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)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
ir: 2 2 0 1 4 5 2 2 2 2 1 1 1 2 1 1 1 1 4 1 7 3 3 2 6 4 4 3 3 2 1 1 1 2 2 0 1 2 2 2 3 14 10 2 4 3 2 1 1 1 2 1 1 3 1 1 2 2 1 12 3 4 7 17 8 47 34 12 10 9 3 2 13 6 6 4 15 17 19 20 100 75 17 9 3 5 12 6 37 15 4 1 4 7 14 6 4 3 8 3 6 21 1 2 3 2 4 2 2 3 1 1 3 2 1 5 22 4 13 12 15 7 7 8 4 7 2 3 5 19 7 4 16 13 3 3 3 2 1 2 7 22 18 3 2 1 0 1 4 14 1 1 1 0 0 0 1 0 1 2 3 1 2 7 3 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 0 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 3 6 5 1 1 2 1 2 2 4 3 4 6 7 26 86 21 10 73 57 9 6 3 3 2 5 47 14 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 71 71 s 2H | 66 65 s 1H | 36 36 p 1H J 55 | 14 14 s 17H | 13 13 d 7H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
ir: 0 2 2 1 2 1 2 2 1 2 4 2 2 13 2 11 2 3 3 1 0 4 1 1 1 1 1 2 3 1 0 1 2 2 3 1 2 2 12 2 1 2 2 0 1 0 1 1 3 1 1 0 1 4 5 7 6 10 2 1 1 1 1 1 0 3 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 4 1 1 5 0 0 0 0 0 0 0 1 6 8 8 1 1 2 0 1 1 1 0 3 3 13 13 2 3 6 3 5 4 5 12 8 15 9 8 8 44 7 2 6 6 7 7 3 2 5 2 2 0 2 1 0 1 1 2 14 7 3 2 2 2 100 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 1 1 1 1 2 1 2 3 14 5 12 35 7 4 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dq 2H J 13 113 | 78 78 m 2H | 37 36 m 2H | 36 35 m 5H | 34 34 t 2H J 70 | 20 19 p 2H J 70 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)N=C(NC2CCC2)Nc2cc(Cl)sc21
ir: 13 8 3 10 6 14 18 42 45 19 11 28 30 17 10 11 9 4 3 5 7 14 14 10 16 9 10 8 14 9 9 9 12 8 5 16 13 15 32 18 12 6 4 11 7 0 4 10 7 2 5 12 16 15 28 28 9 4 9 20 19 6 13 12 7 1 6 12 7 15 8 9 5 10 35 10 5 3 8 7 10 16 16 6 52 40 11 30 21 6 9 7 1 3 12 7 1 3 8 10 2 7 12 8 11 24 12 6 4 10 10 5 10 13 9 6 13 19 16 19 6 11 10 5 1 5 7 3 1 5 8 4 3 7 9 10 3 6 10 7 4 11 7 4 6 19 93 21 35 70 11 15 13 13 10 60 81 72 24 6 4 8 7 2 4 9 5 0 4 8 4 0 4 8 4 0 4 8 4 1 5 7 3 1 5 7 3 1 5 7 3 2 6 6 3 2 6 6 2 2 6 6 2 3 6 6 2 3 6 5 2 3 7 5 1 3 7 5 1 3 7 4 1 4 7 4 0 4 8 4 1 4 7 4 1 5 7 4 1 5 7 3 1 5 7 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 6 2 3 7 6 2 3 6 6 2 3 7 5 1 4 7 6 3 9 8 5 2 7 8 5 3 8 18 12 7 15 8 4 2 7 9 4 2 5 8 3 2 7 9 4 7 6 7 6 5 13 19 100 99 45 32 13 6 7 6 3 3 6 5 2 3 6 5 2 4 6 5 2 4 7 5 2 4 7 4 1 4 7 4 1 4 7 4 2 4 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 7 4 2; 1HNMR: 74 74 s 1H | 63 63 s 1H | 58 58 d 1H J 66 | 37 36 dp 1H J 37 71 | 20 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cnc3[nH]cc(C(=O)C(C)=O)c3n2)cc(OC)c1OC
ir: 2 4 13 8 5 2 2 5 1 1 3 6 8 9 11 5 4 8 11 16 3 19 13 7 11 4 7 5 10 76 15 7 4 4 0 3 3 2 10 3 2 2 2 3 1 1 1 1 2 9 7 4 1 1 1 2 2 3 3 17 3 1 3 4 2 4 4 6 21 12 10 9 8 3 4 4 2 2 3 7 9 4 2 2 1 1 5 5 1 2 1 1 2 5 5 18 36 13 1 3 9 2 1 4 1 2 1 1 1 3 3 7 6 6 5 6 3 6 2 8 10 7 6 7 5 4 6 6 3 2 1 3 12 100 35 15 8 3 3 5 9 23 19 5 3 5 27 5 9 17 2 2 1 2 43 2 3 4 2 10 2 2 2 1 5 6 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 1 1 2 2 1 1 2 2 2 5 7 9 9 6 13 16 9 10 11 9 3 2 2 1 1 1 1 1 0 1 1 1 1 1 2 1 2 4 4 14 26 43 8 2 2 4 3 2 2 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 91 s 1H | 83 83 d 1H J 86 | 74 73 s 2H | 39 39 s 6H | 39 38 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccc(O)cc12
