 13 12 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(F)cc1C(C)=O
ir: 6 5 1 3 6 3 1 3 5 3 2 4 9 5 1 4 4 1 0 5 16 12 3 4 7 5 10 11 6 3 1 3 5 1 1 4 11 16 7 9 8 5 4 4 3 1 2 4 3 1 3 5 10 18 27 16 7 1 6 5 3 0 4 10 5 1 8 38 9 11 8 10 5 2 12 9 5 6 11 4 3 3 4 4 1 1 3 4 4 3 4 7 3 2 4 3 1 1 4 3 1 6 11 11 5 2 5 5 2 4 4 5 5 9 6 4 3 6 9 7 10 9 14 11 2 4 8 10 31 16 7 4 2 5 9 7 5 6 4 2 1 5 5 4 3 7 72 71 10 6 10 17 9 14 13 4 3 4 3 1 1 4 4 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 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 4 3 4 7 6 1 3 3 3 1 2 5 8 3 7 31 17 14 15 100 44 10 6 5 2 1 3 4 2 1 3 5 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 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 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; 1HNMR: 75 74 dd 1H J 27 121 | 72 71 ddd 1H J 26 88 101 | 70 69 dd 1H J 47 89 | 42 41 q 2H J 63 | 26 26 s 3H | 16 15 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1
ir: 3 2 4 5 4 2 1 3 4 1 1 3 4 4 1 3 5 5 9 2 6 4 13 4 4 1 1 3 3 0 2 3 10 1 2 4 15 13 1 11 34 4 4 5 4 6 12 58 10 1 3 5 2 0 2 4 2 1 5 8 3 1 8 4 12 7 18 20 14 4 4 9 3 6 10 6 2 3 5 4 5 4 5 3 2 5 3 9 5 2 4 3 3 6 5 19 11 4 5 4 2 4 4 4 3 11 14 5 3 3 4 7 4 4 11 5 5 5 10 4 3 3 6 7 2 4 9 6 6 4 4 2 2 4 3 3 1 2 3 3 25 9 7 5 8 2 2 1 1 2 2 1 7 4 34 3 2 2 3 2 20 43 3 1 2 2 2 0 1 3 1 0 1 2 1 0 2 3 1 1 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 3 2 6 7 7 10 4 6 5 4 5 9 49 21 17 100 16 30 8 4 4 2 2 3 1 1 2 2 1 1 2 2 1 2 6 13 1 3 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 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 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 0; 1HNMR: 85 85 s 1H | 75 74 dt 1H J 17 77 | 73 72 m 2H | 69 68 ddt 1H J 21 80 101 | 37 36 m 4H | 33 32 pt 1H J 28 66 | 30 29 ddt 1H J 35 53 126 | 29 28 ddt 1H J 35 53 127 | 23 22 dt 1H J 37 69 | 11 11 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)CNC(=O)c1ccccc1
ir: 4 6 4 4 3 2 3 3 4 6 6 7 4 3 2 2 2 2 2 3 4 5 5 7 7 7 9 3 4 12 4 13 11 9 36 64 100 27 17 14 6 4 3 5 7 2 3 3 5 4 4 8 4 2 3 4 6 6 6 3 4 3 4 3 2 2 20 11 9 3 2 4 2 1 1 1 2 3 2 3 3 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 3 5 11 5 3 2 2 2 2 1 2 2 1 1 3 2 3 10 16 8 8 8 13 11 21 20 8 12 15 21 63 8 12 10 12 13 6 15 16 11 5 5 2 9 21 63 76 74 76 24 59 62 17 4 3 1 1 4 3 1 1 2 1 1 6 8 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 4 5 4 4 3 2 4 3 2 8 48 20 6 25 91 45 7 5 1 3 1 1 1 1 1 1 1 1 1 2 2 3 3 2 3 3 8 17 36 61 33 8 5 5 3 2 3 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 79 78 t 1H J 60 | 78 78 m 2H | 75 75 m 1H | 75 74 m 2H | 41 41 d 2H J 60 | 37 36 s 2H | 28 27 m 2H | 27 26 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1nc2c(N3CCOCC3)ccnn2c1C1CCN(C(=O)OC(C)(C)C)CC1
