Datasets:
DeerEyeRain
/
sel_dataset

Dataset card Data Studio Files Community
1
Output
stringlengths
5
127
Input
stringlengths
850
1.64k
Instruction
stringclasses
1 value
CC(C)c1cc(CCC(=O)O)c(C=O)[nH]1
ir: 2 3 4 8 4 16 21 5 6 6 4 6 15 9 7 5 5 8 9 13 78 80 3 9 9 3 1 3 4 2 3 4 3 2 2 3 2 3 3 6 4 6 4 4 2 2 56 79 9 4 3 2 3 1 2 2 2 3 3 5 2 1 2 2 1 2 2 3 1 2 6 11 9 9 8 11 15 56 100 0 6 34 7 3 6 5 2 2 2 3 6 3 2 5 7 8 3 12 17 36 2 3 3 5 4 3 5 3 2 2 3 6 1 2 3 5 7 5 11 7 6 10 5 3 3 4 3 5 3 5 12 4 3 5 3 2 4 3 3 3 4 2 7 55 20 11 7 9 4 3 2 2 2 1 2 2 2 6 20 2 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 2 1 2 2 7 3 2 3 2 3 3 3 4 3 4 4 6 7 25 5 2 2 4 18 14 2 3 2 2 2 14 18 2 2 2 2 2 2 2 2 2 2 3 2 3 2 17 46 20 10 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 64 63 q 1H J 9 | 32 31 pd 1H J 9 56 | 31 30 td 2H J 8 85 | 27 27 t 2H J 84 | 14 13 d 7H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccncc1)c1cc(Cl)ccn1
ir: 4 5 5 5 4 7 5 6 8 20 82 76 15 9 7 5 4 5 5 6 11 5 6 4 4 4 5 4 5 9 12 10 12 11 37 49 12 8 10 10 8 10 12 14 32 9 29 9 11 7 5 3 5 5 4 3 4 5 4 4 5 6 6 15 12 9 7 19 58 9 10 20 50 30 14 6 6 7 3 3 5 7 6 6 8 5 3 4 8 20 80 17 4 4 5 5 5 4 4 4 5 24 9 37 19 5 5 5 5 5 0 39 1 5 6 7 7 4 6 16 4 5 8 7 7 13 5 7 6 5 5 32 6 5 5 4 3 4 6 5 5 23 24 8 7 21 14 15 38 60 31 8 18 36 9 8 8 10 12 100 43 18 28 7 10 4 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 7 12 22 62 46 24 17 8 5 5 6 7 5 5 4 5 4 6 4 4 5 5 7 9 15 18 17 14 86 62 6 4 6 5 3 3 5 5 3 4 5 4 3 4 4 4 3 4 5 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 87 87 d 1H J 35 | 84 83 m 2H | 79 79 d 1H J 21 | 74 74 m 2H | 72 72 dd 1H J 21 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC1C(=O)OCC1(C)O
ir: 3 2 1 1 2 1 0 1 1 1 1 1 1 1 2 3 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 3 0 1 1 1 0 1 1 1 0 1 3 3 1 1 1 2 3 1 1 1 1 3 2 5 13 5 8 4 3 2 1 2 1 1 2 1 1 3 3 2 2 5 5 1 1 1 1 0 0 1 1 0 1 3 7 2 1 5 9 9 5 3 2 4 2 2 3 2 1 1 1 2 1 1 0 0 1 2 2 1 1 1 1 0 1 1 1 1 1 1 2 17 17 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 1 1 2 2 1 2 3 1 2 2 2 1 2 2 7 5 2 2 2 2 0 3 3 5 1 22 100 16 8 3 3 2 3 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 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 45 44 s 1H | 44 43 d 1H J 113 | 41 40 d 1H J 113 | 25 24 tq 1H J 15 68 | 19 18 dtd 1H J 68 82 137 | 16 15 dtd 1H J 67 82 137 | 15 14 ddt 1H J 69 83 137 | 14 12 m 9H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cc(I)sc1C1OCCO1
ir: 3 10 4 20 4 4 4 2 1 2 2 2 13 25 6 2 1 2 3 14 2 3 4 2 2 4 9 15 8 26 11 5 2 5 9 7 14 14 51 8 9 3 10 2 4 4 4 2 6 6 5 2 2 4 5 2 4 3 4 5 15 33 11 4 3 3 2 1 3 3 3 6 33 70 10 27 10 7 12 1 10 18 100 20 8 5 4 4 3 4 2 2 2 2 2 2 7 4 8 8 82 7 3 3 3 3 2 28 44 25 13 6 6 4 4 4 2 9 10 10 7 23 19 9 2 5 6 4 3 3 2 1 2 1 2 2 2 1 1 2 2 1 1 2 2 2 2 8 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 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 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 2 1 2 2 1 2 2 2 2 1 2 1 2 2 2 3 2 2 2 3 3 3 3 4 4 4 6 8 18 9 10 9 23 51 66 20 24 53 9 4 0 2 7 2 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 s 1H | 59 59 s 1H | 40 40 m 2H | 39 39 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/C(=O)Nc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(I)cc32)cc1OC(=O)/C=C/C
ir: 1 2 2 3 3 2 2 1 1 1 1 0 0 1 1 1 3 1 3 1 2 1 1 0 1 2 4 5 3 13 3 3 7 6 4 3 5 3 1 3 12 12 3 3 1 1 1 1 2 3 1 5 4 6 11 12 21 6 2 2 0 1 1 3 2 11 3 1 2 2 0 0 1 1 1 1 1 1 1 1 1 3 5 11 2 1 2 3 1 1 0 0 0 0 1 1 5 1 0 1 2 2 0 1 1 1 4 1 1 0 0 0 0 2 2 1 1 1 4 7 2 2 2 4 2 6 2 5 2 1 1 1 1 1 2 3 3 6 9 4 2 1 8 17 9 4 3 17 3 7 10 23 1 6 5 1 1 1 1 2 5 5 12 1 2 1 1 3 3 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 5 9 5 13 14 5 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 2 5 16 100 31 3 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; 1HNMR: 86 86 s 1H | 80 79 d 1H J 81 | 79 78 m 2H | 78 77 dd 1H J 22 81 | 77 76 dt 1H J 9 62 | 75 75 m 1H | 72 71 ddt 2H J 8 17 68 | 70 69 dq 1H J 57 141 | 69 68 dq 1H J 59 148 | 64 63 dq 1H J 15 139 | 59 58 dq 1H J 15 148 | 45 44 dq 2H J 8 53 | 20 19 dd 3H J 16 57 | 19 19 dd 3H J 15 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(CO)C(CO)C1
ir: 2 4 6 5 9 2 8 5 6 5 6 24 10 3 5 4 2 2 3 1 4 2 1 0 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 3 1 1 1 1 4 2 5 4 7 1 2 1 1 1 1 2 2 2 2 1 4 3 3 3 4 6 4 4 1 5 7 7 15 22 28 59 100 19 15 13 5 7 1 2 2 2 4 2 2 3 22 7 13 6 1 3 3 1 1 1 5 2 2 3 8 10 6 10 11 12 9 4 1 8 4 7 9 11 3 2 2 2 4 3 3 1 2 1 1 1 1 1 1 1 1 0 7 55 0 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 0 1 1 0 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 1 1 1 1 1 1 3 1 2 2 2 2 3 2 3 4 2 3 5 12 7 2 1 1 1 1 1 2 3 2 8 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 38 36 m 5H | 36 34 m 3H | 34 33 m 1H | 26 25 t 1H J 59 | 23 22 m 1H | 21 21 t 1H J 59 | 19 18 m 2H | 16 15 m 1H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cc(I)c3ccccc32)cc1
ir: 1 7 1 4 9 12 7 14 14 8 7 4 13 13 13 3 6 2 3 3 1 3 3 2 0 25 5 3 2 2 2 1 14 9 3 2 1 1 1 3 9 2 1 1 4 9 7 2 6 23 13 0 2 3 2 0 1 2 1 1 3 2 2 4 9 7 2 2 2 8 61 100 31 33 4 3 6 6 3 2 3 27 37 5 6 37 35 4 8 27 19 60 30 13 49 3 6 4 0 2 3 11 1 1 2 2 0 1 3 3 3 3 1 1 1 1 1 2 2 7 5 2 2 3 13 17 13 5 4 2 5 6 2 1 0 1 1 1 1 3 6 3 1 1 1 1 1 14 5 3 2 16 14 2 1 1 1 0 1 1 2 9 1 1 1 1 2 6 1 0 1 1 1 9 8 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 1 2 1 2 2 4 5 5 5 10 9 3 16 39 12 10 4 5 4 4 2 2 1 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 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 1 1 1 0 1 1; 1HNMR: 81 80 dd 1H J 15 62 | 80 79 m 1H | 79 79 s 1H | 78 77 m 2H | 76 75 ddd 1H J 13 66 76 | 74 74 td 1H J 14 68 | 72 72 m 2H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2nc(S)sc2c1
ir: 35 4 5 7 10 3 3 9 24 4 3 3 3 3 2 2 3 3 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 3 3 2 2 3 3 2 3 2 2 2 2 2 2 2 5 36 20 3 3 2 1 2 3 2 1 16 61 20 15 2 0 3 3 2 6 74 5 2 1 9 28 8 62 5 48 5 2 3 5 2 2 3 3 2 2 3 2 1 2 3 2 1 2 7 3 2 2 3 2 2 2 3 2 1 2 2 2 1 2 2 3 4 2 2 2 2 2 3 6 1 2 2 2 1 2 2 2 1 2 2 2 2 8 4 2 2 2 2 1 2 6 7 3 5 2 2 2 2 2 2 2 3 3 3 2 2 2 2 1 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 27 8 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 1 25 1 3 3 3 1 12 100 31 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1; 1HNMR: 75 75 d 1H J 82 | 72 72 d 1H J 22 | 71 70 s 1H | 69 68 dd 1H J 22 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2cccc(-c3ccccc3)c2)CCOCC1
ir: 2 3 1 2 2 1 1 1 1 1 2 3 6 3 3 2 1 1 0 3 2 1 0 1 1 1 1 5 6 7 17 22 19 6 2 2 2 0 2 18 57 63 10 4 4 7 15 13 19 2 1 1 0 1 3 7 5 2 1 1 2 1 1 2 2 3 11 6 17 11 5 4 3 3 7 31 5 1 3 2 4 2 1 0 0 1 0 1 1 0 0 1 1 1 2 1 0 0 1 2 1 1 1 0 1 0 0 0 0 1 0 1 1 1 0 4 7 3 7 8 3 1 3 4 6 3 3 1 7 4 2 8 6 4 7 10 2 3 2 5 16 80 23 14 13 2 2 3 1 2 1 8 7 3 2 3 2 1 1 2 2 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 3 10 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 1 0 0 1 1 3 2 2 3 2 2 3 2 8 15 10 23 16 20 100 18 13 3 3 0 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 3H | 76 75 m 1H | 75 74 m 3H | 75 74 m 0H | 74 74 s 1H | 74 73 m 1H | 40 40 ddd 2H J 36 62 108 | 39 39 ddd 2H J 36 63 108 | 24 23 ddd 2H J 37 63 139 | 21 20 ddd 2H J 37 63 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCCc1c(C(=O)OC)nc(Cl)n1-c1ccccc1
ir: 2 2 1 1 3 3 6 3 13 5 2 5 7 4 2 2 2 2 1 3 2 1 1 3 2 1 2 3 1 1 5 7 8 23 11 5 59 8 5 16 43 27 42 78 7 12 17 3 2 1 2 5 3 2 3 7 12 4 4 6 4 3 3 3 6 4 10 10 14 10 3 4 6 5 18 19 3 12 22 16 4 4 2 3 5 3 3 2 1 1 2 2 1 1 3 2 5 1 3 3 1 2 5 3 4 7 19 13 10 10 8 8 2 4 15 17 5 18 40 19 34 13 9 12 5 10 11 17 4 4 3 3 2 4 7 15 1 3 4 2 9 13 84 77 11 10 5 4 3 2 2 14 17 3 2 1 1 3 3 2 1 2 2 0 2 3 2 27 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 0 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 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 1 16 4 20 13 8 8 4 10 13 18 10 5 25 67 92 34 58 100 53 15 6 5 3 3 2 4 2 3 1 2 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0; 1HNMR: 74 74 m 3H | 74 73 m 2H | 39 39 s 2H | 34 33 t 2H J 59 | 33 33 s 2H | 28 27 t 2H J 77 | 19 18 m 2H | 18 17 ttd 2H J 9 59 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)COC1
ir: 5 4 6 4 2 3 11 6 2 7 8 8 8 13 54 23 8 16 10 8 3 9 12 43 6 9 36 6 4 10 8 7 11 8 6 4 4 6 6 3 4 7 6 24 39 24 27 7 6 7 8 4 12 18 13 25 15 10 7 2 12 11 7 3 6 7 4 1 4 7 3 2 4 8 3 4 6 5 6 3 3 5 2 3 4 5 3 2 4 4 2 3 12 13 8 4 8 9 28 13 6 6 23 17 12 4 0 3 8 4 1 5 6 3 1 5 13 7 7 7 12 7 7 23 13 8 8 56 23 20 5 17 19 8 20 9 83 21 5 19 7 14 10 26 9 9 4 24 12 35 6 11 25 3 3 100 46 8 4 32 5 1 4 7 12 1 3 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 1 1 4 3 1 1 4 4 2 3 4 3 1 3 5 4 3 3 6 5 7 11 13 15 17 32 10 15 4 5 6 3 2 4 5 3 3 3 4 2 3 6 8 4 5 34 14 40 54 62 59 38 22 12 15 8 3 4 5 2 2 3 2 1 2 3 2 2 2 3 2 1 2 5 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 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; 1HNMR: 98 98 s 1H | 81 80 dd 1H J 13 88 | 80 79 dd 1H J 11 84 | 78 77 t 1H J 86 | 76 76 s 1H | 74 74 t 1H J 40 | 61 61 s 1H | 41 40 d 2H J 103 | 38 38 d 2H J 103 | 37 36 m 2H | 31 30 m 2H | 24 24 s 3H | 15 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)c1oc(=O)c2ccccc2c1-c1cccc(N(C)C)c1
ir: 1 3 8 3 1 5 8 11 18 6 6 4 9 38 8 4 3 8 8 3 2 4 4 1 0 3 4 2 2 6 11 4 2 7 3 4 3 7 7 2 2 9 62 48 3 3 10 53 14 7 2 0 3 5 3 1 5 3 9 2 3 5 3 4 8 12 8 6 39 12 8 2 7 11 5 19 7 8 3 6 6 6 6 8 8 7 3 2 6 14 16 8 10 19 18 3 7 7 4 3 6 4 1 2 5 22 6 3 4 3 1 2 5 3 5 10 5 14 19 32 19 29 14 15 10 6 3 6 7 3 2 4 6 4 1 5 5 14 40 9 4 6 3 6 3 5 24 11 79 6 3 6 17 8 3 6 4 13 31 10 7 10 8 26 32 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 0 2 3 1 1 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 0 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 5 1 2 4 3 1 2 5 5 6 8 9 9 16 11 22 72 100 51 7 8 8 9 6 5 4 3 3 2 1 3 4 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 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 80 dd 1H J 16 81 | 76 75 m 2H | 75 74 ddd 1H J 20 75 82 | 74 73 ddd 1H J 12 21 79 | 73 72 m 1H | 68 68 t 1H J 22 | 67 67 ddd 1H J 12 21 75 | 49 48 q 1H J 73 | 29 29 s 5H | 19 19 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2ncc3c(C)nc(C4CCOCC4)n3n2)cc1