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 1 22 4 1 1 1 1 1 1 2 2 2 2 2 5 1 1 1 0 1 1 1 1 2 3 8 6 11 8 2 1 2 7 3 6 1 1 1 1 1 1 1 1 3 2 2 2 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 2 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 4 1 2 3 8 3 8 3 5 1 1 1 1 0 0 0 0 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 14 16 11 4 1 0 2 2 8 100 6 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 75 74 m 2H | 73 73 s 1H | 72 71 dt 2H J 9 77 | 71 70 m 2H | 69 68 m 2H | 68 67 m 3H | 57 57 t 2H J 9 | 40 40 t 2H J 65 | 27 27 s 2H | 26 25 t 2H J 65 | 25 25 m 4H | 19 18 p 2H J 65 | 16 16 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(CC(=O)O)sc2-c2ccc(OC)cc2)cc1
ir: 1 1 1 1 1 3 3 6 7 3 6 5 7 6 3 3 7 13 10 37 19 40 43 12 9 6 5 0 1 2 2 1 1 1 2 0 1 2 1 2 3 3 3 3 3 5 2 1 2 11 4 6 6 4 16 51 8 4 8 2 5 7 5 7 2 3 2 1 2 12 3 1 1 2 3 9 9 13 16 14 11 4 2 9 6 5 3 8 10 5 2 1 2 2 2 2 3 4 2 4 5 9 2 1 2 1 1 1 2 2 2 10 3 3 2 1 2 3 3 4 5 7 3 3 2 2 3 4 3 3 1 2 3 3 1 8 5 3 1 3 3 3 7 13 4 9 5 5 31 13 7 7 12 6 2 2 1 1 1 1 1 1 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 2 1 1 2 4 2 2 9 12 26 100 23 3 5 2 2 2 4 2 19 79 16 6 2 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 77 76 m 2H | 76 75 m 2H | 71 70 m 2H | 69 69 m 2H | 39 39 s 2H | 38 38 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCO[C@@H]1CCCCOC1
ir: 21 9 8 8 13 4 1 2 2 2 0 7 2 4 9 3 1 1 1 1 1 1 2 12 12 5 1 1 1 1 1 1 1 1 1 1 1 4 8 15 6 6 4 13 2 2 3 2 2 1 3 4 7 3 3 1 2 5 3 5 6 5 7 27 9 13 15 48 25 26 10 10 21 11 100 12 4 7 15 2 4 18 18 3 1 2 1 1 0 0 1 2 0 1 9 8 2 3 2 1 0 1 1 1 0 1 3 1 4 3 5 8 16 12 3 4 2 6 6 4 2 5 2 4 3 3 2 1 3 4 3 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 4 7 8 2 3 1 2 1 4 20 11 4 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 47 46 d 1H J 31 | 45 45 d 1H J 31 | 37 36 m 4H | 36 35 t 2H J 46 | 35 35 m 3H | 34 34 s 2H | 18 16 m 2H | 16 15 m 1H | 16 15 m 2H | 15 14 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(Nc1ccccc1-c1ccccc1)N1CCCC(O)C1
ir: 7 6 4 10 7 6 7 8 7 8 6 6 4 6 9 6 4 4 6 6 7 8 12 9 16 4 6 6 7 6 18 19 22 10 11 20 44 18 26 25 21 44 100 28 17 0 13 11 10 4 4 8 6 2 4 5 4 5 4 6 5 3 5 6 7 2 5 6 9 4 9 14 17 22 10 8 18 18 18 6 5 5 4 10 15 17 20 21 7 20 11 6 7 7 12 10 6 5 5 6 3 4 5 4 3 5 9 6 4 5 5 5 3 3 5 5 3 6 7 3 4 4 5 4 2 3 5 3 3 4 5 4 3 9 6 11 12 16 7 3 3 7 13 16 4 15 16 87 42 8 8 35 39 5 26 15 4 2 27 7 3 8 9 2 3 3 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 3 3 4 4 3 4 6 4 3 4 6 4 3 4 8 8 9 16 28 18 7 5 6 7 7 22 18 16 6 5 6 2 0 8 28 33 12 4 5 6 6 9 18 21 43 19 16 8 6 5 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 77 76 dd 1H J 16 76 | 75 73 m 8H | 68 68 s 1H | 66 65 s 1H | 40 39 qt 1H J 41 56 | 35 34 m 4H | 32 31 dd 1H J 41 116 | 19 17 m 3H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCNC1