ir: 2 4 5 3 2 1 2 1 3 2 6 2 1 1 1 1 4 1 1 0 0 1 1 0 1 1 1 0 0 2 2 3 2 1 1 1 1 1 1 0 0 1 1 2 1 1 1 0 1 1 1 1 1 2 3 11 6 6 8 3 4 4 14 4 3 4 1 2 3 29 15 2 3 15 1 2 1 1 0 0 1 1 1 1 1 3 6 2 2 1 1 1 1 1 2 5 2 3 7 5 4 3 3 8 6 17 13 5 10 8 18 15 49 22 4 16 8 10 32 11 3 3 5 14 14 18 9 17 4 35 23 9 4 7 3 2 5 3 3 3 1 1 2 1 2 2 12 2 1 1 0 1 1 0 0 2 16 1 1 1 0 0 0 0 1 0 0 1 0 0 1 1 1 17 3 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 2 1 2 2 2 2 3 5 6 5 12 11 13 10 12 4 5 8 7 16 53 100 39 14 18 6 7 4 1 2 2 1 0 1 1 2 1 2 6 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 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: 85 84 d 1H J 68 | 71 71 d 1H J 66 | 40 39 ddd 2H J 50 78 126 | 38 38 m 4H | 37 36 ddd 2H J 50 78 121 | 34 34 s 1H | 32 32 m 4H | 31 31 p 1H J 44 | 23 22 m 2H | 20 19 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccccc2N(C(=O)CBr)c2ccccc21
ir: 3 2 1 2 3 2 1 3 5 2 1 4 6 3 2 7 3 1 2 6 8 25 4 3 4 1 2 7 11 8 4 4 4 2 5 4 13 29 6 10 41 47 41 17 14 7 5 4 4 2 4 4 2 0 1 3 1 4 2 2 1 0 1 3 1 0 2 3 3 1 7 3 2 10 5 7 2 0 2 2 1 1 3 6 3 1 3 3 1 1 5 6 1 2 6 8 2 1 3 3 4 3 4 6 10 3 3 2 1 3 10 5 0 2 4 3 0 2 3 3 3 4 5 2 1 3 5 3 100 13 4 2 0 3 3 1 6 8 3 2 1 5 6 12 4 8 4 25 40 31 3 1 3 29 12 3 6 7 4 7 4 21 4 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 2 3 2 1 2 3 2 1 3 4 5 6 4 80 37 14 5 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 6 3 3 7 18 22 3 5 5 2 2 2 3 2 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 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 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 99 99 s 1H | 81 81 dd 1H J 16 84 | 77 77 m 1H | 76 76 dd 1H J 14 82 | 76 75 ddd 2H J 15 74 149 | 74 74 td 1H J 15 81 | 73 73 td 1H J 14 80 | 73 72 td 1H J 14 76 | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(C(=O)CN)C2
ir: 1 1 1 1 1 2 2 2 1 1 3 2 2 9 1 3 5 5 2 1 2 1 1 0 2 1 1 1 1 2 4 1 1 2 5 3 1 1 2 3 3 2 0 1 1 1 0 1 1 1 5 3 4 6 2 5 7 2 3 5 2 1 1 4 2 0 2 3 4 6 1 2 1 9 26 1 7 3 1 0 2 4 1 2 2 1 1 1 2 1 2 1 1 1 0 7 1 0 0 1 1 1 0 0 3 1 0 1 4 1 10 4 0 2 1 1 2 2 2 1 1 3 14 12 4 1 7 4 5 2 0 6 7 100 10 7 3 3 1 0 1 8 7 1 0 1 1 3 14 14 2 0 5 3 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 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 1 1 1 2 1 1 2 2 9 2 1 10 15 2 1 1 0 0 0 0 0 0 1 1 2 2 7 4 2 5 1 1 2 34 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 22 | 79 79 dd 1H J 21 85 | 72 71 d 1H J 85 | 47 46 hept 1H J 57 | 46 46 s 2H | 45 44 t 2H J 70 | 37 37 m 2H | 37 36 t 2H J 70 | 28 28 m 2H | 26 25 s 2H | 14 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(C(F)(F)F)c(N)c1