ir: 6 3 6 5 4 7 13 12 13 14 10 6 5 3 4 5 17 8 5 8 7 2 2 2 2 2 2 2 3 4 1 2 2 1 1 2 3 3 3 3 12 10 4 6 7 5 5 4 5 3 3 6 9 4 13 57 32 14 3 12 6 5 4 9 4 5 3 5 3 32 4 3 3 4 14 12 11 7 5 3 5 8 19 3 1 1 2 2 6 2 2 3 5 3 4 5 3 3 13 36 9 4 2 9 7 32 23 21 4 13 18 20 19 30 48 8 13 23 19 10 8 5 7 10 3 12 6 16 5 8 8 2 1 5 6 4 2 2 2 1 1 1 2 2 2 2 2 2 6 22 16 32 11 14 7 1 3 8 5 3 2 2 2 0 4 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 1 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 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 4 7 9 6 7 11 9 10 8 13 12 8 11 19 15 36 91 66 55 100 27 13 4 5 2 3 3 3 1 1 2 2 1 1 1 1 1 1 2 2 3 5 10 27 44 13 3 5 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 s 1H | 89 88 s 1H | 76 75 m 2H | 70 69 m 2H | 38 38 s 2H | 38 37 ddd 2H J 33 60 110 | 36 36 ddd 2H J 34 60 110 | 31 30 p 1H J 52 | 27 27 s 2H | 25 24 dddd 2H J 33 52 60 146 | 23 22 dddd 2H J 35 53 60 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)COc1cccc2onc(O)c12
ir: 4 4 5 5 5 11 7 5 11 20 21 32 6 7 8 35 52 16 10 5 5 5 5 5 6 4 4 4 4 5 5 5 4 4 4 4 5 5 5 4 4 4 4 5 5 4 10 21 11 9 5 4 4 5 4 4 5 6 5 5 7 5 8 4 6 8 6 5 8 9 9 5 5 5 10 7 10 18 4 5 6 5 5 4 5 5 5 6 10 41 23 5 4 5 5 5 4 5 4 4 4 4 4 5 6 6 4 5 5 6 5 5 6 4 4 5 6 6 3 88 0 5 6 5 5 5 5 4 4 5 5 4 9 6 5 4 4 4 5 7 15 8 8 4 4 4 4 4 4 5 8 5 4 4 4 4 4 18 46 6 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 4 4 4 5 4 4 5 5 5 5 5 6 8 4 7 32 15 5 6 6 6 9 100 55 7 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 74 74 t 1H J 78 | 70 70 dd 1H J 11 77 | 67 67 dd 1H J 12 78 | 39 39 d 2H J 51 | 20 19 dtt 1H J 50 71 143 | 10 10 d 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=O)c2ccc(F)cc2C2=C1SCC1(CCNCC1)O2
ir: 6 6 1 7 8 9 6 5 2 4 4 8 6 4 5 5 5 3 12 28 13 6 26 16 37 5 5 14 7 9 19 5 11 6 11 10 16 19 5 16 7 3 2 4 5 3 14 24 8 4 47 3 46 39 12 16 18 6 5 13 11 0 4 8 8 19 13 52 25 7 1 2 1 1 1 1 1 3 8 3 1 0 2 2 2 4 1 2 2 3 6 8 15 2 3 3 1 1 1 2 1 2 2 9 6 1 4 4 3 21 3 25 4 13 10 33 17 22 46 29 1 11 13 12 20 7 11 31 18 52 4 12 8 10 11 22 4 3 24 4 1 1 1 1 1 2 3 1 1 4 7 39 12 3 21 4 27 2 2 1 1 1 1 2 5 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 3 4 3 3 9 8 7 6 3 4 2 5 15 21 10 6 100 25 4 4 2 2 2 2 1 2 2 3 5 5 2 4 6 7 14 28 58 36 11 5 3 2 1 2 2 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 dd 1H J 49 81 | 76 75 dd 1H J 27 121 | 74 74 m 1H | 50 49 p 1H J 37 | 33 32 s 2H | 30 29 dddd 2H J 27 36 55 137 | 28 27 dddd 2H J 29 37 55 137 | 21 20 ddd 2H J 27 55 143 | 19 18 ddd 2H J 27 55 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1ccncc1N(C)C(=O)c1cccc(Cl)c1
ir: 4 3 1 2 4 4 6 2 2 2 1 2 3 2 1 2 6 2 2 13 2 2 1 2 2 1 2 2 2 1 1 2 3 1 3 3 4 18 26 7 7 0 39 19 4 3 6 7 14 3 2 2 2 1 1 2 1 1 2 2 1 1 1 2 2 1 2 4 6 3 2 3 19 10 11 3 2 5 4 3 2 2 6 3 2 2 3 3 1 5 4 2 2 2 2 2 1 2 2 2 1 1 2 2 1 3 2 1 2 2 2 6 10 2 3 2 1 3 2 2 1 2 4 5 2 3 3 3 13 11 6 2 2 3 2 4 9 8 15 17 7 3 3 3 4 7 12 24 7 4 3 2 4 7 3 2 2 3 2 1 2 9 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 2 4 6 5 4 9 100 40 4 5 3 2 1 2 2 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 dq 2H J 13 22 | 78 78 t 1H J 22 | 77 77 dd 1H J 13 76 | 77 76 ddd 1H J 12 21 82 | 76 76 ddd 1H J 13 22 80 | 75 75 t 1H J 82 | 75 75 d 1H J 50 | 74 74 m 2H | 73 72 m 1H | 33 33 s 2H | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(F)c1sc(C(OC)OC)c(C)c1Br
ir: 5 2 1 3 5 2 2 5 9 7 8 3 4 2 2 1 4 6 1 1 2 1 1 2 3 4 1 2 3 1 0 2 1 1 1 2 3 3 6 32 16 2 2 4 3 1 1 3 2 4 4 5 3 1 2 6 11 20 11 10 16 9 11 5 4 3 8 25 22 18 51 80 100 71 29 32 10 9 11 40 61 63 38 16 11 6 21 12 7 2 2 2 2 1 3 2 1 3 11 8 0 2 3 2 1 1 3 2 1 1 3 3 6 10 8 4 9 12 12 13 11 13 8 3 6 12 34 18 6 2 2 2 2 7 8 5 1 1 2 1 1 3 3 1 10 7 9 9 1 2 2 1 3 7 10 25 42 49 7 7 7 4 3 3 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 7 2 2 1 2 2 3 3 2 2 31 31 6 19 21 11 12 8 5 7 8 16 65 81 9 4 5 2 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 54 53 hept 1H J 14 | 50 50 d 1H J 33 | 50 49 d 1H J 33 | 49 48 dd 1H J 32 179 | 34 34 d 6H J 16 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1(C(=O)O)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
ir: 1 1 1 5 1 1 3 2 1 1 0 1 5 7 8 2 2 2 3 9 5 20 7 3 3 2 1 2 2 1 1 1 1 0 0 1 1 1 1 2 5 2 1 1 2 3 18 4 4 2 2 1 2 6 2 1 1 1 1 1 0 2 2 0 1 1 4 2 3 4 6 4 1 1 1 1 2 7 3 6 5 3 2 1 1 2 2 2 2 3 1 1 0 0 0 1 1 2 1 1 0 0 0 0 0 1 2 1 3 1 1 1 3 2 2 3 0 1 1 1 1 1 1 0 1 1 1 0 1 0 1 0 0 2 18 1 1 1 0 0 0 1 4 10 13 3 3 6 1 18 3 1 1 1 2 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 1 1 4 4 3 11 3 3 1 4 1 0 1 2 6 100 18 8 1 0 0 1 1 0 0 0 0 1 1 3 12 15 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; 1HNMR: 81 81 s 1H | 74 73 m 5H | 73 73 m 1H | 70 70 s 1H | 52 51 s 2H | 41 41 d 1H J 110 | 39 38 d 1H J 112 | 33 33 s 3H | 31 30 ddd 1H J 38 57 134 | 30 29 ddd 1H J 38 57 134 | 23 22 ddd 1H J 38 57 123 | 20 20 ddd 1H J 38 57 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)c1cccc(C(C)(C)C)c1
ir: 3 12 7 3 3 4 9 7 8 8 4 5 5 7 8 9 5 3 3 4 3 8 13 44 17 15 4 4 3 1 21 25 22 24 6 13 10 19 17 10 5 2 4 7 5 3 5 34 42 5 2 2 4 1 4 5 3 5 2 1 2 6 9 12 4 1 8 10 10 15 4 3 3 8 7 15 9 2 4 3 4 7 3 4 4 2 2 2 1 2 2 2 3 3 2 3 5 8 7 5 9 6 3 7 3 2 3 3 3 5 8 10 6 17 22 6 10 4 4 9 8 12 19 27 20 7 29 22 21 23 12 12 6 6 3 4 3 4 15 69 100 15 27 40 68 59 29 34 8 7 4 3 2 3 8 2 1 2 3 1 1 2 1 2 2 3 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 3 5 4 2 4 5 12 6 3 3 3 4 6 12 58 50 10 29 50 59 21 11 5 4 4 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 79 78 m 2H | 75 74 m 1H | 73 73 tt 1H J 10 70 | 42 41 q 2H J 66 | 41 40 s 2H | 13 13 s 8H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(-c2cc(C)ccc2Cl)nc(N)n1
ir: 16 8 0 19 15 8 8 9 14 8 4 2 4 12 7 3 4 4 8 10 7 10 6 5 3 4 2 9 12 7 2 8 6 10 10 14 34 24 23 4 8 10 10 9 6 2 4 1 5 3 4 4 10 17 6 4 1 1 2 2 2 1 3 3 6 12 16 10 6 3 6 8 6 2 1 2 1 1 7 3 3 2 1 2 1 1 1 1 1 2 2 1 1 1 1 2 3 5 2 1 1 1 1 2 6 6 4 7 5 2 1 1 2 2 1 1 5 2 3 6 2 2 2 3 5 4 3 4 4 3 3 1 4 3 2 3 5 11 15 4 23 70 70 27 17 34 80 100 51 42 10 3 8 19 7 3 3 31 82 27 7 25 37 10 5 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 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 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 2 2 3 6 30 39 19 11 5 12 5 5 2 2 2 1 1 1 2 2 3 2 7 15 11 15 10 8 17 20 47 24 18 6 6 19 89 42 3 2 1 2 2 1 1 2 2 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 76 75 m 1H | 74 73 d 1H J 70 | 72 71 m 1H | 66 66 s 1H | 59 59 s 2H | 58 58 q 1H J 47 | 29 29 d 3H J 48 | 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.
CN(Cc1ccccc1)C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1
ir: 3 7 5 7 2 2 2 1 2 2 4 2 4 4 2 2 1 1 1 0 1 2 2 1 1 7 8 6 3 3 23 45 8 4 5 12 3 7 17 47 100 46 11 10 7 4 8 5 3 1 3 2 2 3 4 14 10 1 1 2 1 1 3 7 8 6 14 18 5 2 1 1 1 2 3 4 5 3 5 1 1 0 1 3 2 5 1 2 4 13 8 3 3 4 2 4 5 15 3 2 2 2 2 3 2 4 3 6 2 2 4 3 6 4 3 5 3 3 6 5 14 8 2 4 7 24 8 12 11 10 12 9 13 5 5 19 4 16 2 4 6 4 8 14 29 19 48 12 8 20 3 3 2 2 2 1 0 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 1 2 3 3 1 1 1 3 2 4 10 9 17 44 15 14 5 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 3 2 6 3 10 34 20 8 5 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 22 | 77 76 dd 1H J 21 83 | 76 75 d 1H J 82 | 73 72 m 5H | 72 72 t 1H J 49 | 36 36 d 2H J 7 | 35 35 d 2H J 49 | 24 24 s 2H | 19 18 m 2H | 16 15 ddtd 2H J 47 60 74 136 | 15 14 m 3H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1ccccc1CCC(=O)N(NC(=O)c1ccccc1)C(C)C
ir: 4 2 0 3 6 5 3 4 6 2 1 5 5 2 0 3 5 3 3 3 4 1 3 3 3 1 0 6 3 1 4 7 5 2 6 10 13 15 48 35 7 12 10 14 15 7 11 9 32 3 4 4 2 1 4 4 2 1 4 4 2 0 3 6 5 1 3 5 3 2 3 3 5 8 8 5 2 2 3 4 1 2 5 5 6 2 3 3 2 8 4 3 1 2 4 3 1 1 3 4 1 2 4 4 3 9 12 6 1 6 3 2 1 4 6 5 6 3 7 3 1 4 5 7 3 3 5 2 3 6 5 2 1 5 19 19 15 37 16 8 3 9 68 53 46 100 16 33 9 9 4 2 3 7 10 2 2 6 3 0 2 7 3 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 3 4 2 1 4 4 4 2 2 5 3 2 6 3 13 15 26 68 46 11 6 7 3 2 4 3 2 1 3 3 2 2 4 5 2 1 4 4 2 13 18 6 16 22 7 5 2 2 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 92 92 s 1H | 79 78 m 2H | 77 76 dd 1H J 13 77 | 75 75 m 3H | 75 74 dd 1H J 12 74 | 74 73 td 1H J 20 74 | 73 72 m 3H | 71 70 td 1H J 13 76 | 70 70 dd 1H J 11 77 | 40 39 m 1H | 39 39 s 3H | 30 29 td 2H J 9 83 | 26 26 t 2H J 82 | 13 12 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2ccc(CCc3ccccc3)cc2s1
ir: 0 0 1 0 0 1 1 1 1 3 8 8 1 1 1 1 2 2 4 7 3 2 1 1 0 1 1 1 2 7 18 3 1 1 2 2 1 4 2 2 13 8 2 6 18 24 56 26 52 13 6 3 8 4 7 18 2 3 1 0 1 1 0 1 1 1 1 10 4 1 1 0 2 1 1 1 6 2 2 1 2 7 2 0 1 1 1 3 1 2 1 0 1 1 0 1 2 1 4 1 1 3 3 0 1 0 2 1 1 1 1 2 2 4 2 2 2 1 0 1 2 7 4 5 6 2 1 2 1 0 0 1 1 1 2 7 1 1 0 1 1 1 7 3 3 6 2 2 2 2 47 17 100 5 1 1 1 1 0 1 0 3 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 2 3 7 5 9 73 15 1 1 2 1 1 1 1 1 0 2 1 0 0 0 0 1 1 1 1 3 1 4 27 23 2 3 1 2 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; 1HNMR: 95 94 s 1H | 77 76 dq 1H J 8 22 | 76 76 d 1H J 75 | 73 71 m 7H | 33 32 qd 2H J 37 61 | 30 29 m 2H | 29 28 m 2H | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)ccc1-c1cccc(COc2ccc(CO)c(F)c2)c1
ir: 3 4 6 4 2 3 6 5 3 3 4 7 5 3 1 4 7 4 7 3 3 3 3 2 3 2 2 2 2 3 7 27 7 3 3 4 2 2 2 3 3 3 3 3 3 4 5 41 5 1 4 3 6 10 26 19 10 4 3 6 4 2 4 4 7 12 47 83 31 10 12 6 6 5 4 4 2 1 5 3 2 5 6 19 17 16 56 38 36 12 8 12 16 5 8 6 12 8 12 8 2 1 3 2 1 2 5 6 1 2 2 2 0 2 2 2 0 3 6 3 3 4 4 6 5 7 16 5 3 4 5 1 1 2 2 1 3 12 13 21 10 8 8 1 2 3 5 21 6 8 21 9 16 30 6 8 2 3 3 2 2 23 10 1 2 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 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 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 2 2 3 2 1 2 3 2 2 2 4 3 2 5 7 12 10 44 100 39 11 7 9 4 1 11 70 8 2 3 3 2 3 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 77 77 dp 1H J 10 23 | 75 74 m 2H | 74 73 m 2H | 74 73 dd 1H J 22 82 | 72 72 m 2H | 67 66 dd 1H J 21 98 | 66 66 dd 1H J 22 121 | 52 51 d 2H J 9 | 47 46 ddd 2H J 8 35 55 | 33 32 t 1H J 56 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(c1)CCC(N1CCN(CCc3ccc4c(c3)COC4=O)C(=O)C1)C2
ir: 11 10 2 7 7 2 1 3 2 2 5 4 5 2 4 2 3 4 2 3 2 8 24 12 16 3 5 21 18 11 7 4 7 1 9 4 36 2 9 13 5 11 42 3 16 2 6 4 4 5 3 4 5 1 7 10 12 5 2 2 2 6 1 1 1 4 52 12 12 12 6 1 1 2 7 2 2 5 0 1 2 3 10 24 23 5 3 7 8 13 61 3 7 12 4 5 17 5 6 9 10 4 4 2 2 2 3 3 7 7 2 3 3 5 1 4 19 62 15 8 16 9 8 12 9 5 7 13 9 4 3 4 4 2 1 13 16 16 12 3 3 3 15 3 2 1 1 3 6 40 39 51 9 25 5 3 1 0 1 0 3 15 2 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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 2 2 1 6 4 5 2 3 2 4 5 3 2 21 9 30 100 34 3 2 3 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 86 | 74 74 dd 1H J 21 85 | 74 73 dt 1H J 9 19 | 72 71 dp 1H J 9 18 | 71 70 m 2H | 54 53 d 2H J 10 | 37 37 t 2H J 60 | 36 35 d 1H J 130 | 35 34 m 1H | 34 34 m 1H | 34 33 m 1H | 31 30 m 3H | 30 27 m 6H | 21 20 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)c1cccc(C#N)c1