ir: 2 4 4 2 2 3 3 4 4 3 1 5 3 2 2 2 4 2 6 2 2 2 1 2 3 6 3 5 3 3 3 3 9 8 2 3 5 3 2 1 4 1 1 1 1 0 2 23 3 5 3 5 4 8 4 3 3 2 3 1 1 1 2 1 1 1 4 6 2 3 1 1 1 2 3 1 3 1 3 6 4 5 3 4 1 1 1 1 1 2 1 1 2 3 5 4 2 3 7 4 3 1 2 1 0 1 2 3 2 3 3 4 5 11 10 9 23 6 4 2 2 3 3 4 3 11 9 9 2 3 2 2 1 1 1 1 1 3 1 1 9 1 1 1 1 0 0 0 0 0 0 1 7 1 3 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 0 0 0 0 0 0 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 1 1 2 1 1 1 2 1 1 1 5 5 6 9 18 9 5 2 22 32 100 10 5 5 2 1 2 1 1 2 2 1 2 8 12 11 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 3H | 73 72 m 1H | 42 41 m 2H | 39 39 d 1H J 123 | 37 36 m 2H | 36 35 m 2H | 34 34 s 2H | 33 32 s 1H | 31 31 ddd 1H J 27 48 127 | 29 29 m 1H | 29 27 m 2H | 20 19 dddd 1H J 27 42 54 69 | 19 17 m 2H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccccc1-c1cc(F)c(Cn2c(=O)[nH]c(=O)c3cc(C4CC4)sc32)c(F)c1
ir: 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 6 4 2 4 5 3 2 2 4 6 3 2 3 4 4 7 7 3 9 2 2 2 2 1 3 2 3 4 23 58 24 1 3 3 2 1 2 3 2 4 6 9 5 5 2 2 2 2 4 4 3 1 2 2 2 2 5 5 2 2 3 2 3 6 7 3 2 1 2 2 1 2 2 2 1 2 3 2 1 1 2 2 2 2 2 3 7 5 3 3 5 4 3 2 2 2 2 2 1 2 3 2 3 6 2 1 2 7 3 2 4 4 4 3 6 13 7 2 2 3 3 4 3 3 3 6 9 3 5 2 2 4 2 1 2 5 14 100 33 0 2 4 2 1 2 2 2 1 2 2 2 1 2 2 1 2 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 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 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 2 2 2 2 3 3 3 3 2 7 33 14 6 8 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 7 43 8 2 2 1 1 2 2 2 1 2 2 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 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; 1HNMR: 78 77 m 2H | 76 75 td 1H J 15 74 | 75 75 ddd 1H J 13 62 74 | 72 72 d 1H J 7 | 72 71 m 2H | 56 55 t 2H J 47 | 26 26 m 1H | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(COc1ccccc1-c1c[nH]cn1)C1CCCCC1
ir: 2 1 1 1 2 2 4 2 2 2 2 2 1 1 2 1 1 5 4 3 1 1 1 1 0 1 2 1 1 1 1 1 1 2 1 9 7 4 7 22 3 0 74 96 18 5 2 2 2 3 1 3 8 36 7 12 3 2 2 0 2 5 1 1 3 12 20 1 4 4 3 7 5 6 6 9 51 3 4 2 1 2 2 3 8 37 28 28 27 5 7 5 4 8 3 2 2 3 2 9 1 3 6 5 16 100 9 3 8 16 43 66 30 25 5 9 9 9 8 10 15 14 12 18 66 16 4 9 7 6 1 3 3 3 3 3 2 8 5 6 9 7 3 3 3 9 25 8 3 16 3 2 1 1 1 5 1 1 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 6 6 11 19 10 13 4 11 5 9 15 8 30 56 62 42 76 48 34 11 22 20 11 7 4 2 5 14 23 25 8 7 2 2 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 m 1H | 79 78 dd 1H J 16 57 | 77 76 dd 1H J 12 85 | 75 75 dd 1H J 17 51 | 74 73 td 1H J 13 77 | 72 71 m 2H | 48 48 s 2H | 26 25 m 1H | 19 18 dddd 2H J 20 62 112 143 | 16 15 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.