ir: 11 12 18 15 11 41 9 17 16 12 12 5 5 6 8 9 6 8 8 3 2 5 6 5 2 6 8 2 2 5 6 1 2 7 6 3 5 16 9 4 3 6 5 2 3 6 5 1 4 8 3 1 4 9 10 5 3 5 3 0 4 6 4 3 9 13 26 7 8 8 5 5 5 7 4 3 6 5 8 8 11 8 2 2 5 4 4 9 11 8 2 2 5 4 2 7 10 12 30 20 17 31 7 3 5 4 3 25 27 7 14 17 7 3 1 3 6 3 1 7 9 11 2 7 13 7 2 4 5 3 1 4 6 3 2 5 6 3 10 11 5 4 3 5 5 3 2 5 4 3 4 14 22 20 8 9 11 19 26 33 15 8 5 10 24 7 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 3 5 3 2 3 5 4 2 3 5 4 2 3 5 4 5 6 11 15 23 29 7 4 3 4 6 3 1 3 4 3 2 4 5 4 2 9 52 76 8 11 11 4 19 32 12 6 6 10 78 100 16 7 5 3 3 4 4 2 3 6 4 1 3 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 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 2 4 3 1 3 4; 1HNMR: 76 75 dq 1H J 25 75 | 62 61 dd 1H J 23 76 | 61 60 d 1H J 21 | 56 55 q 1H J 48 | 49 48 s 2H | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OCC
ir: 4 4 4 8 6 13 3 2 5 5 2 1 0 1 1 1 2 2 10 6 7 7 29 8 4 1 0 1 1 1 2 7 5 5 1 2 1 2 1 4 4 7 4 9 12 4 2 2 2 1 2 1 1 1 1 1 2 1 2 1 1 2 4 1 3 1 1 2 3 2 2 7 9 7 19 11 14 61 100 13 4 5 3 4 4 3 2 5 2 6 2 2 2 1 1 1 0 0 2 1 1 1 3 3 2 3 10 8 6 10 11 6 3 15 4 13 9 6 13 27 10 6 4 5 4 10 3 6 14 8 9 6 38 18 17 5 4 9 6 7 19 15 6 14 6 32 7 3 1 2 2 3 12 2 1 1 1 1 1 1 29 1 1 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 2 2 3 1 1 1 2 3 2 2 2 4 3 11 4 42 28 41 21 4 5 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 0 0 0 0 0; 1HNMR: 73 73 dp 2H J 14 80 | 67 66 m 4H | 66 65 ddq 2H J 10 81 152 | 63 63 ddt 2H J 11 35 59 | 42 41 q 4H J 71 | 20 20 q 6H J 11 | 20 19 t 6H J 12 | 12 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)c1ccc(Cl)c2nc3n(c12)CCN3
ir: 1 1 2 1 1 1 1 2 1 1 2 11 3 2 2 2 1 2 2 4 10 13 13 4 2 9 4 3 17 9 16 3 7 4 3 2 9 3 1 3 1 1 2 0 1 1 1 0 2 3 1 0 1 1 4 8 2 2 1 1 2 2 1 2 1 1 4 0 1 2 1 1 1 2 1 0 1 1 1 1 2 2 1 0 1 1 1 2 1 2 1 0 1 1 0 0 1 1 0 1 1 2 0 2 1 1 1 1 3 3 2 5 4 4 24 13 8 5 14 2 2 3 3 1 2 2 0 1 8 12 1 1 1 2 1 3 51 1 0 1 1 1 1 1 21 4 4 58 2 1 1 1 1 1 1 9 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 0 1 1 0 0 1 1 0 1 2 2 0 1 1 1 2 2 1 1 1 1 2 1 2 16 4 9 12 3 1 2 3 1 1 1 0 1 1 0 0 1 1 1 1 1 3 2 1 2 3 1 2 24 100 8 2 2 0 1 1 2 0 1 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 d 1H J 90 | 72 72 dd 1H J 7 90 | 47 46 t 1H J 26 | 44 43 m 2H | 40 39 q 2H J 27 | 30 29 m 1H | 18 17 dqd 2H J 61 70 130 | 16 15 dqd 2H J 60 69 130 | 9 8 td 6H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC1(C(N=[N+]=[N-])C(=O)OC(C)(C)C)CCN(CCc2ccccc2)C1=O
ir: 18 6 6 11 12 6 15 10 13 19 24 14 5 3 10 8 9 11 6 3 10 7 3 7 4 3 3 5 6 11 21 10 30 45 11 28 10 27 17 25 75 38 12 9 5 6 2 2 2 2 2 3 2 3 4 2 3 2 10 5 10 7 5 9 10 3 15 14 8 18 6 5 7 10 5 5 6 15 13 7 6 13 4 5 3 5 5 7 10 10 12 12 3 2 3 4 4 10 15 15 4 9 8 7 5 7 44 23 7 4 10 7 2 17 12 8 8 13 16 25 27 23 9 10 9 9 25 17 20 14 29 40 11 7 7 26 13 11 1 4 5 3 6 33 35 15 100 18 69 19 5 15 3 3 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 1 0 1 1 1 2 1 2 2 4 5 3 5 6 6 4 8 6 11 8 15 19 28 43 38 31 41 18 10 7 4 2 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 73 72 m 3H | 39 39 s 1H | 36 35 m 2H | 31 30 ddd 1H J 27 45 123 | 30 29 ddd 1H J 26 44 121 | 29 29 tt 2H J 8 54 | 20 18 m 3H | 17 16 m 2H | 14 14 s 7H | 10 9 m 3H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc[n+]([O-])c(C)c1C