ir: 2 3 2 2 3 3 4 2 2 6 10 10 1 2 3 2 14 6 4 1 1 1 2 1 3 1 2 1 1 1 2 2 1 5 6 6 1 2 3 2 5 1 10 30 18 11 5 1 9 8 4 5 10 13 14 16 11 28 5 1 1 3 10 6 2 2 4 8 1 30 3 2 1 1 2 5 3 3 3 13 4 9 3 4 22 30 16 5 1 1 4 4 18 4 2 2 2 3 5 2 1 1 3 16 1 2 2 1 0 1 1 3 1 5 8 31 28 10 2 5 6 3 4 4 2 2 4 3 2 5 3 5 12 6 2 1 2 4 4 6 13 5 3 23 2 2 1 11 2 2 17 3 5 3 5 1 1 5 5 1 0 1 2 21 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 1 0 1 2 2 7 5 8 16 82 14 2 2 5 1 2 0 1 0 0 1 1 1 0 1 1 1 0 2 5 14 100 11 9 19 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 80 80 dd 1H J 18 81 | 79 78 m 1H | 77 77 m 2H | 77 76 m 5H | 76 75 m 5H | 63 62 s 1H | 61 60 q 1H J 15 | 25 24 d 3H J 14 | 10 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(Cl)nc(NCC(C)C)c1N
ir: 5 4 2 3 3 2 2 1 1 2 2 1 1 2 2 2 2 2 3 2 1 3 4 4 5 9 11 9 9 4 11 4 4 2 2 2 1 2 2 1 1 2 2 2 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 2 1 2 6 3 3 2 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 0 1 2 2 0 7 2 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 8 6 7 2 1 1 9 16 0 2 1 0 1 4 10 1 4 11 2 1 1 1 5 3 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 12 1 2 2 1 14 18 3 1 1 7 100 77 3 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: 73 72 t 1H J 60 | 60 60 s 2H | 39 39 s 3H | 34 34 dd 2H J 53 60 | 20 19 dtt 1H J 53 66 134 | 10 10 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](C)C[C@@H](OC1CCCCO1)C(=O)O
ir: 1 1 1 1 1 1 1 3 2 2 2 2 2 3 2 2 3 8 8 11 6 6 100 9 3 1 3 3 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 10 2 3 2 2 1 1 1 1 1 2 1 1 1 1 1 4 2 2 1 3 2 3 3 4 16 3 8 22 5 2 2 1 2 1 2 2 2 1 1 1 1 1 1 1 3 1 2 1 1 1 1 3 2 2 2 3 2 5 3 4 2 2 2 2 2 2 4 2 1 2 2 2 1 1 2 2 2 1 2 2 1 1 1 1 1 1 2 1 1 6 12 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 1 1 2 2 2 4 4 2 1 1 1 0 1 1 1 0 1 3 6 86 6 0 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 49 49 t 1H J 36 | 41 40 t 1H J 72 | 38 38 m 1H | 36 36 m 1H | 20 19 ddd 1H J 72 85 139 | 19 18 m 1H | 18 17 m 2H | 17 15 m 4H | 14 11 m 7H | 9 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCNC3)c(C)c2c1
ir: 0 1 3 1 0 1 0 1 1 4 3 5 3 4 4 1 1 1 0 1 3 1 2 2 2 7 11 11 15 16 7 30 4 3 22 3 2 1 1 1 1 2 2 2 4 8 8 2 3 5 2 3 6 50 3 0 2 1 1 1 1 1 0 1 1 1 1 0 1 2 2 4 2 1 1 7 2 1 0 1 1 1 0 0 0 1 0 0 1 1 0 1 6 4 0 2 1 1 0 1 8 8 0 1 1 1 1 10 2 4 9 14 15 9 7 9 16 15 25 5 3 4 10 8 5 5 7 11 12 5 3 3 2 0 1 3 3 1 2 10 47 31 6 1 2 16 2 1 1 2 36 4 35 2 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 0 1 0 0 1 1 1 2 3 4 2 7 4 3 10 11 4 2 3 2 2 1 1 1 1 2 2 2 1 1 2 3 3 4 24 100 46 5 6 20 25 28 7 5 7 8 1 1 2 1 1 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 75 75 dd 1H J 7 21 | 73 73 d 1H J 71 | 71 70 m 1H | 68 67 d 1H J 86 | 40 39 ddddd 1H J 14 30 42 55 86 | 32 31 ddd 1H J 13 50 130 | 31 31 s 3H | 29 28 m 2H | 28 27 m 1H | 25 24 d 2H J 9 | 23 22 tt 1H J 37 51 | 20 19 m 1H | 19 18 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)C1)O2
ir: 1 2 3 2 3 6 9 5 1 2 2 1 1 1 1 2 2 2 2 3 1 1 2 2 4 1 1 1 1 2 4 7 2 2 2 1 2 7 5 9 13 3 2 1 6 2 1 1 1 2 2 5 5 23 6 3 1 3 2 2 1 1 1 2 1 2 1 6 8 3 3 2 2 1 1 2 3 10 4 3 4 10 13 4 2 3 3 2 2 8 2 2 15 5 3 3 1 2 3 5 8 9 1 1 3 1 1 3 3 1 0 9 1 1 2 1 1 1 1 2 2 4 5 6 3 12 4 2 6 5 3 3 2 1 1 9 2 3 1 1 1 3 6 31 4 3 3 5 100 2 3 4 19 3 2 0 1 2 1 1 4 5 1 0 1 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 4 2 1 1 1 2 3 8 24 15 3 30 31 10 3 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 81 80 d 1H J 22 | 77 76 m 2H | 73 72 m 6H | 72 71 d 1H J 76 | 64 64 d 1H J 162 | 38 37 s 2H | 36 35 m 2H | 33 32 dd 1H J 7 126 | 32 32 d 1H J 174 | 30 29 m 3H | 28 27 ddd 1H J 31 50 120 | 23 22 ddd 1H J 29 49 132 | 20 20 ddd 1H J 32 50 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(C(=O)OCC)c3)n2)c1
ir: 5 1 1 1 1 11 15 2 1 4 4 1 2 1 2 1 1 1 1 1 1 1 1 4 7 14 2 1 1 2 2 7 3 2 1 1 1 1 1 1 0 1 1 0 1 2 1 1 4 4 1 0 3 100 7 4 4 1 1 1 0 0 1 1 1 0 1 3 4 3 1 2 1 1 1 1 0 1 1 1 1 2 1 0 1 1 1 0 1 0 0 0 1 1 1 1 13 5 1 1 1 1 2 2 9 3 11 5 1 1 0 1 2 1 1 1 1 5 2 1 0 0 1 1 2 1 1 2 3 5 2 1 1 0 0 1 1 5 4 4 7 2 3 1 1 5 17 7 13 14 3 1 16 2 19 0 1 5 6 15 1 1 1 1 14 12 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 1 3 2 3 15 11 3 1 1 1 1 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 5 14 12 14 13 12 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 88 88 d 1H J 24 | 80 80 d 1H J 139 | 79 79 t 1H J 21 | 78 77 m 3H | 74 74 t 2H J 78 | 73 72 ddd 1H J 11 21 79 | 72 71 ddd 1H J 11 22 79 | 44 43 q 4H J 64 | 14 14 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(On1nnc2ccc(Cl)cc21)c1ccccc1
ir: 1 1 6 8 2 1 1 1 1 5 26 6 4 1 2 1 0 1 1 1 0 1 2 1 1 2 1 1 0 6 5 5 2 1 4 2 3 3 2 2 34 4 2 4 4 1 1 1 0 0 1 6 100 10 12 1 1 2 1 0 1 0 1 1 4 14 4 9 2 1 1 0 1 1 2 5 2 4 2 0 1 1 1 1 61 8 62 1 1 1 1 1 0 0 0 0 1 2 5 5 1 2 0 0 0 0 1 2 3 1 0 0 1 0 0 1 1 2 0 1 4 12 5 2 1 1 3 1 0 1 0 1 1 1 11 6 1 1 1 0 0 1 16 4 1 2 6 1 1 0 1 2 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 6 19 7 11 8 3 2 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 0 0 0 0; 1HNMR: 80 79 d 1H J 82 | 79 78 m 2H | 78 77 m 2H | 77 76 m 2H | 75 74 dd 1H J 20 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1
ir: 3 2 1 8 2 3 1 3 4 2 3 3 4 2 2 2 3 3 2 6 14 4 9 5 5 2 2 3 8 4 2 2 3 1 3 6 4 5 8 9 36 85 7 5 3 2 2 4 6 1 2 3 3 18 19 61 17 4 3 3 3 1 4 3 2 0 3 6 15 10 8 5 2 1 2 2 1 3 6 2 1 1 2 3 2 6 3 3 2 6 7 4 3 3 2 2 2 3 3 4 2 1 2 2 1 1 2 2 2 5 5 6 1 3 4 2 1 2 2 2 1 5 6 10 4 3 2 2 3 2 1 3 5 5 17 29 57 94 100 25 5 8 6 4 60 7 6 4 9 4 12 50 10 6 26 5 2 3 2 1 3 48 95 6 2 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 2 1 1 2 2 1 2 3 2 2 4 8 9 17 17 21 13 5 10 11 4 3 5 2 2 1 2 2 2 1 2 2 2 2 3 5 5 9 8 18 10 3 3 3 2 2 3 5 2 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 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; 1HNMR: 88 88 t 1H J 9 | 85 85 d 1H J 19 | 80 80 dd 1H J 19 81 | 76 75 m 2H | 75 74 m 2H | 73 72 d 1H J 73 | 70 70 d 1H J 82 | 53 53 d 2H J 10 | 31 30 dp 1H J 47 73 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(C(F)(F)F)c(Br)cc1S(=O)(=O)c1ccccc1
ir: 14 1 6 2 1 1 1 2 1 2 1 9 6 3 7 4 6 7 4 9 13 16 12 7 1 1 2 7 10 23 12 12 12 1 3 4 5 11 34 7 12 3 3 2 1 2 2 2 1 1 2 2 1 1 1 1 1 2 3 2 2 1 5 14 15 12 23 17 5 5 1 2 1 1 2 3 2 3 3 2 2 4 12 2 12 24 4 1 1 1 1 1 1 1 1 2 0 7 9 23 21 12 2 2 5 11 16 2 1 1 1 1 1 1 0 1 1 1 0 2 4 2 0 3 16 1 2 1 0 1 2 1 1 2 6 6 1 1 2 3 8 1 6 10 3 2 13 1 1 2 1 1 2 7 8 5 9 24 15 9 2 3 3 39 8 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 1 1 1 1 0 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 11 22 10 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 21 34 2 2 1 0 0 1 1 1 2 8 100 28 5 3 2 2 1 0 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 s 1H | 80 79 m 2H | 76 75 m 3H | 73 73 q 1H J 20 | 67 66 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(C(=O)CN1CCN(c2ccc3[nH]ccc3c2)CC1)C1CCc2ccc(OC)cc2C1
ir: 3 16 22 8 17 7 4 3 2 4 5 5 5 8 3 6 3 6 1 8 21 81 31 8 10 3 10 26 21 13 28 11 12 13 9 5 5 8 7 4 5 11 4 4 8 9 20 7 8 9 12 8 18 100 27 62 18 25 13 4 9 14 7 13 9 27 36 23 49 27 10 3 5 6 2 2 4 4 10 33 64 9 5 49 7 4 12 8 10 7 9 12 14 23 9 16 1 11 10 14 17 36 40 42 13 7 10 7 20 17 9 13 30 6 6 10 6 7 14 17 9 9 5 9 16 8 3 12 9 4 4 2 6 6 1 4 8 8 16 8 21 17 30 8 8 11 8 11 54 17 18 9 10 34 44 60 11 11 4 3 2 2 15 3 5 2 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 2 0 0 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 6 9 8 9 6 2 5 9 7 21 44 35 33 82 39 30 14 29 15 2 3 3 1 2 2 1 2 2 2 2 1 1 2 2 2 7 8 14 14 42 93 4 4 4 1 2 2 2 1 1 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 d 1H J 66 | 72 72 dd 1H J 32 67 | 72 71 d 1H J 68 | 70 70 t 1H J 22 | 69 69 dt 1H J 9 85 | 69 69 dd 1H J 22 68 | 67 67 dd 1H J 21 83 | 66 65 dt 1H J 9 20 | 64 63 m 1H | 38 37 p 1H J 68 | 38 38 s 3H | 34 33 m 2H | 34 33 m 3H | 33 32 m 2H | 31 30 m 2H | 29 28 m 2H | 28 27 m 5H | 21 20 m 1H | 19 18 m 1H | 16 15 m 2H | 9 8 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccn1)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1
ir: 2 3 5 5 5 4 4 3 0 2 2 3 1 3 3 3 3 8 11 9 3 1 2 2 6 5 3 2 3 5 7 12 11 6 3 6 5 20 14 16 10 21 48 48 27 19 8 16 29 18 5 3 3 8 10 8 5 4 4 3 1 5 4 6 7 3 2 6 10 10 10 4 5 12 9 7 11 10 15 39 5 4 2 2 4 2 1 1 4 6 3 5 4 7 8 4 3 5 3 2 3 2 0 4 15 12 9 14 5 7 16 3 6 5 8 3 7 6 4 8 4 4 3 5 4 9 7 5 2 2 2 2 4 2 5 23 15 5 21 14 12 4 9 37 12 6 8 34 31 21 8 5 2 7 3 1 29 15 5 6 1 1 2 1 5 2 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 2 1 4 3 5 1 5 2 4 3 4 1 22 22 21 100 39 13 5 3 2 2 2 2 1 1 1 1 1 1 1 1 2 8 44 36 4 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 dd 1H J 17 41 | 87 86 d 1H J 42 | 81 80 ddd 2H J 12 54 74 | 77 76 m 2H | 75 74 ddd 1H J 13 70 84 | 74 73 m 2H | 73 73 m 3H | 73 72 m 1H | 72 72 m 2H | 43 42 ddd 1H J 8 51 154 | 41 40 ddd 1H J 8 51 152 | 39 38 qdd 1H J 38 60 86 | 37 37 ddd 1H J 62 90 128 | 35 35 dd 1H J 9 147 | 35 34 m 1H | 35 34 m 1H | 31 30 dddd 2H J 33 54 82 99 | 30 29 m 1H | 28 27 ddt 1H J 10 84 130 | 21 20 ddd 1H J 31 87 130 | 20 19 dddd 1H J 26 62 90 128 | 19 18 dt 1H J 58 130 | 18 17 dddd 1H J 55 63 91 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC[C@@H](O)c1ccoc1
ir: 12 13 4 5 5 1 1 1 2 5 2 2 4 2 3 4 1 5 3 2 2 0 1 3 9 21 62 36 14 2 3 3 1 0 2 1 2 4 1 1 1 0 1 3 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 2 2 6 5 0 1 1 0 1 2 1 0 1 1 0 2 3 5 6 7 52 38 10 7 3 7 3 1 2 1 3 8 6 6 1 1 0 1 0 1 6 2 1 2 4 1 3 3 3 2 2 6 12 9 15 4 6 5 3 7 8 3 3 4 4 4 2 6 3 1 1 1 1 1 1 4 14 7 6 26 49 8 4 12 10 2 1 0 1 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 2 3 2 4 2 1 2 1 1 1 1 1 5 9 13 3 2 2 3 2 2 2 1 2 2 100 17 2 3 3 1 1 0 0 0 0 0 1 1 3 8 8 13 11 6 3 1 1 1 1 0 1 0 1 0 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; 1HNMR: 74 74 m 2H | 63 63 dt 1H J 8 17 | 57 57 t 1H J 51 | 48 47 tdt 1H J 6 49 63 | 36 36 d 1H J 49 | 33 33 dq 1H J 56 139 | 32 31 dq 1H J 56 139 | 21 20 dq 1H J 58 146 | 18 17 dq 1H J 58 146 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Oc1ccccc1)N1CCC(C2CCC2)CC1