CCOC(=O)c1ccccn1
ir: 36 19 36 15 46 19 4 9 17 7 3 14 27 16 10 8 11 4 1 8 10 3 1 8 9 4 7 10 11 4 9 19 9 4 4 11 9 9 33 31 57 6 5 12 8 0 4 10 6 1 5 13 20 13 13 17 11 2 7 12 6 1 8 13 11 5 7 12 14 5 36 28 12 31 33 12 6 3 13 16 7 30 26 14 4 3 8 8 3 3 9 8 3 5 9 8 2 15 20 10 3 4 32 43 19 9 10 7 2 7 11 19 12 22 16 24 17 26 16 7 2 7 10 5 2 7 10 6 4 9 11 6 3 8 26 23 10 55 50 22 6 7 25 100 59 84 13 6 6 11 12 4 11 25 13 9 5 17 26 12 13 10 6 2 5 10 6 1 5 10 5 0 6 10 5 1 6 9 4 1 6 9 4 1 7 9 4 2 7 8 4 2 7 8 3 2 7 8 3 3 8 7 3 3 8 7 2 3 8 7 2 4 8 6 2 4 9 6 1 4 9 6 1 5 9 5 1 5 9 5 1 5 9 5 1 6 9 4 2 6 8 4 2 6 8 4 2 6 8 4 3 7 8 3 3 7 7 3 3 7 7 3 3 8 7 2 4 8 7 5 5 9 7 3 6 9 8 3 7 9 8 4 9 20 21 21 33 31 62 8 6 13 7 2 7 10 4 2 6 9 5 2 7 8 4 2 7 7 3 3 7 7 3 3 7 7 3 3 7 7 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 8 5 2 5 9 5 2 5 8 5 2 5 8 4 2 6 8 4 2 6 8 4 3 6 7 4 3 6 7 4 3 7 7 3 3 7 7 3 4 7 6 3 4 7 6 3 4 7 6 2 4 8 6 2 5 8 5 2 5 8 5 2; 1HNMR: 88 88 dd 1H J 17 43 | 80 79 dd 1H J 14 75 | 79 78 td 1H J 18 74 | 75 74 ddd 1H J 15 42 73 | 44 43 q 2H J 64 | 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=C(O)c1cc(F)c2cncn2c1Nc1ccc(I)cc1F
ir: 12 2 0 1 12 16 2 2 2 2 4 1 3 2 1 1 1 1 0 4 0 1 1 2 4 1 1 2 1 0 1 0 0 1 1 5 4 5 2 1 1 3 4 1 1 1 2 6 2 1 0 1 0 5 9 2 3 7 1 0 0 1 0 0 1 1 4 3 3 2 1 1 7 3 1 0 1 3 1 0 2 7 2 1 10 5 2 3 7 2 1 1 1 1 0 9 26 2 1 4 4 0 3 1 3 3 1 1 2 1 2 0 1 0 0 8 4 1 1 0 2 3 13 1 1 1 1 1 2 7 2 1 1 1 1 4 0 3 2 0 0 0 0 1 0 1 2 11 7 3 1 3 4 0 1 1 6 7 1 1 1 1 1 1 0 1 0 2 6 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 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 1 1 1 0 1 1 2 3 15 14 5 21 5 2 1 2 1 16 100 4 2 1 1 1 0 0 1 1 1 1 1 2 4 11 26 5 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 d 1H J 35 | 79 79 d 1H J 17 | 79 78 dd 1H J 17 35 | 75 75 m 2H | 73 72 d 1H J 84 | 72 71 dd 1H J 47 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)c2cc3cc(C)n(CCCNS(=O)(=O)C(F)(F)F)c3s2)cc1
ir: 3 4 2 3 2 4 3 1 2 4 5 13 9 3 2 1 1 3 4 3 2 2 4 3 5 1 1 1 1 1 1 1 1 2 5 3 3 3 4 11 15 32 21 14 19 9 9 5 4 7 2 3 4 12 7 12 20 10 6 4 8 4 3 6 2 5 7 10 8 6 10 8 7 6 5 8 13 8 5 2 2 2 1 3 16 49 5 3 5 4 1 1 1 2 3 2 4 17 12 3 1 3 4 25 14 18 100 48 22 7 7 8 14 7 3 2 4 4 3 3 7 5 13 10 3 10 3 4 2 1 1 5 1 2 2 5 2 1 2 2 2 3 32 3 2 1 4 2 3 6 12 4 3 3 1 1 1 0 1 3 1 0 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 0 2 1 2 1 2 3 1 2 2 2 1 2 2 3 3 10 5 6 16 7 18 33 3 2 2 1 0 1 1 1 1 1 1 1 1 1 2 2 4 70 15 4 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H | 77 76 d 1H J 20 | 71 70 m 2H | 66 65 tq 1H J 25 49 | 62 61 d 1H J 22 | 40 39 t 2H J 52 | 38 38 s 2H | 31 30 q 2H J 49 | 22 22 s 3H | 20 19 p 2H J 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NCCCn1c(Sc2cccc3ccccc23)nc2c(N)nccc21
ir: 5 12 2 11 7 4 5 2 4 2 23 5 7 6 1 3 13 5 1 5 3 2 1 3 3 2 2 4 4 1 3 4 7 6 5 8 5 6 11 7 11 10 15 13 21 75 62 26 11 12 5 6 4 2 4 6 4 1 5 4 5 11 4 4 2 6 2 5 4 2 6 13 7 1 7 10 25 8 10 4 4 6 20 6 5 4 4 5 1 2 4 4 20 14 6 8 13 7 5 5 2 7 15 79 23 32 17 15 6 7 11 32 30 6 10 4 12 11 9 11 11 10 5 8 4 6 6 2 7 12 10 9 2 3 4 8 14 9 16 9 5 6 2 53 3 8 15 12 11 5 18 32 6 5 3 4 21 26 5 3 3 3 3 2 4 3 2 0 2 8 2 0 2 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 2 3 1 0 1 3 1 0 1 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 6 7 3 3 6 7 5 7 4 8 12 8 9 17 36 19 30 65 100 19 6 5 4 4 6 3 3 3 5 4 2 3 3 46 3 4 27 32 4 13 32 5 2 1 3 2 0 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 82 81 m 2H | 80 79 m 1H | 79 78 dt 1H J 16 78 | 78 78 dt 1H J 14 79 | 76 75 m 3H | 70 70 d 1H J 49 | 65 65 s 2H | 43 42 t 2H J 59 | 31 30 dhept 1H J 54 68 | 28 28 td 2H J 45 53 | 23 22 dt 1H J 45 70 | 19 19 m 2H | 12 11 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C(Cl)Cl)nc1N1CCCC1