ir: 2 6 8 4 1 5 6 3 2 3 3 2 1 3 3 2 1 3 3 1 3 4 3 5 16 5 6 29 34 29 24 18 30 39 35 19 8 4 8 7 3 2 2 2 2 2 2 2 2 3 3 1 1 3 2 3 2 4 3 2 2 4 6 4 4 4 8 10 5 16 10 8 12 16 10 10 8 6 9 5 7 6 3 3 3 2 2 3 3 3 8 5 6 8 17 4 4 4 2 2 3 3 2 2 4 3 5 4 14 6 4 4 8 8 7 6 10 6 8 6 5 6 9 5 4 3 5 5 4 5 9 8 9 4 4 5 4 4 4 2 2 4 9 21 28 48 6 6 4 4 5 98 100 27 5 6 4 1 2 6 8 8 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 1 3 2 2 3 5 6 6 3 4 3 5 4 9 6 10 8 12 20 21 55 99 77 42 34 8 6 5 4 6 3 3 4 4 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 43 43 d 1H J 64 | 40 40 d 1H J 62 | 39 38 q 2H J 62 | 24 23 s 3H | 14 14 s 3H | 14 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccnc1C(=O)c1cccc(Cl)c1
ir: 9 21 9 15 3 5 3 3 6 5 4 5 13 3 2 5 1 3 3 2 2 1 1 1 1 2 3 8 9 7 4 5 5 37 11 6 39 10 15 14 36 4 13 15 6 4 3 37 27 3 3 3 2 1 1 1 2 2 6 2 3 3 25 11 4 5 2 5 4 5 7 5 2 1 2 4 4 3 5 4 10 4 3 1 2 4 6 5 2 1 1 1 2 3 1 1 1 1 1 5 9 2 2 1 1 1 2 2 3 2 18 9 3 7 4 4 8 33 15 8 7 3 4 15 12 8 5 6 35 39 7 3 3 2 2 6 6 42 11 4 48 10 7 7 15 41 2 9 10 6 23 7 6 6 47 71 8 6 6 3 2 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 6 6 8 12 100 55 8 5 2 3 3 1 1 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 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 0 0 1 1 0 0 1 1 0 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; 1HNMR: 89 89 dd 1H J 21 45 | 83 83 dd 1H J 21 80 | 79 79 t 1H J 22 | 79 78 ddd 1H J 12 22 79 | 76 75 t 1H J 80 | 75 74 m 2H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=N\O[C@@H]1CCCC[C@H]1C)c1csc(N)n1
ir: 2 11 19 19 22 16 20 14 7 11 16 21 12 6 9 13 6 3 7 9 9 2 5 8 8 3 3 3 2 2 3 7 2 8 6 1 6 2 2 4 1 3 4 1 2 3 3 5 4 1 3 2 7 2 2 3 2 2 2 5 1 1 1 1 2 3 1 14 5 3 3 3 2 2 6 2 1 1 3 2 4 4 7 13 24 3 4 3 4 5 4 6 2 2 3 3 1 1 1 3 2 3 5 17 39 6 7 12 20 4 9 11 4 8 3 4 4 5 3 3 2 3 3 1 1 1 2 5 14 5 28 4 2 7 7 2 1 1 0 1 1 0 1 1 1 3 3 75 5 2 12 17 78 5 6 3 1 1 1 2 2 6 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 0 1 1 1 1 2 2 2 1 1 3 3 4 8 3 4 1 5 5 22 29 7 3 1 8 26 20 9 3 2 1 1 1 2 1 1 1 2 2 3 9 10 100 28 16 18 9 9 9 7 20 19 53 96 51 18 18 6 9 7 8 12 14 12 9 10 8 4 2 1 1 1 1 1 1 1 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; 1HNMR: 70 69 s 1H | 66 66 s 1H | 44 43 q 2H J 71 | 39 38 ddd 1H J 37 64 77 | 20 19 m 1H | 18 15 m 7H | 15 13 m 5H | 9 9 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