ir: 11 7 4 11 4 30 19 9 12 7 4 5 4 3 2 1 2 1 2 2 2 1 1 1 1 0 1 3 3 3 3 3 2 3 3 2 2 8 13 60 12 13 34 8 4 3 1 2 2 0 1 2 4 5 2 3 1 1 1 3 2 1 3 3 4 8 5 11 13 14 1 1 2 3 1 1 2 3 8 3 2 2 2 1 2 1 1 1 2 2 1 2 3 3 1 2 2 1 2 1 4 7 6 4 11 28 16 16 5 6 1 3 1 4 6 5 4 2 6 8 16 7 26 11 2 3 2 2 2 7 2 5 3 3 9 20 10 5 4 2 3 11 8 88 77 34 13 3 3 14 41 67 100 8 5 1 1 1 1 9 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 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 1 1 1 0 1 1 3 2 4 2 5 7 10 4 4 3 4 11 32 11 23 52 26 21 20 7 2 3 2 2 1 2 2 0 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 76 75 m 1H | 75 74 m 2H | 73 72 m 2H | 37 36 ddd 2H J 60 87 123 | 34 33 ddd 2H J 59 86 121 | 18 15 m 8H | 15 14 dddd 2H J 49 60 88 125 | 14 13 dtd 2H J 52 82 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccccc2)sc1Cl
ir: 2 2 7 11 6 7 6 8 1 5 4 5 4 2 3 1 1 1 1 0 0 1 2 1 0 1 2 1 2 4 9 6 9 11 11 4 4 12 3 5 5 28 19 3 2 2 1 1 0 1 1 0 1 0 1 0 1 1 1 0 1 1 1 2 2 1 4 7 6 10 4 4 3 5 18 57 5 2 2 1 1 1 1 1 1 0 3 1 1 1 0 1 3 1 2 3 28 15 0 1 1 1 0 1 2 1 1 0 2 1 3 6 6 7 7 9 6 11 16 5 2 4 1 2 2 2 1 1 8 5 2 2 2 2 1 7 6 2 2 4 5 23 75 5 22 6 3 63 24 3 4 3 10 4 3 0 1 1 1 1 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 1 4 10 14 16 100 68 45 15 8 6 5 1 1 1 2 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 77 77 s 1H | 75 75 m 1H | 75 74 m 2H | 43 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc3ncc(Cc4ccc(O)cc4)n3n2)cn1
ir: 1 1 0 1 1 1 7 3 2 2 2 2 2 2 1 1 2 1 4 4 1 1 1 1 1 1 1 23 5 1 1 0 1 1 2 2 1 2 1 0 1 1 0 0 0 0 0 0 2 4 2 2 2 2 5 0 69 17 20 7 1 1 1 1 1 3 2 6 2 9 1 20 5 3 1 1 1 4 5 13 31 9 7 4 1 1 2 4 17 18 8 4 2 1 1 2 9 3 1 1 0 1 2 2 1 1 3 1 1 3 3 1 1 1 0 0 0 0 1 2 1 2 3 3 2 3 3 2 2 1 1 1 3 1 0 0 1 1 2 1 3 27 6 65 3 1 3 26 15 3 4 3 3 27 3 1 0 3 1 0 0 1 1 1 6 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 3 2 2 1 3 2 2 1 1 1 1 1 1 1 1 3 2 1 6 15 18 10 10 12 28 8 9 23 100 78 16 5 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 79 78 d 1H J 88 | 76 76 s 1H | 76 75 d 2H J 85 | 71 71 dq 2H J 9 86 | 68 68 t 1H J 8 | 68 67 m 2H | 41 40 q 2H J 8 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1cc(-n2ccc(=O)c(CO)n2)cn1
ir: 27 22 35 36 48 23 5 19 29 14 6 21 25 15 20 21 21 9 8 22 27 11 9 19 25 6 4 17 18 4 6 22 20 6 6 19 15 3 7 19 14 4 9 19 13 2 13 24 19 66 72 52 16 7 13 21 13 6 14 20 14 10 15 32 30 25 25 21 9 3 14 19 8 7 18 21 10 10 32 32 13 8 31 41 28 13 38 30 30 23 27 26 100 22 50 34 18 15 20 16 2 10 22 15 5 11 27 13 5 12 27 15 2 10 21 12 3 14 26 16 2 13 19 11 4 20 28 11 5 17 18 8 4 16 20 8 5 15 17 32 36 34 18 6 5 15 14 5 7 17 14 17 20 20 13 6 7 20 17 6 9 18 20 5 9 20 11 0 9 20 10 0 10 20 9 1 11 18 9 2 11 18 8 2 12 17 7 3 13 16 7 3 13 16 6 5 14 15 5 5 14 14 5 6 15 13 4 6 16 13 3 7 16 12 3 8 17 11 3 8 17 11 2 9 18 10 2 10 18 10 2 11 18 9 2 11 18 8 3 11 17 8 3 12 16 7 4 13 15 7 5 13 15 6 5 14 14 5 6 14 14 5 6 15 13 4 7 16 13 4 10 18 12 4 9 17 12 3 11 20 14 9 14 28 30 3 14 22 23 58 54 43 34 12 15 23 11 4 13 16 8 5 12 15 7 5 13 14 6 5 13 14 6 6 14 13 6 6 14 13 5 7 15 12 5 7 15 12 4 8 15 11 4 8 16 11 3 9 16 10 3 10 17 10 3 10 16 9 3 11 16 9 4 11 15 8 4 12 15 8 5 12 14 7 6 12 14 7 6 13 13 6 6 13 13 6 7 14 12 5 8 14 12 5 8 15 11 5 8 15 11 4 9 15 10 4 9 16 10 3; 1HNMR: 80 80 d 1H J 84 | 75 75 s 1H | 74 73 d 1H J 8 | 65 64 d 1H J 84 | 45 44 d 2H J 56 | 43 43 pd 1H J 7 44 | 39 39 t 1H J 56 | 14 13 d 6H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCN43)CC2)c(Cl)c1
ir: 5 3 4 3 5 4 5 6 12 5 7 5 4 2 2 4 6 6 5 23 17 49 22 11 4 4 4 14 3 5 9 29 58 30 13 11 10 14 21 63 100 27 12 0 2 5 3 2 4 5 4 3 3 3 21 16 11 10 11 6 4 5 9 12 23 12 10 12 16 7 3 2 6 4 3 4 2 3 7 8 15 8 7 18 29 8 5 3 4 6 6 9 10 6 12 20 7 10 7 14 11 11 4 5 10 19 7 7 21 18 11 6 9 13 5 3 4 4 3 3 4 11 9 7 20 8 8 5 6 3 2 6 28 27 8 5 3 6 12 37 12 17 72 71 17 23 55 11 6 9 23 22 19 4 3 6 31 11 3 5 3 2 12 3 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 4 3 3 4 3 4 5 5 4 5 14 7 22 22 17 9 4 3 3 3 2 2 2 3 2 4 5 5 4 4 4 5 4 4 10 16 11 35 46 72 26 7 5 4 3 3 3 2 2 2 3 2 1 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 s 1H | 80 80 dt 1H J 8 17 | 79 78 d 1H J 22 | 77 77 dd 1H J 21 78 | 76 76 dt 1H J 8 17 | 70 70 d 1H J 78 | 65 64 q 1H J 51 | 43 42 ddt 1H J 18 34 50 | 39 38 ddd 1H J 41 58 137 | 38 37 m 3H | 33 32 m 4H | 31 31 m 4H | 30 29 d 3H J 51 | 24 23 dddd 1H J 32 48 67 131 | 22 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1nc2c(C(C)(C)O)cccc2[nH]1
ir: 0 2 4 3 1 3 3 2 3 4 5 4 10 13 7 7 4 8 11 5 20 18 26 54 73 49 43 19 8 12 2 5 3 1 1 3 6 2 3 4 34 51 3 2 2 1 6 17 48 12 3 3 5 6 4 2 2 3 15 5 4 6 3 2 3 6 9 31 6 9 7 3 3 2 3 2 2 3 13 4 3 9 22 62 8 5 2 6 10 10 25 14 13 21 31 6 6 15 14 4 24 16 67 6 6 11 24 4 4 2 1 3 11 6 3 12 12 4 5 16 8 8 8 5 4 1 2 9 9 17 3 3 3 2 2 10 68 18 6 7 2 2 2 5 12 18 63 3 0 6 10 17 4 0 1 2 2 1 7 5 45 5 2 3 3 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 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 1 2 1 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 1 1 2 1 2 2 2 2 2 2 2 2 2 1 4 4 3 7 15 13 10 100 18 14 5 13 22 8 2 3 4 3 2 1 1 3 2 2 1 2 2 4 3 10 10 5 5 18 70 32 13 6 2 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 s 1H | 76 75 dd 1H J 13 86 | 75 74 dd 1H J 11 86 | 73 72 t 1H J 86 | 47 47 s 1H | 44 44 s 2H | 35 34 s 3H | 17 17 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1cc(Cl)nc2ccc(I)cc12
ir: 6 2 3 3 2 1 1 4 2 1 2 5 10 6 4 4 2 4 3 2 2 1 2 5 2 3 2 2 1 4 3 3 1 8 7 3 8 24 20 30 52 20 6 7 32 8 3 3 2 3 2 3 1 12 4 17 42 12 2 2 1 2 2 2 1 4 16 12 7 6 3 2 2 7 3 1 1 1 2 2 1 3 15 34 4 4 6 16 2 2 4 8 5 5 7 4 3 5 2 3 2 7 8 1 1 1 2 2 1 1 2 3 2 6 3 4 10 6 8 5 10 7 9 7 10 5 5 2 2 3 2 3 3 8 9 13 5 10 2 2 2 1 6 11 53 31 30 16 2 10 23 8 4 1 3 9 7 2 1 4 3 5 1 0 1 2 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 2 1 1 1 2 3 2 7 11 3 5 52 14 5 3 2 1 1 1 0 1 1 1 1 1 1 1 1 2 2 9 4 4 10 10 35 100 20 14 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 85 d 1H J 22 | 82 82 t 1H J 46 | 79 78 d 1H J 76 | 78 78 m 2H | 36 36 q 2H J 46 | 29 28 t 2H J 46 | 25 25 q 4H J 69 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOCCOC(=O)CC#N
ir: 8 18 4 7 13 6 11 5 13 5 9 12 16 12 5 10 12 9 5 5 3 2 2 0 0 2 2 1 2 3 9 10 4 5 4 0 2 3 3 2 4 4 4 1 2 4 4 4 5 5 7 10 9 11 12 7 14 13 9 2 4 9 6 5 5 10 18 20 18 26 15 18 7 10 7 7 4 5 1 0 2 2 0 0 2 2 0 0 3 2 1 5 4 5 3 4 5 3 6 3 14 14 1 3 3 4 2 5 3 8 5 10 11 6 9 7 13 13 4 16 26 47 39 19 12 5 9 11 7 7 5 3 4 3 2 3 3 1 2 5 5 5 15 100 22 74 26 10 3 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 3 2 3 13 33 12 5 2 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 0 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 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 4 7 2 5 11 7 8 3 9 6 7 6 8 26 16 18 26 11 4 4 3 2 1 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 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; 1HNMR: 44 43 t 2H J 53 | 37 37 t 2H J 53 | 36 36 s 2H | 35 35 t 2H J 65 | 16 15 p 2H J 67 | 14 13 h 2H J 69 | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn(C)c1OCc1ccccc1
ir: 4 2 1 2 2 2 2 2 2 2 3 4 6 3 1 2 3 1 2 3 3 2 1 2 2 2 3 3 4 6 6 6 3 3 5 2 4 3 7 14 12 7 3 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 4 4 3 4 3 2 2 2 2 2 3 2 2 2 2 1 1 2 8 3 1 2 2 6 4 2 2 6 3 2 1 3 10 6 2 1 1 2 1 1 1 2 2 1 2 2 2 4 5 3 3 2 2 3 2 4 5 7 2 4 3 3 2 2 4 2 2 1 2 6 12 6 3 2 8 3 3 8 10 3 2 4 3 1 2 2 1 6 19 3 0 37 100 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 2 1 2 2 2 1 2 4 9 5 4 12 10 3 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 s 1H | 74 74 ddt 2H J 9 16 66 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 53 53 d 2H J 9 | 44 43 q 2H J 64 | 37 37 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(Cc1ccc(O)cc1)C(=O)OCC
ir: 12 10 23 8 7 7 10 8 16 16 13 11 8 8 15 13 10 10 7 6 7 6 3 3 1 4 5 8 6 5 6 8 9 4 3 4 3 6 5 3 2 5 7 4 7 13 5 3 6 9 6 7 12 13 33 18 40 20 12 2 10 11 5 4 10 9 4 3 11 68 8 1 11 13 11 11 14 28 44 75 100 49 25 4 9 6 6 20 40 93 8 4 7 5 4 5 15 10 11 8 3 3 2 2 5 5 6 6 6 4 2 4 10 6 9 6 6 13 9 11 16 12 6 7 7 10 4 8 8 9 6 4 4 1 0 3 4 1 0 4 5 2 1 23 40 5 5 26 41 14 7 7 19 4 2 3 2 2 2 3 2 2 1 3 2 0 1 3 1 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 3 2 0 1 3 2 1 1 3 2 0 1 2 2 0 1 3 2 0 1 3 1 0 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 2 3 3 1 1 3 3 3 3 6 9 5 3 4 7 5 8 4 4 3 6 4 6 16 24 16 20 75 31 13 10 2 9 14 11 69 32 5 4 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 3 1 2 3 2 1 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 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 74 s 1H | 71 70 dt 2H J 9 86 | 67 67 m 2H | 42 41 m 3H | 36 36 dt 1H J 66 114 | 35 34 dt 1H J 67 114 | 31 31 ddt 1H J 9 71 142 | 29 28 ddt 1H J 9 70 141 | 16 15 m 2H | 14 13 h 2H J 70 | 11 10 t 3H J 64 | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1(C(=O)OC(C)(C)C)COC(=O)OC1
ir: 14 8 7 5 7 9 8 6 7 10 22 14 9 8 3 6 6 4 6 5 5 5 4 5 5 4 4 8 11 7 12 9 7 6 4 6 4 6 6 6 5 5 4 4 5 5 5 5 4 4 4 4 4 4 6 4 6 5 5 7 5 5 6 7 5 5 6 7 8 12 8 24 17 14 8 5 6 5 5 5 5 5 9 5 4 4 5 6 6 4 5 5 4 4 6 7 10 5 8 6 4 6 7 8 5 5 6 5 3 4 6 5 2 5 13 6 0 34 100 24 20 9 4 6 6 5 7 11 8 10 9 13 7 5 6 6 4 17 11 17 19 11 7 6 21 91 76 14 7 3 4 6 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 11 6 6 6 5 14 18 7 24 25 14 12 14 11 7 6 6 9 10 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 61 60 ddq 1H J 9 112 167 | 53 52 dd 1H J 27 165 | 52 51 dd 1H J 27 111 | 46 46 dd 2H J 9 113 | 44 43 dd 2H J 9 113 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C#Cc2ccccc2)nc1
ir: 1 2 3 2 4 2 2 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 3 3 2 4 3 3 1 1 5 33 100 7 0 1 2 1 0 1 2 2 4 1 1 1 4 11 18 8 2 1 1 1 1 2 3 1 1 1 2 4 15 10 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 2 2 4 1 1 1 4 1 1 1 1 1 1 5 3 1 1 1 1 3 1 1 1 1 0 1 1 1 1 1 2 1 2 1 2 5 5 2 1 2 1 1 1 1 1 2 5 15 6 1 1 1 1 5 31 9 6 2 6 1 10 11 3 3 4 2 2 1 1 1 2 2 14 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 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 2 3 3 7 10 8 23 21 14 8 3 3 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 1 1 1 1 1; 1HNMR: 79 79 d 1H J 19 | 76 76 m 2H | 74 73 m 3H | 73 73 d 1H J 80 | 71 71 dd 1H J 19 80 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(=O)c2ccc(C)c(C)c2)cc1C
ir: 2 3 2 13 2 6 6 2 4 2 1 9 3 1 1 1 0 3 4 5 1 1 1 2 1 1 0 1 3 1 1 0 3 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 3 1 9 2 1 1 1 1 0 0 0 1 0 1 1 1 2 3 2 4 1 0 1 1 1 0 1 1 1 1 1 1 1 4 4 5 100 8 7 7 2 1 2 9 2 1 2 1 1 1 1 0 1 2 0 0 0 0 0 0 0 1 1 0 1 1 0 2 5 7 6 3 2 2 2 1 0 1 1 1 1 0 0 0 0 0 0 0 0 1 3 1 10 4 48 2 1 0 1 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 2 1 1 2 1 6 10 6 2 2 2 1 1 2 21 5 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; 1HNMR: 79 79 dd 2H J 22 84 | 78 78 m 2H | 73 72 dq 2H J 10 84 | 48 48 m 2H | 39 39 m 2H | 23 23 d 12H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C=O)cc4)nc3n2)CC1