ir: 13 7 8 9 5 5 3 3 0 1 2 1 0 1 2 2 1 10 3 2 2 1 1 1 1 1 3 2 1 2 1 1 1 2 1 1 1 2 1 1 4 4 15 16 14 6 2 4 2 3 5 7 25 24 22 21 10 3 3 3 8 6 3 1 12 6 2 14 5 3 4 6 10 100 28 14 14 2 4 22 12 0 5 2 1 3 4 4 5 11 5 10 18 4 15 8 1 2 4 3 5 8 3 6 1 8 30 39 10 6 7 4 28 39 16 16 5 6 14 20 31 11 3 6 10 6 4 2 1 3 5 16 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 4 4 13 5 5 10 6 9 6 10 27 3 4 3 2 8 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; 1HNMR: 68 68 s 1H | 39 38 s 3H | 38 37 m 4H | 20 20 p 4H J 21
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCOCC2)nc1
ir: 1 11 6 4 4 1 1 1 1 1 1 1 1 2 1 10 8 5 4 2 0 1 1 1 1 2 6 1 3 6 4 5 8 57 36 18 10 13 3 2 4 92 3 5 12 1 4 10 20 10 4 1 1 8 19 17 8 9 11 7 1 2 1 1 2 4 3 8 4 8 11 0 40 17 2 2 1 1 2 2 1 1 1 0 4 4 1 1 1 1 2 5 1 2 4 3 1 3 3 7 5 3 3 3 6 9 11 1 0 1 1 1 2 1 1 5 3 2 7 3 3 3 2 2 3 3 3 4 5 76 6 4 7 11 3 3 9 12 5 15 100 60 7 3 15 13 6 71 16 10 16 17 46 14 13 50 11 1 0 1 1 2 3 4 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 2 1 1 1 1 2 4 8 21 14 13 40 28 23 6 3 2 2 2 1 2 3 1 1 2 1 1 1 1 0 2 5 2 4 5 41 16 9 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 19 | 81 80 m 2H | 77 77 dd 1H J 19 87 | 76 76 m 2H | 76 75 m 1H | 68 67 d 1H J 87 | 38 38 dd 4H J 48 57 | 37 36 dd 4H J 47 55 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CCC/C=C(\c1ccccc1)c1cccnc1)C(C)(C)O
ir: 7 6 7 4 6 4 4 3 2 2 3 3 3 2 1 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 8 9 1 1 1 2 4 2 10 4 3 1 0 1 2 2 0 1 1 0 0 1 1 2 3 1 1 1 1 5 2 3 1 1 3 5 2 3 3 1 1 1 1 2 2 1 1 2 2 0 16 8 0 2 2 0 0 1 1 0 1 1 3 2 1 1 1 0 1 2 1 1 1 10 12 5 2 2 3 12 6 2 2 2 3 3 2 2 3 1 2 0 1 2 1 2 2 3 3 1 1 3 6 1 0 1 4 6 1 1 20 10 3 13 2 1 1 1 6 3 3 2 1 1 1 0 0 1 0 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 2 1 1 3 4 8 12 4 25 9 3 1 7 4 43 100 48 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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; 1HNMR: 87 87 m 1H | 87 86 t 1H J 17 | 78 77 m 1H | 75 75 m 2H | 75 74 m 2H | 73 72 m 2H | 63 62 tt 1H J 9 62 | 41 40 s 1H | 36 35 s 2H | 26 25 dddt 1H J 15 29 69 82 | 21 20 m 2H | 19 17 dtd 1H J 82 91 132 | 17 15 m 3H | 13 12 dd 6H J 14 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCCC1CNc1nc2ccccc2o1
ir: 4 2 6 3 12 2 0 2 4 4 21 29 27 22 10 10 5 3 3 3 5 2 1 1 1 4 2 1 3 1 1 1 1 1 1 0 1 1 1 0 3 5 85 4 7 5 2 1 1 0 1 2 4 1 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 2 5 1 4 3 2 1 0 0 0 2 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 2 2 1 3 4 2 2 9 3 2 1 25 2 1 2 2 3 2 5 5 9 3 2 3 4 4 9 8 6 4 4 8 9 14 33 2 3 19 9 5 3 5 100 18 4 3 4 1 98 3 1 2 1 1 1 1 1 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 1 2 2 4 12 5 5 25 18 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 1 1 1 1 1 3 8 42 6 2 1 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 1H | 76 76 dd 1H J 16 74 | 75 74 m 2H | 67 67 ddd 1H J 15 40 55 | 42 41 m 1H | 40 39 m 2H | 38 38 ddd 1H J 39 59 122 | 36 35 ddd 1H J 40 60 123 | 20 19 ddt 1H J 57 81 130 | 18 16 m 5H | 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.