ir: 2 2 1 2 3 2 6 3 3 2 5 4 2 3 10 5 9 1 2 3 5 9 3 2 2 1 1 2 4 15 18 20 5 5 6 7 14 15 16 14 4 9 4 5 3 4 1 1 1 3 6 2 4 5 9 22 42 6 4 5 3 3 1 2 4 2 2 4 3 2 2 2 1 0 1 1 0 0 1 1 0 0 1 2 1 1 5 11 3 3 1 3 3 7 7 3 5 8 6 8 3 1 1 2 0 2 5 3 7 7 3 4 4 3 4 7 10 10 7 8 27 16 22 22 13 7 5 3 2 5 6 12 8 10 23 13 6 1 1 1 3 3 3 7 57 18 17 8 11 11 11 8 4 10 5 57 31 14 4 2 2 2 4 100 19 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 5 4 3 5 4 3 2 3 3 10 21 12 33 21 26 10 4 4 2 1 1 1 1 1 1 1 1 0 1 1 2 4 3 4 6 6 6 17 37 18 17 11 6 3 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0; 1HNMR: 95 94 s 1H | 78 78 dt 1H J 9 20 | 78 78 dd 1H J 19 87 | 71 70 d 1H J 87 | 38 37 m 4H | 29 29 m 2H | 27 27 m 2H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1cc(Sc2ccccc2F)ncn1
ir: 2 2 2 2 3 2 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 7 23 29 4 2 2 2 3 4 21 3 2 2 2 2 2 2 2 3 6 2 2 2 2 2 2 2 2 2 2 4 12 12 4 4 2 4 3 3 3 2 3 3 5 4 2 5 2 3 6 4 4 2 2 2 2 2 5 4 2 2 2 2 2 2 2 2 2 2 2 1 6 2 2 2 2 3 5 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 3 9 2 2 2 5 5 3 5 6 96 4 2 2 2 3 3 4 5 3 3 3 2 3 3 0 1 100 17 7 3 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 5 11 29 7 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 14 | 75 74 ddd 1H J 21 36 74 | 74 73 m 2H | 71 71 ddd 1H J 17 70 102 | 65 65 d 1H J 14 | 49 49 q 2H J 25 | 19 18 t 3H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc34)CC2)c1
ir: 8 3 5 2 11 8 4 1 2 1 1 1 2 1 2 1 1 0 1 1 4 14 2 2 12 10 9 32 21 42 17 10 8 4 5 6 7 5 9 3 3 5 3 20 74 77 12 6 32 4 4 8 2 15 1 2 2 5 3 2 5 5 3 20 6 3 2 4 7 5 3 5 7 17 12 9 14 2 7 1 2 4 2 6 23 5 6 4 1 1 2 2 2 1 2 2 6 4 1 4 1 4 3 3 3 3 3 18 6 4 4 6 5 7 10 1 3 2 19 8 7 4 2 3 3 5 5 17 3 3 6 3 2 3 2 6 17 77 16 3 5 10 20 7 34 60 35 12 21 50 57 14 5 4 10 6 17 39 6 4 2 7 14 2 1 1 1 5 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 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 1 1 1 2 2 1 1 2 1 3 1 2 2 1 3 2 4 6 40 13 28 100 59 17 6 4 3 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 2 6 28 59 51 28 9 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 2H J 15 87 | 82 81 dd 2H J 16 74 | 78 77 td 2H J 13 71 | 77 76 ddd 2H J 13 70 84 | 72 72 dd 1H J 74 82 | 70 70 ddd 1H J 11 22 82 | 66 65 t 1H J 22 | 65 65 ddd 1H J 13 22 73 | 53 53 d 1H J 79 | 39 38 dp 1H J 57 80 | 35 35 m 4H | 33 33 m 4H | 11 11 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(F)(F)c1ccc(CO)cc1