ir: 2 1 1 1 0 2 2 1 3 3 3 5 5 3 15 5 1 0 0 1 2 1 1 1 6 11 7 2 2 2 2 3 7 3 4 1 4 4 1 1 1 5 10 2 1 2 3 10 12 5 2 2 3 17 22 21 8 4 2 1 3 2 4 3 11 26 41 23 13 2 16 46 3 2 2 2 11 4 5 4 9 3 5 2 19 2 8 5 1 1 5 0 0 1 1 1 3 10 10 5 10 5 1 6 18 3 1 1 5 5 1 6 1 1 2 1 1 1 3 7 4 2 5 11 12 17 12 11 7 2 2 6 6 12 9 9 6 5 10 9 5 61 15 8 24 12 16 100 9 3 15 35 43 35 7 3 0 1 1 6 1 0 0 3 1 5 48 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 1 5 1 1 0 1 1 2 1 0 1 1 1 2 2 7 13 40 48 23 7 3 0 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 89 89 d 1H J 16 | 85 84 d 1H J 16 | 80 80 m 2H | 78 78 m 2H | 76 76 m 2H | 74 73 m 3H | 38 38 t 4H J 56 | 33 32 dt 2H J 56 110 | 32 32 dt 2H J 55 111 | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(C)c2nc(N3CCOCC3)nc3ccccc23)cc1
ir: 1 1 1 2 3 2 1 1 0 1 1 2 2 2 9 2 1 1 1 0 1 1 2 2 2 4 7 2 4 24 15 5 12 2 1 3 3 2 2 1 1 2 1 35 6 3 2 4 47 8 3 6 1 2 4 20 7 5 3 3 2 10 7 5 4 2 2 3 2 3 3 5 4 8 5 4 1 1 1 2 2 1 1 0 1 4 1 1 1 1 1 1 2 3 5 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 11 0 1 2 1 2 2 4 12 2 2 2 1 3 3 7 3 19 2 1 2 3 1 1 2 1 23 10 58 14 5 4 8 25 9 4 25 34 3 4 22 1 1 1 1 1 1 1 36 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 0 1 3 4 7 14 100 9 14 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 14 100 | 81 80 dd 1H J 14 75 | 79 78 td 1H J 11 71 | 75 75 ddd 1H J 13 69 99 | 71 71 m 2H | 69 68 m 2H | 39 38 m 7H | 38 37 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1cc(-c2ccnc3ccccc23)c(-c2ccc(Cl)s2)n1
ir: 3 3 2 3 4 2 2 5 6 3 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 4 2 1 1 2 2 2 1 2 5 2 6 4 3 5 3 9 97 100 11 0 6 5 4 2 2 2 4 2 4 17 5 7 5 9 13 3 4 3 2 3 3 5 21 24 3 5 10 6 6 5 8 10 2 4 4 3 14 10 12 9 5 2 10 4 5 14 6 7 3 7 6 8 6 3 4 7 3 8 3 2 2 17 6 9 9 6 6 5 4 6 4 10 10 5 8 15 5 3 3 4 12 5 3 5 6 7 12 10 10 4 2 2 3 3 2 1 5 3 3 1 2 2 2 7 6 6 4 4 11 22 8 5 3 8 2 2 2 1 1 1 2 2 2 2 1 2 1 1 6 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 2 1 2 1 2 1 2 2 1 3 2 5 3 2 4 2 5 4 4 5 4 10 5 6 5 27 61 37 82 20 26 16 6 4 3 2 2 2 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 46 | 85 84 m 1H | 81 80 dd 1H J 16 81 | 79 78 ddd 1H J 13 69 83 | 78 77 d 1H J 45 | 77 77 ddd 1H J 12 68 81 | 75 75 d 1H J 9 | 72 72 d 1H J 73 | 71 71 d 1H J 71 | 41 40 dd 2H J 8 45 | 22 21 dtt 1H J 44 70 139 | 10 10 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc12
ir: 3 3 3 2 2 3 3 5 8 2 5 6 5 2 1 3 7 4 8 8 2 4 2 5 9 9 6 5 3 9 11 5 2 2 2 1 2 5 7 4 3 14 18 1 3 18 15 8 22 21 17 24 100 38 14 6 5 1 3 3 1 0 1 2 1 0 1 5 6 3 1 1 1 1 4 8 3 4 4 2 1 1 1 2 1 1 2 2 6 6 6 4 3 3 2 2 3 6 7 10 5 2 2 7 16 3 4 3 11 3 2 1 0 1 2 1 0 2 5 1 1 2 3 3 1 2 2 2 3 6 16 2 4 2 2 5 3 6 9 3 1 2 4 2 7 11 8 11 50 25 19 1 13 6 10 14 21 15 4 5 3 47 10 3 9 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 1 1 1 1 1 1 1 2 3 4 4 19 46 15 13 10 5 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 2 3 16 24 36 46 52 40 6 6 8 3 3 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H | 86 85 d 1H J 70 | 82 81 dd 2H J 48 82 | 80 79 s 1H | 79 79 d 1H J 85 | 77 76 t 1H J 85 | 76 75 m 2H | 73 72 m 4H | 69 68 tt 1H J 12 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCC2CC(C)(O)CC(=O)O2)ccc1O
ir: 7 7 8 6 7 21 26 50 68 21 7 6 8 5 4 5 6 4 2 4 5 4 6 3 4 2 3 2 2 1 1 3 2 2 2 4 3 3 2 4 4 3 7 2 2 1 1 2 2 3 3 3 2 22 8 7 9 9 5 5 2 4 2 3 6 8 8 4 3 11 4 3 3 6 4 5 15 15 27 17 3 4 4 5 4 3 6 17 4 6 18 13 17 35 13 6 5 7 6 7 6 12 17 13 5 3 6 3 8 3 4 3 3 11 12 3 3 6 3 6 15 8 6 14 6 3 3 2 3 4 4 7 4 5 3 4 7 8 3 2 2 4 7 6 35 37 7 4 3 0 14 2 1 4 2 2 1 2 1 1 1 1 3 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 2 3 3 3 5 2 3 3 4 4 7 3 4 5 7 5 6 6 19 9 11 25 5 8 5 3 5 13 11 100 23 1 5 7 3 1 3 4 3 1 4 3 4 3 4 4 3 2 2 2 2 1 2 2 2 1 2 3 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 68 68 d 1H J 85 | 67 66 dq 2H J 10 94 | 63 63 s 1H | 48 48 m 1H | 43 42 s 1H | 39 38 s 3H | 28 27 dtt 1H J 9 75 134 | 27 26 m 2H | 24 23 d 1H J 176 | 22 21 dd 1H J 59 143 | 21 20 dtd 1H J 51 76 143 | 20 19 dd 1H J 58 142 | 19 18 dtd 1H J 51 76 143 | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(O)c2c(n1)NCC(CCc1ccc(S(=O)(=O)NCC(=O)O)s1)C2
ir: 17 9 4 7 15 16 7 19 29 38 23 13 9 13 14 7 9 12 4 25 55 65 35 8 4 7 9 7 10 4 4 5 3 3 2 2 5 6 5 2 5 5 11 8 9 4 3 5 2 4 10 6 13 14 13 18 45 22 61 18 32 15 6 10 72 15 7 3 4 3 3 6 7 5 3 11 21 12 17 50 9 6 3 10 9 10 5 18 27 31 7 6 7 3 3 2 5 4 4 4 4 4 1 3 15 44 19 50 14 9 15 12 1 5 6 8 3 3 3 5 9 5 6 6 1 3 5 7 5 4 4 3 2 3 5 2 2 7 9 5 2 10 7 22 9 80 27 14 10 4 4 10 49 24 7 7 9 0 2 5 2 1 1 3 2 0 1 3 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 2 2 4 2 2 2 3 2 2 3 3 7 2 2 5 6 14 17 7 2 0 3 7 1 84 13 5 3 6 2 4 9 20 23 11 30 100 15 6 4 35 4 3 2 19 74 4 5 3 0 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 74 t 1H J 76 | 74 73 d 1H J 77 | 69 68 dt 1H J 9 75 | 67 67 s 2H | 65 64 t 1H J 48 | 54 54 s 1H | 38 37 m 3H | 35 34 dt 1H J 50 141 | 29 28 dtd 1H J 9 79 137 | 28 27 m 2H | 25 24 dd 1H J 85 195 | 23 22 m 1H | 19 18 dtd 1H J 60 78 137 | 17 16 dtd 1H J 59 79 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@]1(C(=O)OC)CCc2ccc(O)cc2O1
ir: 2 2 3 3 2 3 2 2 2 2 1 2 2 1 0 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 2 3 1 1 0 2 1 1 1 1 1 1 0 4 6 3 1 2 2 1 1 1 1 1 1 2 5 4 32 23 3 2 4 6 1 1 1 3 10 11 2 2 1 1 1 0 1 1 1 0 0 1 1 0 4 0 1 1 1 5 2 2 3 4 4 3 2 1 1 1 1 5 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 5 1 1 1 3 1 2 4 1 1 1 1 1 1 1 5 3 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 1 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 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 3 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 5 5 2 4 11 3 1 1 1 1 2 30 100 13 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 s 1H | 69 69 dt 1H J 9 88 | 64 64 d 1H J 22 | 64 63 dd 1H J 22 88 | 38 38 s 2H | 29 28 dddd 1H J 9 54 81 152 | 28 27 dddd 1H J 8 54 81 152 | 25 24 ddd 1H J 53 80 141 | 23 22 m 2H | 20 19 dq 1H J 81 145 | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CN1C(=O)c2c(F)ccc(F)c2C1=O)C(C)=O
ir: 37 4 19 10 8 6 2 3 10 10 8 5 5 15 2 6 7 2 1 11 5 3 1 3 3 2 1 7 4 1 2 4 3 1 1 4 3 0 2 9 14 5 8 32 79 20 4 4 3 1 3 7 4 0 41 18 11 5 4 4 3 10 4 4 3 0 7 15 26 13 8 4 3 2 4 4 2 1 3 3 1 1 3 3 2 1 9 2 1 1 7 4 1 2 3 3 1 2 5 3 5 3 4 3 1 4 7 14 4 24 35 28 6 8 26 11 19 45 35 6 6 18 44 14 8 5 8 9 2 3 5 3 2 4 5 3 30 17 5 2 24 14 48 14 8 46 100 16 7 3 3 5 22 3 3 36 9 5 3 1 20 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 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 2 2 3 3 1 2 3 2 1 2 3 3 2 5 3 3 3 6 5 4 1 6 7 18 11 8 24 24 13 8 57 9 5 3 7 4 3 6 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 74 dd 2H J 66 84 | 46 45 dd 1H J 62 150 | 43 42 dd 1H J 62 152 | 41 40 tq 1H J 16 62 | 37 37 s 2H | 22 22 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(Oc2ccccc2Cl)c(-c2ccc(Cl)cc2)n1
ir: 0 0 1 0 1 1 1 0 1 1 1 1 1 3 8 5 3 2 6 3 2 3 1 9 3 3 7 7 9 6 2 1 2 1 3 1 2 2 7 10 5 7 13 13 7 5 1 1 1 1 0 0 0 1 1 0 7 2 1 0 0 1 0 0 0 1 0 1 1 3 1 1 1 1 2 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 3 5 4 7 22 6 10 5 3 1 0 4 1 1 1 3 1 1 1 1 3 2 2 2 1 3 9 1 1 0 4 1 1 1 0 2 3 12 1 4 1 0 0 0 2 1 1 3 1 3 1 1 2 2 6 3 10 7 1 1 6 1 0 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 1 2 1 2 6 17 7 3 16 100 25 9 5 1 1 1 0 0 0 1 0 0 1 0 0 1 1 1 1 3 17 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; 1HNMR: 88 87 s 1H | 80 79 d 1H J 99 | 79 78 m 2H | 75 74 m 2H | 74 73 dd 1H J 14 79 | 73 73 td 1H J 14 75 | 71 70 dd 1H J 12 79 | 70 70 td 1H J 11 76 | 39 39 tdd 1H J 34 56 63 | 39 38 m 1H | 31 31 d 1H J 56 | 20 19 m 1H | 19 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Sc2cccc(CC(=O)O)c2)c2ccc(Cl)cc2n1Cc1ccccc1
ir: 0 1 3 3 3 2 3 1 3 2 4 4 3 4 5 6 5 11 7 11 20 9 19 15 3 5 2 6 2 4 16 6 3 3 8 2 3 3 3 5 13 1 3 10 3 3 2 7 5 4 1 2 2 2 12 7 1 0 1 1 0 0 0 1 0 2 3 5 4 11 3 1 1 1 2 2 7 2 9 10 6 6 2 2 2 8 4 2 4 2 3 1 1 1 1 5 1 2 4 3 2 3 4 1 1 1 0 0 1 2 1 0 0 1 1 1 1 2 3 3 3 2 3 6 5 2 1 1 1 0 2 1 1 1 0 7 1 1 2 12 12 7 6 27 9 5 7 2 1 1 1 4 4 2 7 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 1 1 1 1 5 9 7 10 7 100 20 10 3 3 1 1 7 4 8 12 5 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 0; 1HNMR: 79 78 d 1H J 78 | 74 72 m 10H | 72 71 tt 2H J 13 38 | 55 55 t 2H J 8 | 36 35 t 2H J 8 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(N1C(=O)c2ccccc2C1=O)C(F)(F)F
ir: 3 4 2 5 3 1 0 1 2 2 5 8 9 4 7 2 6 9 4 3 16 43 3 3 6 3 2 1 1 1 1 2 2 1 2 1 2 4 3 18 73 4 1 4 2 0 1 3 2 4 3 5 3 1 2 1 2 1 2 1 1 0 1 1 2 1 1 1 1 1 7 1 1 0 2 2 3 2 4 16 12 5 2 9 3 4 4 2 2 2 1 1 1 1 1 1 3 2 2 4 3 7 6 4 1 1 2 1 1 1 1 2 3 4 6 6 4 3 13 16 14 5 2 5 2 1 2 2 1 1 2 2 11 4 2 2 3 7 13 1 4 2 3 72 1 2 3 1 1 2 1 1 1 6 96 3 4 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 2 1 2 2 2 2 3 1 2 20 4 2 1 2 1 0 1 2 61 100 2 0 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 47 46 qt 1H J 85 112 | 29 28 ddq 1H J 20 84 150 | 27 26 ddq 1H J 20 86 149
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1csc(CC)c1
ir: 0 1 1 2 3 3 7 8 7 2 0 2 4 1 0 2 1 1 0 1 1 0 1 1 3 12 63 9 2 4 2 2 10 3 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 3 1 4 1 1 1 0 1 2 3 2 3 3 5 5 10 8 2 1 1 1 0 1 1 0 1 1 1 4 4 5 3 6 9 2 1 2 1 0 0 0 0 1 0 0 0 1 2 0 1 2 5 21 19 12 34 18 12 2 2 2 1 2 1 4 8 12 2 3 9 4 4 1 1 1 1 3 20 33 2 1 0 0 1 1 0 0 1 0 1 10 46 1 1 1 1 1 6 5 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 1 0 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 6 8 2 3 3 5 100 21 7 3 2 1 2 1 2 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; 1HNMR: 80 79 d 1H J 16 | 73 73 dt 1H J 9 18 | 44 43 q 2H J 64 | 28 28 qd 2H J 9 68 | 14 14 t 3H J 64 | 13 12 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nc3ccccc3[nH]2)ccc1F
ir: 1 1 1 3 11 4 2 1 2 3 1 2 3 7 3 2 7 4 5 3 4 2 3 8 8 7 42 100 5 6 6 3 1 3 3 1 1 3 2 0 2 6 41 68 3 1 1 2 1 1 2 2 1 2 4 21 11 7 2 1 2 2 2 3 5 9 4 2 3 5 9 9 2 1 2 2 1 1 1 1 1 1 1 2 3 3 15 12 1 5 2 1 1 1 1 1 10 6 4 1 1 1 1 2 4 16 22 4 2 3 6 4 3 4 2 2 3 1 1 1 3 3 4 2 2 1 1 2 4 2 1 1 2 8 3 3 15 14 2 1 1 6 8 12 10 1 1 2 2 1 1 4 4 13 19 16 18 2 1 4 2 1 2 66 51 5 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 3 4 6 5 12 27 12 7 3 1 1 2 1 1 1 2 2 1 1 1 1 1 2 2 1 1 3 3 7 19 63 64 37 12 2 2 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 86 86 s 1H | 74 73 m 3H | 72 71 m 3H | 70 70 dd 1H J 79 102 | 23 23 d 3H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC1=COc2ccccc2O1