CC(C)(C)OC(=O)N1CCC(Nc2ccc(N3CCOCC3)nc2)CC1
ir: 12 5 5 19 10 6 10 17 11 18 20 27 23 24 14 15 25 36 35 5 4 2 1 5 2 1 4 2 3 3 7 3 2 2 3 9 20 11 4 2 3 1 1 3 3 3 1 1 2 2 2 2 8 9 17 11 5 9 9 10 3 4 4 4 4 3 3 3 3 11 15 8 5 14 3 2 2 4 1 1 1 1 2 1 5 6 3 2 2 3 2 4 3 2 6 3 1 2 5 6 2 4 6 4 1 6 6 27 12 11 17 22 15 8 2 5 6 11 7 12 11 9 15 10 9 4 11 12 5 17 9 8 12 7 5 7 6 8 5 10 46 16 33 23 24 10 2 4 5 1 20 100 24 15 26 2 1 4 2 0 1 3 3 7 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 2 2 3 5 3 3 3 5 4 6 9 31 6 17 29 14 4 3 4 2 2 2 2 1 0 1 2 1 0 2 2 1 1 3 4 4 12 18 46 60 24 9 4 6 6 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 19 | 70 70 dd 1H J 19 89 | 67 67 d 1H J 89 | 58 57 d 1H J 84 | 40 39 dp 1H J 44 88 | 38 38 dd 4H J 47 57 | 37 36 m 7H | 34 33 ddd 2H J 59 86 130 | 21 20 dddd 2H J 44 59 86 129 | 19 18 dddd 2H J 44 59 86 129 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Nc1ccc(Oc2ccnc(N)c2)cc1F
ir: 9 9 8 13 6 7 13 9 4 7 10 8 6 8 15 14 8 18 14 4 10 5 6 4 4 5 7 4 3 8 8 5 14 29 9 13 14 12 13 19 40 19 14 7 6 7 7 6 3 1 4 4 5 9 15 27 15 11 3 4 5 14 16 19 24 29 33 18 20 0 4 4 8 24 10 4 3 5 4 2 3 3 8 2 5 3 2 2 3 3 4 5 5 5 6 5 4 3 3 8 8 3 3 3 3 3 2 2 1 3 2 3 3 2 3 4 4 4 5 4 7 7 3 4 6 6 8 4 4 4 9 5 3 3 3 3 21 10 17 8 6 3 2 4 6 7 43 16 19 73 100 10 31 27 24 18 15 4 4 5 6 38 19 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 2 1 2 2 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 3 4 6 6 9 8 16 32 28 16 6 3 3 4 2 2 3 2 2 2 2 3 3 4 6 14 26 7 7 9 17 49 44 11 11 7 13 62 71 11 3 3 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 d 1H J 29 | 81 80 d 1H J 48 | 79 78 dd 1H J 47 96 | 68 67 m 2H | 67 66 dd 1H J 20 48 | 61 60 d 1H J 22 | 60 60 s 2H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(F)cc2ncc(F)c3c2n1CC3(O)CO
ir: 0 2 3 4 3 1 1 1 1 1 5 1 1 1 2 1 1 1 0 1 1 0 3 7 8 1 0 1 0 0 1 1 2 1 0 0 0 1 1 2 4 0 2 11 1 3 1 0 1 0 1 3 7 0 0 0 1 0 1 1 0 0 1 1 1 1 1 1 1 3 1 1 1 1 1 1 0 2 2 6 7 3 1 2 5 8 17 4 5 8 4 7 9 1 1 2 1 1 1 1 5 1 0 1 0 0 1 3 2 0 1 0 7 0 1 0 0 0 0 1 1 1 6 2 1 0 1 0 1 2 0 0 1 2 1 0 19 0 0 0 0 0 0 0 0 4 32 2 1 18 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 2 1 1 2 1 1 1 2 3 5 5 1 1 3 11 4 5 4 4 15 100 34 12 2 3 2 2 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 141 | 73 73 d 1H J 132 | 46 46 d 1H J 126 | 45 43 m 3H | 42 41 dd 1H J 60 114 | 39 38 t 1H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1nc2cc(N=CN3CCCC3)ccc2c2ccc(N=CN3CCCC3)cc12
ir: 7 9 6 15 5 9 5 5 5 10 6 5 5 7 16 10 7 7 3 5 5 10 12 3 8 7 6 5 20 13 10 16 60 11 8 4 4 3 4 5 5 3 4 6 5 5 12 19 18 9 6 7 46 100 22 4 5 8 6 4 15 24 8 6 4 6 14 18 26 79 22 7 5 5 5 4 4 4 3 4 5 4 4 8 26 40 35 18 17 14 18 11 16 16 9 6 27 85 31 34 11 26 12 8 9 16 38 15 33 25 14 7 5 8 9 6 13 13 8 12 6 5 3 10 10 22 21 15 22 9 7 69 12 18 25 8 11 4 3 6 11 21 34 16 52 9 3 9 59 7 5 2 13 16 13 36 48 30 51 31 16 5 4 9 93 11 4 0 3 5 8 3 4 4 3 2 3 4 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 4 3 4 3 3 4 4 6 5 5 6 4 6 5 7 21 29 13 10 37 49 33 37 7 5 6 4 3 3 3 3 3 2 2 3 2 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 83 83 d 1H J 90 | 81 81 d 1H J 86 | 79 78 dp 2H J 9 28 | 77 77 d 1H J 21 | 76 76 d 1H J 22 | 74 73 dd 1H J 22 90 | 73 73 dd 1H J 21 85 | 36 36 q 4H J 73 | 35 34 tt 8H J 11 27 | 20 19 m 8H | 13 12 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1=NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)O1