ir: 9 3 4 4 0 6 2 3 4 2 3 1 9 13 8 19 8 6 4 3 11 12 28 15 10 4 3 5 6 4 2 1 2 1 1 1 1 1 1 1 2 1 2 4 2 2 4 6 5 8 12 18 28 18 31 14 20 6 10 3 4 0 2 2 8 2 4 1 4 3 5 1 11 21 12 14 7 11 7 7 6 6 11 20 40 74 58 52 31 40 26 10 23 12 11 9 2 3 5 4 3 10 7 6 7 4 1 4 4 2 3 33 8 29 11 9 25 8 11 8 21 10 24 11 10 24 33 29 12 11 5 5 3 1 1 1 1 1 0 0 0 1 1 0 1 1 1 10 15 26 10 3 10 22 8 2 1 0 1 1 0 0 0 0 0 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 3 3 1 3 2 2 1 2 3 4 7 8 10 12 20 18 12 100 37 98 52 6 6 4 10 10 9 28 4 2 2 1 2 1 1 0 1 1 1 0 0 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dt 2H J 17 75 | 73 73 dt 2H J 9 75 | 47 46 dt 2H J 9 57 | 28 28 t 1H J 57 | 27 26 dtt 1H J 37 84 167 | 11 10 dt 6H J 35 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)c(I)cc1OC
ir: 3 2 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 1 2 1 1 2 2 2 2 3 7 4 1 1 1 1 0 1 1 1 2 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 3 2 3 5 13 3 4 28 54 22 22 4 10 4 4 2 1 2 2 1 0 1 1 1 1 2 3 6 16 6 3 1 1 2 1 0 1 16 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 2 2 1 1 1 2 1 1 3 2 1 0 1 2 2 2 7 4 0 1 1 1 0 0 1 1 1 3 1 1 2 19 46 9 5 2 1 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 4 1 7 7 19 100 21 5 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 s 1H | 71 71 s 1H | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@H](O)C[C@@H]1CO1
ir: 5 4 1 1 2 0 1 1 2 1 0 1 1 1 0 1 2 1 1 1 4 2 1 2 2 3 3 3 1 1 1 1 1 1 1 2 4 10 5 2 1 1 0 0 1 1 1 1 0 0 1 1 1 1 3 1 2 1 1 0 1 1 2 1 1 1 3 2 5 8 6 18 3 9 4 2 5 5 2 2 1 3 2 4 5 13 28 13 20 13 4 5 7 3 2 2 1 1 1 1 0 0 1 1 0 1 2 2 5 3 1 1 0 1 2 2 1 2 3 2 2 2 4 2 2 1 1 3 1 4 2 5 2 2 3 1 3 4 3 2 0 2 1 1 0 0 1 1 2 1 2 0 0 0 0 0 1 1 2 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 0 2 1 2 2 1 1 1 2 3 1 5 6 8 5 3 6 3 3 3 5 5 4 6 24 43 100 8 8 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 57 m 1H | 52 51 ddt 1H J 13 24 163 | 51 50 m 1H | 41 39 m 1H | 33 32 tdd 1H J 22 31 70 | 29 29 d 1H J 64 | 28 27 dd 1H J 23 76 | 25 25 dd 1H J 31 75 | 23 22 dddt 1H J 14 71 86 145 | 21 19 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1Nc1ncc(Cl)c(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1
ir: 3 2 7 8 6 4 3 3 9 4 2 4 3 2 2 3 2 4 2 5 5 5 5 3 7 3 5 6 3 3 5 4 3 1 2 3 2 2 3 3 2 6 28 13 14 8 7 6 11 4 2 8 6 49 20 4 3 2 1 1 1 1 1 1 1 2 6 6 3 2 3 1 2 2 2 5 6 4 1 1 1 2 1 3 2 2 6 4 3 2 1 1 1 5 19 8 6 5 2 5 5 3 1 2 7 24 10 2 1 1 6 5 3 6 8 2 1 1 3 2 3 1 3 1 0 4 2 1 5 1 1 1 1 1 2 7 5 3 3 1 2 3 2 1 6 3 6 100 38 18 10 49 27 25 12 2 37 9 13 11 6 5 4 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 1 1 1 0 0 1 1 1 1 1 2 0 4 3 9 6 13 2 3 2 1 1 1 1 1 1 1 1 0 1 2 3 5 7 29 7 5 4 4 9 25 21 18 23 13 11 50 4 2 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 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; 1HNMR: 85 84 s 1H | 83 83 s 1H | 81 81 s 1H | 78 77 t 1H J 21 | 76 75 ddd 1H J 13 22 77 | 74 74 dd 1H J 14 77 | 74 73 dd 1H J 75 104 | 73 72 ddd 1H J 12 23 103 | 71 70 m 1H | 69 69 td 1H J 13 75 | 69 68 dd 1H J 14 79 | 40 40 s 2H | 37 37 m 4H | 36 36 dd 4H J 46 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@H]1C[C@@H](c2ccccc2)CN(C)C1