ir: 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 3 4 4 4 3 4 5 4 3 4 4 3 4 5 6 5 4 100 20 2 71 0 10 17 10 16 13 8 8 11 11 28 6 16 34 6 5 5 4 4 4 4 4 5 13 8 4 20 25 17 32 10 13 9 22 27 15 10 14 8 11 12 7 5 3 3 4 6 10 5 7 8 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 3 4 4 4 5 5 6 7 10 6 9 9 7 8 8 6 9 16 22 22 21 40 25 17 24 14 12 8 11 9 6 7 15 5 4 4 4 28 7 4 4 5 3 6 4 4 4 4 4 4 4 3 4 3 4 3 4 3 3 3 3 4 3 3 4 3 3 4 4 4 4 4 4 4 4 4 3 4 3 3 3 3 3 3 3 3 3 3 4 4 4 3 4 4 4 3 4 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 4 4 4 4 4 4 4 4 4 3 3 4 4 3 3 4 3 4 4 4 4 4 4 4 4 4 4 4 6 6 5 4 23 51 12 8 6 4 5 5 4 3 6 7 5 11 17 25 14 18 12 8 8 8 34 50 61 35 5 3 6 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 70 70 m 1H | 69 69 m 2H | 69 68 dd 1H J 13 82 | 59 59 t 1H J 13 | 39 39 td 2H J 13 68 | 34 33 t 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCOc2ccccc21
ir: 2 1 0 1 2 1 0 2 2 0 0 1 2 3 1 1 1 0 0 1 1 1 0 1 2 1 1 2 1 0 0 1 1 0 0 1 1 1 1 1 33 23 11 100 2 2 1 2 1 1 0 1 1 0 1 2 7 3 2 1 1 0 1 4 3 3 1 2 2 6 13 3 2 3 4 4 7 2 1 1 1 1 6 3 2 1 2 3 1 8 5 4 3 1 1 1 1 2 1 2 1 1 2 2 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 2 2 1 1 2 1 1 1 0 1 2 1 6 1 1 1 1 7 20 7 2 1 2 9 4 0 1 1 0 1 1 0 1 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 2 3 2 4 22 7 14 13 5 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 71 70 m 2H | 69 69 dd 1H J 18 70 | 68 68 dd 1H J 17 77 | 42 42 m 2H | 36 36 m 2H | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1Cl
ir: 6 8 11 12 8 7 10 9 19 8 10 5 4 5 6 6 5 10 10 7 6 10 6 7 6 10 9 5 6 11 16 79 25 15 22 8 5 12 11 8 10 8 7 5 10 12 6 5 6 11 13 9 17 36 65 0 12 17 9 5 5 7 7 11 6 11 8 13 13 10 22 63 23 17 16 13 19 10 8 5 6 11 7 9 17 13 5 5 8 23 11 5 8 6 4 5 8 6 11 10 8 11 7 8 8 5 4 6 7 6 4 5 13 7 8 7 16 14 7 13 13 16 24 24 16 16 6 11 10 7 9 42 14 9 7 45 14 100 10 6 10 7 11 9 6 8 11 12 9 9 41 12 50 11 9 40 8 4 5 8 6 4 6 7 5 3 5 7 5 4 5 8 5 3 5 7 5 3 5 6 5 4 5 6 5 4 6 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 3 5 6 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 5 4 6 6 4 4 6 5 4 5 6 5 4 5 6 6 6 8 9 12 10 7 8 6 4 7 8 6 6 9 19 31 50 66 32 16 32 55 13 9 7 9 7 5 5 6 6 6 4 6 6 5 4 5 6 4 4 6 5 4 5 5 6 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6; 1HNMR: 77 76 dd 1H J 21 80 | 75 74 d 1H J 21 | 70 69 d 1H J 80 | 41 40 q 2H J 63 | 24 24 s 5H | 22 21 s 5H | 15 14 t 4H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1c(OCC2CC2)ccc2c(CCC3CCNCC3)noc12
ir: 6 3 4 3 2 4 4 12 7 4 5 4 3 7 2 4 2 2 3 3 2 3 3 3 2 3 7 3 3 3 4 4 6 4 5 6 9 8 8 11 4 9 4 4 3 3 3 7 3 15 10 9 21 14 23 19 7 5 6 2 4 7 5 9 3 4 4 7 4 3 6 4 2 5 2 1 1 3 3 6 4 4 4 6 11 11 15 31 34 22 7 10 9 7 4 3 5 2 3 3 3 3 1 4 6 3 3 9 11 20 10 48 11 21 24 17 18 6 6 5 4 6 8 3 4 5 8 9 25 30 7 8 5 5 2 2 8 10 2 2 2 2 2 3 5 2 8 5 4 2 4 3 4 0 8 7 2 1 1 2 15 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 2 3 3 3 4 6 3 5 3 4 5 5 5 5 9 10 13 12 13 7 6 10 6 6 25 100 10 10 5 1 5 4 4 7 6 9 23 42 10 7 1 1 2 2 2 2 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 d 1H J 90 | 68 67 d 1H J 90 | 50 49 d 2H J 57 | 40 39 d 2H J 44 | 39 39 t 1H J 57 | 34 33 p 1H J 39 | 29 28 t 2H J 80 | 28 27 dddd 2H J 26 38 53 134 | 27 26 dddd 2H J 26 40 53 134 | 18 18 td 2H J 70 81 | 17 16 m 2H | 16 15 ddq 1H J 61 71 130 | 14 13 m 3H | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC1=Nc2cc(Cl)ccc2Nc2ccccc21
ir: 18 3 2 1 1 3 3 1 1 4 1 1 1 1 1 1 0 2 3 2 1 2 2 2 1 1 5 6 1 1 1 1 2 1 1 3 1 1 1 1 2 1 21 0 1 8 2 1 1 2 6 1 1 2 3 7 1 1 1 2 1 1 1 0 1 3 8 6 2 1 1 1 2 0 1 2 1 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 2 1 1 5 2 1 1 1 2 5 1 3 1 1 1 3 11 1 1 2 1 1 1 1 1 2 2 1 1 6 1 1 1 1 1 1 1 1 1 1 2 9 4 3 1 3 2 1 5 2 1 1 2 1 2 3 2 5 13 4 2 2 8 4 1 0 1 1 1 10 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 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 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 4 3 1 9 100 16 5 3 0 1 2 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 12 4 3 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dd 1H J 15 70 | 74 73 td 1H J 16 79 | 72 72 d 1H J 18 | 72 72 m 1H | 71 71 dd 1H J 14 79 | 69 68 dd 1H J 18 75 | 68 68 d 1H J 73 | 67 67 s 1H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1ccccc1-n1ccnc1
ir: 2 3 4 2 2 7 11 2 4 11 18 19 45 20 33 3 10 6 7 2 2 3 10 12 1 3 2 5 7 16 13 4 5 4 4 15 7 6 5 12 10 4 26 23 3 9 4 1 2 3 1 0 4 18 16 2 5 5 1 1 6 4 4 15 7 30 20 3 8 3 6 4 5 2 2 1 2 2 3 6 3 4 3 9 31 28 8 12 93 12 16 19 4 6 17 5 1 1 4 25 4 5 2 5 15 15 15 5 1 1 2 1 1 2 2 3 2 3 3 2 3 2 5 7 18 13 2 3 2 1 2 3 2 1 1 2 6 10 3 2 2 9 3 3 8 5 2 6 4 12 11 7 5 2 3 3 2 2 4 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 6 13 45 100 59 31 10 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 t 1H J 21 | 84 83 t 1H J 17 | 82 81 dd 1H J 21 86 | 81 80 ddd 2H J 21 84 134 | 80 79 m 2H | 78 78 t 1H J 22 | 78 77 m 2H | 77 76 dd 1H J 17 38 | 75 74 m 4H | 72 71 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cc(C(=O)O)cc(SCc2ccccc2)c1Cl
ir: 12 40 13 8 3 3 3 9 7 1 1 4 7 11 21 15 25 7 10 9 21 47 54 6 6 5 3 2 7 8 3 2 3 2 6 40 29 11 1 4 2 7 5 9 5 1 1 2 1 1 1 1 2 2 1 1 1 0 1 1 1 1 1 3 9 31 12 11 7 7 5 4 7 2 4 2 34 49 24 51 18 14 32 29 100 67 65 65 42 12 28 13 3 3 6 10 9 15 7 5 1 6 5 7 7 3 6 2 1 2 2 4 2 4 10 7 33 51 97 50 37 10 4 4 4 22 0 3 4 1 1 2 18 13 8 22 4 1 1 3 1 1 7 32 11 26 9 6 3 3 2 2 3 2 1 2 2 0 0 0 1 1 2 1 1 0 1 1 1 0 0 0 0 1 0 0 2 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 2 1 1 2 2 2 3 3 7 6 7 14 88 35 3 2 3 2 2 3 5 56 53 11 2 0 1 1 3 2 20 48 20 13 14 31 57 64 11 6 3 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 22 | 80 79 d 1H J 22 | 75 75 s 2H | 74 73 m 4H | 73 72 m 1H | 40 40 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C3CC3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1
ir: 1 4 8 6 2 4 3 4 3 10 22 16 7 5 2 4 6 8 5 5 4 4 4 3 5 3 5 9 11 11 20 28 15 27 11 8 5 13 9 19 9 11 17 6 3 4 2 3 2 2 6 3 3 4 16 6 3 10 2 4 12 5 4 5 7 6 5 4 15 24 7 3 3 2 7 6 3 5 9 5 12 20 6 12 4 7 6 8 10 8 4 7 4 11 6 2 3 5 6 3 7 6 6 12 8 9 4 3 6 3 1 8 3 3 1 3 3 2 6 2 6 2 11 11 4 16 14 10 13 16 4 3 6 10 9 16 9 4 21 8 4 8 17 19 18 9 4 18 10 9 6 10 12 11 5 4 4 6 9 1 1 2 0 1 0 0 1 5 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 1 1 2 4 2 3 3 2 4 5 6 9 6 12 18 100 25 12 8 9 4 3 1 1 1 2 1 1 2 2 1 1 1 2 1 2 11 2 14 14 48 39 14 9 3 2 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 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; 1HNMR: 81 80 d 1H J 89 | 79 79 m 1H | 78 78 m 1H | 77 76 m 2H | 75 75 ddd 1H J 14 68 84 | 75 74 d 1H J 27 | 74 74 m 1H | 74 73 m 1H | 70 70 dd 1H J 27 88 | 65 65 d 1H J 84 | 41 40 dp 1H J 48 82 | 39 38 s 2H | 36 36 t 2H J 9 | 29 28 ddd 2H J 55 82 128 | 26 24 m 3H | 22 21 m 2H | 19 18 m 2H | 10 9 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Br)nc1)c1nn(-c2ccc(Cl)cc2)cc1CCl
ir: 4 4 9 11 5 4 5 3 1 4 8 11 4 5 6 3 5 6 30 4 2 3 4 2 2 4 6 8 2 10 6 5 29 19 16 6 7 6 4 2 3 17 20 4 5 12 7 9 14 19 8 2 17 54 100 7 29 11 3 1 2 3 3 3 6 28 8 7 8 15 8 2 3 5 2 2 5 4 1 1 3 3 4 1 4 3 2 15 8 5 5 3 24 6 2 2 4 4 3 2 5 5 2 3 5 6 9 7 6 7 4 6 4 3 0 5 6 3 1 4 4 6 5 8 18 10 6 11 16 4 2 31 7 7 42 20 10 5 3 16 40 2 1 4 5 8 18 17 4 3 39 7 19 13 25 7 4 8 3 4 4 6 3 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 3 4 3 1 2 5 5 7 7 4 25 83 24 15 14 30 9 8 3 1 4 5 2 0 4 6 2 1 3 6 1 2 6 8 15 35 33 9 4 3 3 2 3 2 2 2 2 2 3 2 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 86 d 1H J 19 | 82 81 d 1H J 9 | 77 76 dd 1H J 18 79 | 76 76 m 2H | 75 75 m 2H | 74 73 d 1H J 79 | 50 49 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1nccs1)c1ccc2c(c1)CN(c1cc(Cc3ccc(F)cc3)no1)CC2
ir: 12 5 6 11 4 5 6 10 6 3 4 7 10 9 13 13 11 21 13 7 13 3 1 6 2 2 5 11 6 3 5 8 11 4 1 2 2 4 3 3 2 1 4 3 3 7 7 1 5 5 9 6 7 8 15 57 17 5 6 2 2 1 1 1 12 43 7 3 7 7 2 15 15 4 4 2 2 1 2 4 2 2 5 7 45 47 26 12 9 5 6 2 27 5 5 8 8 15 12 7 3 3 8 2 2 1 3 3 8 3 2 3 4 4 2 1 0 2 4 7 6 11 11 8 2 2 4 7 2 3 3 5 38 31 28 31 26 15 5 5 5 6 6 2 3 15 12 27 14 16 2 4 8 6 2 2 2 12 29 4 2 6 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 2 1 2 1 1 2 2 2 2 9 7 9 44 100 32 23 7 2 2 2 3 1 1 2 2 1 2 2 2 2 1 2 1 2 1 4 10 16 20 14 21 17 3 5 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 dt 1H J 8 19 | 77 77 dd 1H J 22 92 | 75 75 ddt 2H J 9 35 81 | 72 72 m 2H | 71 70 m 2H | 68 68 d 1H J 46 | 60 60 t 1H J 9 | 47 47 d 2H J 10 | 41 41 q 2H J 9 | 38 38 m 2H | 30 29 ddd 2H J 8 51 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2cccc3c2C(CCC3N2CCCC2)C1c1ccccc1
ir: 5 4 9 3 3 1 1 3 3 6 2 4 8 1 1 3 3 4 9 3 3 8 4 5 10 12 3 4 3 1 6 29 13 9 4 5 10 6 14 100 8 18 4 9 10 3 3 16 29 6 8 4 4 0 2 7 2 0 2 3 3 1 6 7 4 1 2 6 9 9 63 6 4 1 2 5 10 2 8 10 10 21 6 4 6 1 3 17 14 34 5 9 9 7 8 5 12 19 10 12 1 3 4 6 4 7 7 8 8 4 6 9 2 2 4 3 3 7 8 6 10 8 8 7 5 4 5 3 1 4 8 9 4 4 13 40 8 12 16 4 6 20 21 25 5 4 13 29 3 3 25 3 2 2 2 2 2 4 5 29 5 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 3 1 3 4 9 5 3 5 4 2 8 6 17 14 30 94 57 6 4 5 3 2 3 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 74 dd 1H J 11 80 | 74 72 m 6H | 72 71 dt 1H J 9 88 | 54 53 m 1H | 39 38 dt 1H J 57 81 | 37 37 m 1H | 30 29 m 2H | 28 27 m 2H | 23 23 s 2H | 23 22 ddt 1H J 57 82 126 | 22 21 ddt 1H J 59 82 121 | 21 20 ddt 1H J 57 82 126 | 20 18 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2ccsc2n1Cc1ccccc1
ir: 2 1 0 3 3 2 5 3 3 6 1 2 3 1 1 2 3 8 8 3 2 1 1 2 2 1 1 2 2 3 5 4 3 2 40 57 13 6 13 40 12 5 7 44 41 4 2 5 2 0 3 4 1 0 1 3 1 0 3 7 1 0 2 5 2 3 4 5 10 14 4 5 15 12 7 3 2 6 5 2 3 5 5 7 1 1 3 2 11 77 3 2 2 2 5 3 2 8 11 4 2 2 2 8 19 70 4 3 0 2 2 1 1 2 3 2 2 3 12 4 4 2 3 8 4 3 4 3 1 4 10 22 17 7 18 52 10 4 3 2 2 5 14 38 5 11 17 8 7 3 2 6 9 2 3 2 2 2 12 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 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 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 2 3 4 5 11 11 9 13 14 32 95 34 100 39 15 6 2 5 3 3 2 3 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 74 d 1H J 42 | 74 72 m 6H | 72 72 dd 1H J 20 42 | 60 60 dd 1H J 11 19 | 54 54 t 2H J 9 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nc(C=C2CCOC2=O)nc(C(C)(C)C)c1O