ir: 5 8 26 56 20 19 8 9 12 13 11 12 11 8 7 23 17 24 11 7 11 8 6 5 5 25 7 6 2 4 9 4 4 3 4 3 4 4 3 3 2 7 68 63 6 1 3 3 2 0 2 3 2 1 2 4 1 0 3 11 9 5 2 1 2 2 4 3 3 6 9 1 2 3 3 3 2 4 7 1 6 9 5 3 2 2 2 1 2 1 1 1 1 1 3 3 8 2 2 4 10 15 12 4 2 9 4 5 17 3 2 2 3 2 2 3 4 3 3 4 4 2 2 4 5 8 14 3 4 5 9 4 5 2 3 3 11 14 4 31 37 11 26 49 12 6 4 6 4 84 100 3 6 30 12 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 2 2 1 2 3 4 5 5 4 3 3 3 26 14 7 12 9 2 2 2 1 2 1 2 2 2 2 1 1 2 2 1 1 2 3 5 7 34 40 13 3 2 1 2 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 68 | 82 82 q 1H J 50 | 76 75 m 1H | 75 75 m 1H | 73 72 m 1H | 72 71 m 2H | 57 56 dq 1H J 15 77 | 41 40 m 1H | 30 29 d 3H J 51 | 15 15 dd 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccn3)n2)c(=O)[nH]c1C
ir: 0 9 19 49 33 24 23 13 5 10 32 35 13 15 24 11 8 10 10 7 2 8 10 5 24 28 9 5 4 9 10 7 8 15 11 2 6 29 17 8 6 11 8 14 5 15 25 12 92 37 51 52 22 43 25 12 7 12 8 2 7 10 16 6 8 20 29 4 23 43 14 12 8 14 15 16 18 14 22 12 21 19 18 77 86 100 4 6 10 11 10 9 9 9 10 6 11 11 2 9 16 8 1 6 10 12 22 12 23 11 6 19 20 13 1 8 10 7 6 9 13 6 4 8 13 15 10 11 14 8 4 13 27 17 18 19 26 7 3 9 10 50 6 7 7 3 4 14 11 3 4 13 77 22 11 21 47 22 9 13 7 1 6 10 6 2 6 10 7 1 5 10 5 0 5 9 5 1 6 9 4 1 6 9 4 1 6 8 4 2 7 8 3 2 7 8 3 3 7 7 3 3 7 7 2 3 8 7 2 4 8 6 2 4 8 6 1 4 9 6 1 5 9 5 1 5 9 5 1 5 9 5 1 5 9 5 1 6 8 4 2 6 8 4 2 6 8 4 2 6 8 3 3 7 7 3 3 7 7 3 4 8 7 3 4 8 6 2 4 9 7 4 5 9 7 5 18 16 7 3 6 14 10 10 19 24 20 22 61 32 10 3 5 8 5 3 6 8 4 2 6 8 4 3 8 8 5 3 7 9 7 24 34 12 6 5 8 7 3 4 8 6 3 4 7 6 2 4 8 6 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 5 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 6 7 3 3 7 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 6 2 4 8 5 2 5 8 5 2 5 8; 1HNMR: 87 86 dd 1H J 17 41 | 85 85 s 1H | 80 79 ddd 1H J 16 70 80 | 79 79 dd 1H J 14 81 | 77 76 ddd 1H J 15 41 70 | 73 72 s 1H | 49 49 s 2H | 43 43 q 2H J 71 | 26 26 s 3H | 13 12 t 4H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C)c(Cl)c(NCc2ccc(O)cc2)n1
ir: 4 6 10 36 29 17 19 14 19 9 4 7 3 10 22 17 7 3 6 6 5 2 0 6 3 8 28 7 2 1 3 2 5 2 2 2 1 1 2 3 2 1 2 4 11 29 11 4 3 6 4 10 8 9 40 14 11 1 3 4 2 2 3 3 2 0 4 7 6 10 3 3 8 13 17 13 15 4 13 16 50 10 5 3 2 4 7 9 15 13 1 1 1 2 2 2 2 5 2 2 1 1 1 1 4 5 4 2 1 4 10 2 2 2 0 5 2 18 34 11 6 2 4 5 2 4 5 3 4 7 4 1 2 1 1 2 2 10 13 6 1 2 1 17 24 4 4 13 76 33 10 2 48 16 3 2 2 1 1 1 1 6 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 4 3 2 1 2 2 1 2 3 3 3 7 6 4 10 4 4 8 14 16 5 4 2 6 5 18 100 19 10 4 2 2 2 1 1 1 3 3 0 2 3 1 89 68 1 10 9 1 0 2 2 1 2 2 2 3 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 s 1H | 74 73 dq 2H J 9 84 | 68 68 m 2H | 67 66 t 1H J 55 | 48 47 dt 2H J 9 55 | 25 24 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc(-c2ccc3nnc(C(F)(F)F)n3n2)c1