ir: 2 2 2 3 4 11 6 2 2 5 8 2 2 2 5 12 6 3 3 2 1 2 1 1 2 2 3 2 2 4 9 27 4 3 2 2 2 2 2 2 7 38 9 2 2 2 2 1 2 3 7 10 7 3 5 4 3 3 2 5 6 10 2 2 2 3 3 19 13 15 8 1 2 27 12 13 12 9 8 11 12 13 35 24 8 2 2 2 13 14 4 10 7 3 2 4 10 9 10 18 9 4 4 3 4 4 4 3 3 7 6 3 3 2 2 3 2 3 1 2 5 6 2 4 5 3 2 5 7 2 1 2 4 4 15 8 9 1 1 2 2 2 8 30 21 5 4 3 1 1 1 16 15 1 1 1 1 0 1 3 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 2 2 2 2 4 5 8 7 4 15 100 39 8 4 0 3 3 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 3H | 72 72 m 2H | 38 37 dtdd 1H J 18 31 38 49 | 32 32 d 3H J 14 | 30 29 dd 1H J 32 115 | 29 28 m 1H | 28 27 m 2H | 26 25 dd 1H J 49 115 | 24 23 s 2H | 22 22 ddd 1H J 46 55 139 | 20 19 ddd 1H J 74 83 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Cl)c(Cl)c1
ir: 0 23 50 26 9 32 44 23 9 39 42 19 6 34 41 19 8 32 69 65 10 31 36 13 11 48 45 14 13 33 32 11 14 41 39 12 15 35 29 9 17 37 28 7 18 38 26 6 19 39 26 10 60 72 59 13 27 42 22 3 24 40 22 52 49 58 32 13 32 40 19 19 43 41 17 9 29 36 23 14 32 54 80 100 45 51 39 16 33 31 11 19 54 75 10 17 35 29 10 23 37 27 7 19 38 26 6 20 40 25 7 26 47 27 4 22 40 22 5 24 39 21 7 25 44 26 9 27 36 18 10 28 34 16 12 29 33 26 35 34 33 13 12 32 31 12 14 33 33 17 21 39 33 22 17 35 27 9 18 41 30 9 20 37 24 7 21 38 23 6 22 40 22 6 23 38 21 7 24 37 19 8 25 36 18 10 27 34 17 11 28 33 16 12 29 32 15 13 30 31 14 14 31 29 13 16 32 28 12 17 33 27 11 18 34 26 9 19 35 25 8 20 36 24 7 21 37 22 6 22 37 21 8 23 36 20 9 25 35 19 10 26 34 18 11 27 33 17 12 28 32 16 13 29 30 15 15 30 29 14 16 31 28 13 17 32 27 12 18 34 27 12 19 34 25 10 20 35 26 11 23 36 23 9 23 40 37 74 55 38 23 10 24 34 20 11 25 33 19 12 26 32 18 13 27 31 17 14 28 30 16 15 29 29 15 16 30 28 14 17 30 27 14 18 31 26 13 19 32 25 12 20 33 24 11 21 34 23 10 22 35 22 9 22 34 21 10 23 33 21 11 24 32 20 12 25 32 19 13 26 31 18 14 27 30 17 15 27 29 16 16 28 28 16 17 29 27 15 18 30 26 14 19 31 25 13 19 31 24 13 20 32 24 12 21 33 23 11 22 34; 1HNMR: 78 78 d 1H J 95 | 74 74 d 1H J 22 | 73 73 ddd 1H J 9 23 96 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c3c([nH]c2c(Cl)c1Cl)C(=O)NCC3C
ir: 15 6 6 3 3 4 7 8 7 2 3 3 4 4 1 8 4 4 4 5 7 3 2 6 4 1 1 8 25 42 29 49 100 13 6 0 1 5 7 5 2 4 3 3 9 13 5 11 3 3 3 1 1 2 2 1 3 2 2 3 2 2 2 1 2 4 6 8 11 3 2 2 3 4 2 2 2 2 1 2 2 2 1 1 2 4 9 1 2 2 1 2 4 2 2 2 3 2 1 2 2 10 1 2 2 3 3 4 3 1 2 2 2 2 2 3 7 10 6 6 4 3 9 8 4 7 1 68 10 4 3 1 1 4 13 6 2 2 2 2 5 20 19 2 16 2 1 2 2 1 2 2 2 4 11 3 2 0 2 52 1 7 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 2 1 1 3 2 3 2 2 4 2 6 16 7 2 2 2 2 1 1 2 2 1 2 3 1 1 1 2 3 3 3 3 6 6 22 36 20 22 63 23 4 3 2 1 3 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 95 94 s 1H | 72 72 s 1H | 55 55 t 1H J 51 | 39 39 s 3H | 38 37 ddd 1H J 38 51 123 | 35 34 ddd 1H J 39 50 123 | 34 33 qt 1H J 39 63 | 15 14 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncc2c(n1)N1CCOCC1CN2