ir: 3 2 1 3 4 6 3 7 11 6 6 5 3 2 3 4 2 5 8 9 7 11 6 3 3 3 3 6 3 2 2 1 1 2 1 3 3 5 3 2 2 15 21 25 36 34 6 5 5 3 8 14 3 4 2 2 2 2 2 3 12 19 18 2 6 7 4 14 11 4 4 2 1 2 2 2 2 2 2 3 2 1 3 14 16 31 45 10 4 3 2 2 6 12 6 8 7 4 4 5 3 7 33 5 3 2 1 2 3 5 4 10 8 6 12 7 4 8 8 8 6 12 4 4 9 7 6 9 20 15 10 9 3 5 1 2 2 1 1 1 1 3 3 18 14 2 3 20 61 38 67 46 5 1 1 2 2 1 4 4 5 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 2 3 4 4 3 3 3 2 3 2 2 2 2 3 3 3 4 12 10 13 12 6 3 2 2 3 1 0 15 72 100 9 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 t 1H J 9 | 66 66 s 1H | 39 39 t 2H J 41 | 30 30 td 2H J 9 41 | 15 15 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc(C(=C2CCCCCC2)c2ccc(Br)c(F)c2)c1
ir: 2 1 3 3 1 3 2 1 2 1 2 1 3 4 5 3 6 2 2 3 3 5 3 1 1 2 2 2 1 3 8 6 3 2 2 1 2 2 3 3 3 2 5 6 3 8 18 8 5 8 3 2 3 4 5 6 4 2 1 1 1 2 2 0 3 12 12 56 16 27 28 12 3 2 3 6 10 17 9 11 28 16 100 13 2 2 7 5 3 4 12 5 6 7 3 4 1 1 2 1 1 2 2 2 1 1 2 3 1 3 10 5 7 5 8 3 2 4 2 5 10 8 15 8 4 5 4 2 2 2 2 2 1 1 2 2 2 2 4 5 18 10 7 2 1 2 4 13 3 2 4 4 28 6 3 9 7 1 1 2 2 35 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 2 2 2 1 1 2 1 2 2 1 2 1 3 4 3 2 2 2 2 5 2 6 11 15 24 70 35 20 7 5 5 1 5 72 10 3 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 77 76 dd 1H J 48 96 | 73 72 dd 1H J 77 84 | 72 71 m 2H | 71 70 ddd 1H J 13 22 77 | 69 68 t 1H J 22 | 68 68 ddd 1H J 12 21 84 | 67 67 s 1H | 24 22 m 4H | 17 16 m 4H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(CCO)c[nH]1
ir: 7 4 0 2 3 3 1 2 4 6 9 9 3 4 1 3 3 1 0 2 2 1 3 3 3 2 2 3 4 1 3 3 3 5 6 5 16 11 27 31 19 14 17 20 9 5 5 4 3 4 17 19 18 8 4 8 4 1 4 4 12 6 8 11 7 2 5 3 3 3 3 3 5 5 9 15 10 6 4 6 8 25 38 23 25 61 27 31 40 32 6 17 17 15 19 39 32 16 12 23 19 63 85 18 8 6 9 16 14 21 12 28 17 13 15 40 23 9 22 9 16 22 8 15 11 11 10 16 33 24 9 13 9 8 13 10 17 25 31 17 18 19 16 4 6 3 4 4 2 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 0 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 4 4 4 6 7 6 8 7 10 9 17 12 20 18 21 18 25 38 40 45 46 56 49 55 23 16 12 13 22 34 78 100 85 19 9 9 6 4 3 2 3 3 1 1 2 2 1 1 3 2 1 3 4 3 2 1 2 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 87 d 1H J 53 | 70 70 dt 1H J 9 55 | 40 39 m 3H | 29 29 td 2H J 9 54 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1=NS(=O)(=O)c2sc(Cl)cc2N1
ir: 8 8 8 8 9 15 16 31 11 12 8 8 9 9 11 11 20 12 7 8 8 10 12 29 14 12 12 16 13 15 18 15 19 13 13 9 11 7 9 8 7 7 7 8 8 7 7 8 8 7 8 11 16 23 12 13 17 9 9 9 7 7 8 10 8 6 7 9 8 8 12 20 17 25 29 12 7 7 8 9 7 50 9 12 0 60 8 10 11 8 6 6 7 7 7 7 7 7 7 7 7 7 7 8 10 13 11 7 8 8 7 8 10 9 8 8 7 8 8 14 13 8 7 8 8 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 10 7 9 9 17 35 9 45 28 14 10 8 8 7 14 34 15 9 9 7 8 8 10 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 12 11 9 8 7 8 7 7 8 8 7 7 7 8 7 7 8 9 8 8 8 10 10 5 100 71 45 14 8 8 8 9 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 82 82 s 1H | 74 74 s 1H | 65 65 q 1H J 42 | 29 29 d 3H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(C2CN(Cc3ccccc3)CCO2)cc1
ir: 3 3 5 10 21 3 5 3 3 4 3 7 5 9 7 4 10 8 2 3 12 5 2 3 3 9 2 3 3 2 4 7 20 22 3 3 3 2 5 20 29 20 3 4 3 5 6 5 4 3 4 13 18 8 46 24 30 6 5 4 17 1 2 5 4 2 4 6 16 0 16 5 3 2 18 4 7 14 8 18 77 31 28 21 17 5 4 9 6 47 13 4 5 6 7 4 4 4 7 13 37 5 3 3 2 2 5 2 2 3 2 2 2 2 3 2 3 3 5 2 2 10 4 4 4 3 4 9 1 6 4 3 2 3 7 25 3 3 3 2 2 4 14 5 9 5 5 12 32 15 4 6 15 4 3 2 2 2 2 1 2 8 3 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 3 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 1 2 2 2 1 2 2 1 2 2 2 1 2 2 3 2 3 4 5 3 3 3 3 2 3 3 3 3 2 3 3 1 4 6 14 5 27 92 29 27 5 5 7 10 6 100 18 3 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 79 s 1H | 73 72 m 5H | 72 72 m 2H | 68 68 m 2H | 51 50 td 1H J 8 30 | 39 39 ddd 1H J 31 58 104 | 38 38 ddd 1H J 31 58 104 | 37 36 m 2H | 32 32 dd 1H J 32 122 | 29 29 dd 1H J 32 122 | 28 28 ddd 1H J 31 58 125 | 27 26 ddd 1H J 31 58 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)/C=C/c1ccc(C)cc1
ir: 9 7 10 7 23 15 22 67 79 14 5 22 22 7 3 14 18 4 20 11 34 5 12 15 36 15 16 18 14 7 13 21 18 13 5 25 6 15 69 8 24 14 7 13 8 9 4 3 3 4 5 4 17 81 13 5 8 3 4 6 9 6 4 8 6 23 4 9 15 12 18 5 3 5 9 4 3 13 16 69 58 18 5 100 20 11 74 37 48 30 16 9 9 10 7 24 45 26 32 34 37 25 10 14 4 9 11 16 3 4 8 2 4 3 5 4 1 4 9 6 5 5 11 4 5 27 4 7 5 8 7 4 6 13 6 2 1 3 4 1 1 4 3 3 11 19 13 50 30 7 3 1 11 6 3 1 2 4 2 6 2 3 2 1 2 4 4 2 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 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 3 4 2 1 3 3 2 1 2 3 1 1 3 2 1 1 3 3 1 1 3 3 1 1 3 3 1 4 4 3 1 3 5 2 2 3 4 6 4 7 10 7 8 48 67 22 6 39 92 54 21 12 87 45 5 3 5 2 1 2 2 2 2 3 3 3 22 27 18 5 6 4 4 2 2 3 3 1 2 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 3 1 2 3 2 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 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 76 75 m 1H | 75 74 m 2H | 74 73 m 2H | 70 69 m 1H | 65 64 d 1H J 163 | 47 46 m 1H | 46 46 m 2H | 40 39 ddd 1H J 37 46 119 | 39 37 m 5H | 37 36 dddd 1H J 32 58 77 90 | 35 35 d 3H J 15 | 23 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCC(O)COc1ccc2c(c1)OC(C)(C)CC2c1ccccc1
ir: 1 0 1 3 2 2 1 1 3 1 3 1 2 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 0 1 4 1 2 2 1 1 2 1 1 4 17 3 15 6 4 2 3 3 5 7 6 3 2 6 4 8 5 7 2 3 3 2 2 2 2 3 14 7 8 4 6 2 4 3 3 2 2 3 7 7 2 1 1 1 1 2 3 12 26 29 6 4 1 2 2 3 4 3 3 2 1 1 1 2 2 2 2 2 3 2 2 5 5 4 6 10 10 3 3 2 2 3 1 2 4 1 1 1 3 4 6 3 8 8 6 16 3 0 1 1 1 1 1 1 5 3 2 1 2 0 7 4 3 6 0 1 1 0 0 1 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 1 1 1 1 1 0 1 2 0 1 1 2 1 3 6 4 9 11 100 15 5 2 0 2 2 10 65 17 4 1 2 1 2 1 2 3 8 37 32 14 7 1 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 6H | 72 71 dd 1H J 7 84 | 67 66 dd 1H J 23 85 | 65 64 d 1H J 23 | 44 44 td 1H J 7 64 | 41 41 dd 1H J 47 128 | 40 39 dt 1H J 48 55 | 39 38 m 3H | 29 29 ddd 1H J 48 61 130 | 27 27 ddd 1H J 49 62 132 | 25 24 d 3H J 49 | 23 23 dd 1H J 62 139 | 21 20 dd 1H J 62 139 | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(Oc2cccc(-n3c(-c4nonc4N)nc4cnccc43)c2)CC1
ir: 4 3 4 7 4 4 6 4 15 36 20 15 9 9 11 4 6 5 5 7 14 13 21 8 8 10 5 7 10 13 3 5 5 4 5 9 7 5 4 3 3 1 2 2 3 8 9 3 4 5 3 4 2 3 3 6 3 2 2 3 2 1 3 4 5 6 4 15 13 5 3 1 2 2 10 6 4 4 5 11 20 11 13 18 4 2 3 3 2 5 14 3 5 3 2 2 3 7 4 2 14 2 2 3 2 6 20 8 6 7 8 38 10 15 5 3 2 3 5 2 2 2 3 2 5 16 9 8 4 3 3 2 2 5 14 3 2 2 2 4 9 8 3 2 2 1 2 1 7 3 3 12 8 6 5 2 8 9 72 35 10 6 23 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 2 4 3 2 2 2 3 5 12 8 8 23 22 6 3 1 2 2 2 1 2 2 1 0 2 3 1 0 9 100 17 6 1 0 2 2 1 1 2 2 1 3 67 4 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 d 1H J 14 | 84 83 dd 1H J 14 47 | 76 75 d 1H J 47 | 74 73 dd 1H J 64 77 | 73 72 ddd 1H J 11 21 64 | 72 71 t 1H J 21 | 69 68 ddd 1H J 12 22 77 | 65 65 s 2H | 44 43 p 1H J 44 | 29 28 ddd 2H J 60 87 119 | 27 26 ddd 2H J 59 86 119 | 23 23 s 2H | 22 21 dddd 2H J 44 59 86 129 | 19 18 dddd 2H J 45 60 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OCc3ccccc3)cc21
ir: 3 6 12 5 3 7 11 19 7 12 9 7 14 4 3 6 2 1 3 6 4 5 7 8 8 3 3 3 7 27 55 37 10 4 3 3 7 5 6 17 60 21 8 3 3 5 2 1 1 2 2 1 2 4 50 25 4 7 2 3 3 2 3 4 5 11 10 19 28 45 12 1 5 8 3 6 6 4 6 2 2 5 4 10 5 3 4 3 12 5 3 6 5 5 3 4 6 5 5 3 4 3 7 12 8 7 4 13 2 4 7 3 2 5 7 4 5 9 13 6 11 5 3 4 8 8 14 4 7 26 26 9 17 14 30 86 36 28 28 5 4 5 18 78 20 26 66 21 20 2 1 7 11 10 20 15 7 2 1 1 1 1 1 10 1 4 6 3 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 3 2 2 2 1 1 2 2 4 2 4 5 7 15 32 41 51 30 100 88 30 18 22 18 10 2 3 1 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 79 79 d 1H J 158 | 78 78 m 1H | 77 76 d 1H J 42 | 74 73 m 6H | 72 71 d 1H J 20 | 69 68 m 2H | 63 63 d 1H J 156 | 51 50 d 2H J 9 | 42 41 q 2H J 61 | 40 40 s 3H | 24 24 s 3H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1nccc2c1C(C)Oc1cc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1-2
ir: 14 9 10 7 10 13 8 7 5 15 8 9 5 7 4 28 10 16 17 7 8 9 5 4 9 11 21 25 33 59 41 82 15 14 27 32 21 10 24 8 3 5 2 2 7 8 11 11 43 18 7 5 3 2 4 3 12 13 6 4 5 23 5 4 2 1 8 14 13 27 14 23 30 15 11 22 65 20 10 4 5 5 9 2 2 1 0 0 2 2 2 1 1 2 1 7 19 8 6 8 2 1 2 2 2 7 5 6 16 10 13 14 5 16 6 7 9 9 6 7 10 6 10 12 6 7 3 8 5 11 19 27 15 4 5 4 2 9 5 3 4 11 36 69 50 71 99 20 28 35 26 42 52 75 15 15 45 9 3 15 9 1 2 2 1 0 3 7 47 14 5 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 3 3 7 7 3 4 6 6 6 5 7 5 8 12 15 15 57 21 15 100 29 32 28 4 5 3 4 1 2 2 2 1 1 2 2 2 3 2 3 7 18 37 33 22 63 50 18 4 2 1 3 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 83 82 d 1H J 48 | 75 75 d 1H J 84 | 75 74 d 1H J 49 | 68 67 dd 1H J 23 85 | 66 66 d 1H J 22 | 55 54 q 1H J 59 | 46 45 d 1H J 79 | 42 42 dd 1H J 42 121 | 40 39 dd 1H J 43 122 | 39 38 qt 1H J 43 75 | 22 22 s 3H | 18 17 d 3H J 57 | 17 16 m 1H | 16 15 dt 1H J 74 137 | 14 14 s 8H | 14 13 dt 1H J 74 138 | 10 9 d 3H J 66 | 9 8 d 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1
ir: 5 5 4 5 4 5 3 4 3 4 4 3 3 3 3 3 4 4 3 5 9 5 30 5 9 4 8 8 4 4 20 6 6 4 4 4 4 6 6 15 29 28 10 22 22 100 77 12 5 17 4 0 4 6 3 2 3 5 2 1 3 8 4 2 3 4 3 1 6 6 7 4 4 3 3 4 4 3 6 4 3 3 2 6 6 3 2 2 3 5 10 4 3 2 2 3 4 3 3 2 2 2 4 9 8 3 2 2 3 2 2 2 3 2 2 2 4 3 3 3 5 4 3 3 2 2 3 4 4 12 8 5 3 2 2 2 2 4 46 6 3 3 3 12 19 12 29 4 7 6 7 28 54 32 8 5 7 24 19 24 12 2 3 4 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 8 6 10 27 13 6 4 2 2 3 2 2 2 2 2 2 2 2 2 2 5 28 7 3 5 6 5 25 16 7 5 5 3 7 33 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 84 84 m 2H | 81 80 m 2H | 76 76 s 1H | 76 74 m 7H | 72 72 s 2H | 30 29 s 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cncc(-c2c[nH]c(=O)c(Nc3nccc4ccccc34)c2)n1
ir: 1 2 1 1 0 9 6 5 5 2 2 4 5 4 8 15 13 21 10 7 7 7 10 6 8 6 7 6 12 7 8 5 15 23 2 2 5 5 63 16 7 9 4 3 6 6 5 1 5 56 39 6 3 2 4 2 1 1 1 1 1 2 1 1 1 12 5 1 3 4 2 2 1 3 5 15 15 6 1 3 4 2 11 1 4 2 1 1 1 1 0 1 0 1 2 1 2 13 19 3 1 1 1 1 1 1 1 1 1 2 5 2 4 20 4 2 7 4 6 7 8 13 6 23 15 1 0 1 2 2 3 2 3 5 8 25 7 6 36 21 6 2 1 7 13 7 30 12 9 3 4 21 9 4 2 4 25 1 6 12 4 1 1 1 2 3 26 6 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 2 5 5 7 16 5 9 8 1 1 1 0 1 1 1 1 0 1 1 1 1 1 2 2 5 5 13 61 100 45 6 13 7 5 4 3 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 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; 1HNMR: 88 88 s 1H | 85 85 d 1H J 18 | 82 82 m 2H | 81 81 dd 1H J 13 75 | 80 80 d 1H J 16 | 80 79 d 1H J 14 | 78 77 m 1H | 76 75 m 2H | 75 74 dd 1H J 12 49 | 60 59 q 1H J 51 | 30 30 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCN(C)C(=O)C1
ir: 8 11 15 7 5 6 4 5 3 4 5 5 4 4 5 5 4 6 9 5 11 22 13 17 5 18 21 8 6 11 9 7 8 15 14 10 5 5 5 3 5 8 6 6 6 6 9 7 7 31 16 5 8 8 6 7 7 5 4 4 4 5 8 8 8 10 11 47 72 25 22 7 6 6 8 5 6 6 4 3 4 5 5 9 5 6 4 4 5 4 5 3 6 5 5 5 12 87 5 100 1 5 37 13 9 8 9 13 5 11 8 6 4 6 7 4 3 4 5 5 5 10 16 14 11 10 7 9 4 7 4 3 4 4 4 7 6 5 4 3 6 9 17 17 35 7 7 4 4 30 10 2 6 10 10 13 21 66 6 12 6 0 3 7 4 2 4 29 4 0 3 5 3 1 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 2 3 4 4 3 3 5 4 4 4 5 3 3 4 6 7 12 17 15 11 48 30 13 10 7 4 5 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 4 5 7 6 17 24 14 10 5 3 2 4 3 3 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 86 85 s 1H | 76 76 s 1H | 76 76 s 1H | 74 73 m 2H | 73 72 s 1H | 72 71 d 1H J 71 | 62 61 q 1H J 8 | 42 41 dd 1H J 55 117 | 40 39 dd 1H J 55 116 | 39 38 s 3H | 35 34 ddd 1H J 62 90 119 | 33 32 ddd 1H J 62 90 121 | 29 29 s 3H | 28 27 dd 1H J 70 150 | 25 24 m 1H | 24 24 s 3H | 24 23 m 1H | 21 20 ddt 1H J 63 89 126 | 18 17 ddt 1H J 63 90 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
ir: 1 2 1 3 2 1 3 2 2 2 1 2 2 1 3 2 2 3 2 2 1 2 2 1 1 2 1 3 3 2 2 2 1 2 4 6 17 14 6 6 5 9 12 13 32 10 9 4 2 2 2 3 2 3 2 2 2 1 1 1 1 2 1 2 2 5 3 1 1 2 1 1 3 2 2 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 3 3 3 10 1 1 1 1 1 2 1 1 1 1 1 1 1 7 3 5 3 20 19 7 10 6 12 3 3 9 13 25 10 1 1 5 9 18 3 5 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 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 4 9 9 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 3 8 9 3 2 1 4 25 2 2 1 4 25 100 8 1 0 2 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 86 85 m 2H | 75 74 dd 1H J 34 78 | 74 73 m 2H | 72 71 qd 2H J 14 88 | 64 64 s 2H | 63 62 s 2H | 58 57 dd 2H J 8 39 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1C(=O)N(C2CCN(Cc3cccc(CO)c3)CC2)C(c2ccccc2)c2ccccc21
ir: 3 3 1 2 2 1 2 2 1 1 1 3 3 2 2 1 2 1 1 2 1 0 1 0 0 1 1 0 1 1 3 2 16 3 1 1 2 5 2 1 5 3 8 12 6 6 16 10 5 2 1 0 1 1 1 3 1 2 1 1 1 1 2 1 1 1 2 3 4 2 2 0 1 1 2 2 1 2 3 6 4 2 3 2 5 7 11 10 5 3 6 6 6 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 2 4 2 1 1 2 3 2 6 4 5 10 16 3 2 1 2 10 2 5 3 1 2 2 2 2 2 17 8 4 8 5 3 1 0 0 1 1 1 4 2 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 1 0 0 0 1 0 0 0 1 0 1 1 1 1 2 2 1 2 6 2 4 1 2 2 4 5 9 10 7 29 18 7 2 2 4 2 24 100 16 11 3 2 1 0 1 0 0 1 1 1 1 1 2 1 2 2 2 6 2 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 10H | 72 72 m 1H | 72 71 m 2H | 72 71 tp 1H J 9 20 | 56 55 s 1H | 46 46 dt 2H J 8 56 | 44 43 p 1H J 57 | 39 39 t 2H J 68 | 36 36 d 2H J 9 | 28 27 ddd 2H J 53 81 119 | 25 24 ddd 2H J 53 81 119 | 24 23 t 1H J 57 | 22 21 ddt 2H J 55 81 117 | 19 18 ddt 2H J 55 81 119 | 17 16 dtd 2H J 68 77 146 | 11 10 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2c1C(C)(C)N(C(=O)C(C)(C)C)C2
ir: 7 9 7 5 1 2 2 2 4 3 4 4 1 3 7 2 3 2 2 1 1 5 1 2 1 2 2 0 6 2 1 4 3 6 3 3 4 4 5 2 3 2 4 4 10 38 100 50 9 5 5 1 2 4 4 12 10 3 4 0 1 2 5 2 4 2 5 1 1 3 1 1 2 2 4 1 2 2 2 2 2 2 3 1 1 6 10 5 3 1 2 5 1 4 1 2 2 2 0 1 2 1 1 1 1 14 4 2 4 2 2 3 3 2 2 3 3 4 3 9 28 9 2 2 9 3 3 3 4 7 4 6 9 7 3 2 2 1 6 7 2 5 11 12 4 3 17 10 30 7 5 28 7 5 21 89 5 3 2 1 1 0 6 3 1 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 2 4 9 12 6 12 29 7 3 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 7 11 7 13 16 15 4 2 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H | 74 73 m 2H | 46 46 s 2H | 45 45 q 2H J 59 | 18 17 s 6H | 15 14 t 4H J 59 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CC)NC(=O)C2(CC(C)(C)NC(C)(C)C2)O1
ir: 5 3 4 3 2 4 5 6 5 5 2 5 7 3 4 6 10 12 7 14 4 4 4 3 13 13 5 6 4 12 34 21 8 6 2 3 2 2 2 2 2 1 5 8 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 1 1 3 2 2 1 2 2 1 1 3 4 1 1 1 1 1 1 2 1 1 2 2 4 3 1 2 2 2 2 3 3 4 3 4 2 2 2 2 3 7 2 9 5 2 1 2 2 0 4 8 9 5 7 10 8 5 6 5 6 6 13 12 6 21 15 11 7 8 7 24 14 7 7 4 3 2 1 1 1 1 1 1 1 2 1 3 15 46 100 19 3 1 2 1 0 1 1 1 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 2 2 1 2 2 3 2 1 2 2 1 4 13 14 5 4 1 1 1 1 1 1 1 1 1 1 2 3 2 4 3 3 4 6 17 18 30 13 21 46 43 30 17 4 4 1 1 2 2 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 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 0 0 0 1 0 0; 1HNMR: 69 69 s 1H | 27 27 s 1H | 24 23 d 2H J 146 | 21 21 d 2H J 146 | 20 19 m 2H | 17 16 m 2H | 14 13 s 5H | 13 12 s 5H | 10 9 t 7H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C2CC2)nc2ccc(-n3ccc(Br)cc3=O)cc21
ir: 1 1 1 1 1 5 1 1 2 2 1 1 1 1 1 3 5 15 4 7 2 1 1 1 2 3 2 4 1 2 1 2 2 1 3 7 3 4 4 13 9 43 4 1 1 5 1 0 1 4 3 4 18 20 14 11 3 0 1 1 2 2 1 1 1 2 15 29 14 1 2 2 1 0 2 3 3 1 1 1 1 1 2 2 2 4 9 18 4 4 5 2 2 2 1 1 1 2 3 1 0 1 1 3 2 1 1 1 4 2 2 2 0 1 1 1 1 1 1 1 1 2 8 3 1 5 5 4 1 1 1 1 1 1 2 1 1 2 27 9 3 1 1 2 2 9 26 3 6 16 9 13 4 5 23 25 3 2 2 1 2 100 6 2 8 3 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 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 2 6 6 2 1 6 6 34 30 72 18 5 6 4 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; 1HNMR: 79 79 d 1H J 70 | 78 77 d 1H J 19 | 77 77 d 1H J 75 | 77 76 dd 1H J 21 74 | 69 68 dd 1H J 13 69 | 68 68 d 1H J 13 | 38 38 s 2H | 32 31 p 1H J 53 | 12 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(C#CC(C)(C)C)s1
ir: 1 4 2 2 16 2 2 1 10 4 3 4 5 10 3 1 0 2 8 9 100 1 1 5 3 1 0 2 2 1 1 2 2 1 2 6 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 4 3 1 2 1 1 1 2 2 4 68 26 0 3 2 1 1 2 2 2 2 2 2 5 2 2 4 14 2 1 1 1 1 2 1 2 1 2 5 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 2 16 4 19 15 13 3 1 4 4 5 12 54 53 8 5 17 1 2 4 13 5 2 2 1 1 1 2 1 1 2 2 0 0 3 3 1 26 20 2 9 3 1 1 1 10 0 1 2 2 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 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 2 3 3 2 1 1 1 3 1 1 2 2 2 4 10 16 5 4 7 11 13 62 12 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 64 | 72 71 d 1H J 64 | 44 43 q 2H J 64 | 14 13 t 4H J 63 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2cccc(OCCCCl)c2)n(-c2cccc(Cl)c2)n1
ir: 1 2 1 1 5 3 8 7 7 3 1 1 1 2 3 2 1 1 1 1 1 2 1 1 1 1 1 2 2 5 2 4 3 2 1 2 14 2 2 0 1 2 1 3 1 3 2 10 18 2 3 1 3 1 1 0 0 1 1 0 1 1 2 2 1 0 13 3 19 10 4 2 3 2 5 12 5 8 4 9 3 5 3 1 1 1 0 1 8 2 6 0 1 1 1 2 1 1 1 1 1 1 1 5 6 2 1 3 1 1 1 3 3 6 2 4 2 5 4 5 5 5 1 4 8 5 5 5 5 27 6 2 1 3 18 11 2 2 2 9 5 19 6 3 1 1 1 1 1 1 2 6 8 3 18 23 2 4 3 2 1 13 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 2 1 1 3 4 1 16 9 13 100 33 21 10 3 1 1 3 2 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 t 1H J 21 | 76 76 ddd 1H J 12 22 73 | 75 74 dd 1H J 73 81 | 74 74 m 2H | 74 73 m 2H | 73 72 t 1H J 21 | 69 68 ddd 1H J 13 22 79 | 44 44 q 2H J 64 | 41 41 t 2H J 49 | 38 37 t 2H J 38 | 22 22 tt 2H J 37 49 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2ccc(F)cc2nc(CCl)n1-c1ccccc1Cl
ir: 7 9 8 7 8 9 13 18 8 7 8 9 9 8 9 8 7 8 8 8 7 7 9 9 13 11 8 7 7 8 9 9 11 14 8 9 8 11 17 14 13 30 74 22 8 12 30 40 10 10 8 8 9 9 9 14 9 9 7 6 8 9 8 10 10 10 8 15 25 12 8 8 8 8 8 8 8 10 9 7 8 11 10 7 8 8 8 12 15 11 7 8 8 8 8 8 8 8 9 9 11 14 8 8 8 8 8 10 9 8 7 8 13 13 7 8 9 9 8 8 8 7 7 8 9 7 7 8 13 9 8 13 20 19 15 8 23 16 15 9 9 15 9 14 26 20 9 30 29 11 8 8 17 22 9 10 10 20 19 9 7 10 8 0 9 5 7 9 7 6 7 8 7 7 7 8 7 7 8 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 8 8 7 7 8 7 7 7 8 8 7 8 8 9 9 10 11 8 8 9 10 8 8 21 14 19 100 61 14 11 10 9 8 8 8 8 8 7 8 7 8 7 7 8 8 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8; 1HNMR: 84 84 dd 1H J 50 90 | 76 76 dd 1H J 14 74 | 74 73 m 3H | 72 71 m 2H | 44 43 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H](CI)NC(=O)OCc1ccccc1
ir: 2 4 3 3 1 2 1 3 3 3 0 1 1 0 0 0 1 1 1 0 1 1 1 1 0 3 9 14 29 68 14 24 13 5 6 10 8 5 4 2 3 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 1 0 1 1 0 1 1 1 3 1 1 2 1 1 2 1 0 2 1 2 3 4 1 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 2 3 2 3 5 1 1 1 1 0 1 2 3 1 1 2 1 1 1 1 1 1 0 1 3 4 6 3 2 2 3 8 3 2 5 3 6 2 1 1 3 1 1 2 1 3 11 100 33 9 8 12 5 5 87 5 6 2 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 0 1 3 1 1 0 1 1 1 3 6 20 4 8 28 4 5 2 1 1 1 3 1 1 0 0 1 0 0 0 0 0 0 1 1 1 2 9 29 25 6 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 6H | 57 56 d 1H J 81 | 55 55 t 1H J 59 | 51 51 s 2H | 41 40 dp 1H J 38 76 | 34 33 m 2H | 32 31 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc2cc(N)ccc2[nH]1
ir: 9 4 7 11 0 6 6 6 2 3 8 3 1 3 4 2 1 100 1 3 3 2 2 4 3 2 3 3 2 3 4 27 3 6 5 3 3 3 3 2 2 2 3 2 2 2 3 2 2 3 3 1 3 18 13 3 3 2 2 2 3 2 2 2 2 2 3 8 7 2 2 2 2 2 2 2 3 2 3 4 3 3 2 2 2 2 2 3 4 5 4 2 4 4 3 2 2 2 3 3 2 2 2 5 5 3 2 2 3 3 2 2 2 2 2 2 3 3 7 8 3 3 5 7 4 2 2 6 0 2 3 2 2 6 5 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 2 2 4 6 5 5 12 5 5 3 1 2 5 7 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 2 2 3 3 3 3 3 8 9 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 15 10 4 3 3 3 3 5 4 14 14 11 25 27 6 1 2 3 3 3 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 74 d 1H J 77 | 69 69 d 1H J 21 | 66 66 dd 1H J 22 75 | 53 53 s 2H | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CSCCOCCOCCO)cc1
ir: 6 4 2 4 2 4 7 8 16 3 5 2 5 3 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 4 2 2 2 13 18 1 2 3 4 2 2 2 2 1 1 2 3 5 11 12 19 5 3 3 4 6 10 3 5 9 6 12 7 3 13 10 5 1 1 2 0 2 2 1 1 3 3 4 4 17 83 13 6 10 7 3 19 9 3 4 6 7 2 1 0 1 1 1 1 2 3 8 6 3 3 4 3 2 1 1 2 2 3 2 1 2 3 2 2 4 5 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 16 31 10 3 1 12 3 1 1 1 1 1 0 0 2 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 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 3 1 4 2 1 1 4 26 23 13 20 36 6 7 3 2 5 5 6 100 14 3 2 3 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 2H J 9 78 | 69 68 m 2H | 38 38 s 2H | 37 37 m 2H | 37 37 s 2H | 37 36 m 8H | 31 30 m 1H | 28 27 t 2H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCCOc1nc2c(cc1F)CCC(=O)N2
ir: 2 1 0 1 2 1 11 3 13 10 3 1 1 1 2 2 1 1 2 7 7 3 2 3 4 9 2 2 2 9 35 12 5 1 3 10 10 63 100 11 10 5 5 2 3 5 6 3 2 3 1 2 1 3 7 2 2 1 3 4 6 14 7 4 6 7 2 3 3 3 3 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 4 1 2 2 20 7 2 3 3 12 4 6 4 2 2 5 2 2 3 11 5 3 4 6 7 3 3 7 5 3 6 3 4 2 1 2 1 1 2 2 3 6 16 39 5 2 1 1 1 1 2 2 1 1 5 7 2 11 14 30 10 14 15 43 20 5 3 2 13 14 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 2 1 1 2 2 2 2 3 3 2 2 1 2 2 1 2 25 20 1 1 23 19 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 5 12 24 24 63 23 2 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; 1HNMR: 97 97 tt 1H J 9 55 | 93 92 s 1H | 73 72 dt 1H J 9 121 | 43 42 m 2H | 30 30 ddd 2H J 9 69 79 | 28 27 m 2H | 24 24 td 2H J 55 90 | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.