ir: 26 39 7 3 1 4 5 1 3 13 6 3 2 4 5 1 3 7 3 18 12 3 1 1 2 1 1 1 2 1 1 1 1 1 3 4 7 6 5 15 39 6 1 3 4 1 2 2 2 1 2 3 2 1 1 5 2 2 1 1 1 1 2 11 2 4 3 8 1 1 3 3 1 4 6 11 2 1 1 1 1 1 1 1 2 3 8 1 4 3 1 1 3 2 2 1 2 3 4 5 2 2 2 2 8 4 4 3 2 1 1 1 4 4 3 2 1 3 2 2 2 3 3 5 3 3 2 4 8 3 2 3 4 2 1 13 17 3 2 30 100 23 17 13 1 3 2 0 0 3 4 26 2 2 1 1 1 2 1 1 6 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 6 19 20 23 17 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 s 1H | 53 52 t 1H J 53 | 43 42 p 1H J 43 | 41 40 m 2H | 39 37 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COc2ccc(-c3ccc4c(c3CO)C(C)=CC(C)(C)N4)c(OC)c2)cc1
ir: 13 18 11 4 11 1 1 16 7 3 3 4 10 7 4 4 3 4 5 5 5 3 1 2 1 3 1 3 2 2 2 3 5 2 1 1 1 1 1 3 2 1 1 2 2 2 1 1 2 3 1 5 14 17 22 28 12 8 7 1 3 15 5 5 3 0 8 13 17 14 6 4 6 4 3 2 1 1 2 2 1 2 2 11 13 6 14 27 11 19 9 6 10 4 7 6 5 2 1 2 0 1 1 4 5 3 2 4 2 1 0 1 1 1 0 1 1 1 2 2 2 4 2 1 1 4 4 6 4 2 2 1 1 1 3 1 1 4 9 38 94 7 3 1 4 1 2 9 10 6 2 2 4 22 6 1 6 2 1 1 4 21 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 1 0 1 2 1 1 8 10 10 13 63 19 7 3 5 1 2 2 6 3 1 0 0 1 1 0 0 1 1 0 3 13 19 10 100 12 3 2 3 2 2 1 1 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 dd 2H J 81 88 | 73 73 dt 2H J 9 83 | 69 69 m 2H | 68 68 m 2H | 66 65 d 1H J 23 | 55 55 dq 1H J 13 24 | 52 51 d 2H J 60 | 50 49 t 2H J 9 | 42 41 t 1H J 59 | 40 40 s 1H | 39 39 s 2H | 38 38 s 2H | 20 20 d 3H J 14 | 13 12 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)(CC)CN1CCC(COc2ccc(Br)c(C#N)c2)CC1
ir: 6 7 8 6 3 5 4 4 7 7 8 9 4 12 7 4 0 3 4 3 2 1 2 3 2 18 10 6 2 3 2 2 1 1 2 1 4 4 4 8 8 4 4 2 2 4 4 5 3 3 5 4 12 36 23 15 4 4 9 5 8 5 6 6 7 12 25 31 13 13 28 18 6 3 21 31 16 29 48 37 34 17 80 44 26 26 19 19 43 19 12 20 19 17 3 5 12 10 4 11 3 9 5 7 9 17 18 7 13 21 7 3 4 4 3 3 6 13 11 9 2 2 6 8 9 7 8 8 6 1 2 3 4 4 6 8 8 3 7 23 2 2 1 2 1 1 2 5 2 1 7 6 5 6 6 2 1 1 2 1 25 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 2 0 1 1 1 1 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 8 9 7 5 6 11 9 9 9 11 15 10 6 17 22 28 12 27 71 48 6 16 9 16 9 64 100 66 28 16 7 8 7 3 8 5 8 10 4 4 5 5 6 4 4 8 5 4 5 6 4 4 5 2 2 2 1 3 2 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 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; 1HNMR: 76 76 d 1H J 88 | 72 72 d 1H J 22 | 69 69 dd 1H J 22 88 | 40 40 d 2H J 51 | 34 34 s 1H | 30 29 ddd 2H J 51 77 120 | 29 28 m 2H | 29 28 s 2H | 21 20 m 1H | 20 19 dddd 2H J 50 60 77 126 | 18 16 m 4H | 15 14 m 2H | 9 9 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.