ir: 5 5 3 4 2 2 6 2 2 2 2 1 5 4 6 3 9 3 6 2 3 2 2 1 2 3 11 2 3 3 5 2 23 16 4 2 1 2 3 4 2 3 2 2 8 3 2 0 20 1 5 3 2 1 2 1 2 2 5 12 8 1 8 1 4 3 2 2 6 13 2 10 2 3 1 1 14 4 3 2 10 2 3 2 2 2 6 11 2 2 2 2 4 11 7 3 7 34 35 13 11 3 1 3 2 13 3 7 2 2 6 5 100 6 6 2 7 2 10 2 2 1 3 4 8 46 25 9 4 2 1 2 3 2 1 2 3 1 0 5 21 68 14 26 3 5 5 2 3 9 50 22 5 6 2 2 2 1 1 4 3 1 2 4 6 2 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 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 2 1 3 3 5 2 9 7 12 61 32 35 15 7 5 4 5 2 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 82 t 1H J 21 | 81 81 m 2H | 78 78 ddd 1H J 13 22 106 | 77 77 dd 1H J 70 107 | 76 76 d 1H J 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cncc(Cc2csc(-c3ccccc3)n2)c1
ir: 26 2 0 1 2 1 0 1 5 3 2 2 1 1 1 2 3 14 1 1 3 3 16 2 4 1 1 4 3 3 8 2 3 1 1 2 1 1 1 13 29 7 6 9 2 0 1 2 1 2 2 2 3 3 1 2 1 0 2 89 15 5 3 5 2 4 1 2 5 10 3 2 10 3 2 2 1 1 4 2 1 1 5 37 14 10 4 6 4 10 1 1 2 3 21 3 7 2 2 1 16 8 3 1 0 3 3 2 2 3 4 1 0 1 2 1 0 1 2 2 2 12 4 11 3 17 6 2 2 4 2 1 1 2 33 20 2 5 5 1 0 2 2 3 3 8 8 17 4 4 3 1 8 41 2 3 2 1 1 1 1 1 4 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 3 4 1 1 2 1 1 2 11 16 7 24 100 39 9 8 5 4 3 5 13 35 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 t 1H J 17 | 87 87 tt 1H J 9 17 | 81 81 tt 1H J 9 18 | 80 79 m 2H | 75 74 m 3H | 73 72 d 1H J 10 | 41 40 q 2H J 9
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(O)C(N=[N+]=[N-])CC1
ir: 29 20 23 14 13 5 5 5 4 10 9 7 18 8 10 4 4 5 2 1 2 2 1 1 2 2 3 2 2 1 2 2 2 2 2 2 2 3 2 2 1 2 2 2 2 2 2 2 1 2 3 4 5 4 3 4 3 1 2 1 2 4 4 0 2 3 2 1 3 4 3 1 3 5 3 2 6 8 6 3 3 3 2 1 5 6 6 16 45 100 58 8 3 3 4 3 4 4 7 5 2 2 2 5 1 5 8 3 1 6 2 7 1 5 6 3 2 7 5 18 11 7 25 5 2 3 3 7 8 7 7 9 3 4 4 3 6 4 4 1 2 1 1 0 1 1 1 1 1 2 20 31 2 2 1 0 0 1 0 0 0 1 1 1 1 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 0 1 0 0 1 1 0 0 1 1 0 1 1 1 2 5 1 1 0 1 1 0 0 0 1 0 0 0 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 3 4 2 4 3 2 2 2 2 3 4 12 28 12 4 3 2 1 1 2 1 2 6 42 31 7 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 35 34 m 1H | 34 33 m 4H | 33 32 m 1H | 32 31 m 1H | 30 30 m 1H | 22 20 m 2H | 19 18 m 1H | 18 17 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C1C[C@@H](C(=O)NCC(O)CO)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
ir: 4 11 3 12 17 13 10 3 2 4 3 3 3 1 4 4 3 1 5 6 5 3 4 5 3 8 5 12 12 7 3 7 5 16 5 2 11 11 53 9 5 10 16 2 5 4 14 5 3 2 2 1 2 4 5 7 6 12 4 2 1 2 1 1 1 1 1 1 2 5 4 5 4 3 1 1 1 1 2 2 1 1 1 2 3 8 19 8 3 3 2 6 6 8 5 8 14 11 4 3 1 2 1 2 2 2 5 3 7 4 2 1 6 3 2 2 2 3 3 4 5 3 4 8 5 4 2 2 2 3 4 7 15 17 2 5 2 1 1 2 4 3 8 21 100 15 25 18 6 5 5 4 1 2 2 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 3 2 1 1 1 1 1 1 3 6 5 5 15 23 28 12 9 50 20 9 3 14 7 1 1 1 1 1 1 1 1 1 1 2 5 7 10 37 13 7 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 70 | 79 78 m 2H | 77 77 m 2H | 76 76 m 2H | 75 74 m 2H | 74 73 ddt 1H J 14 64 80 | 48 48 ddd 1H J 18 42 59 | 44 44 d 1H J 126 | 43 42 dd 1H J 17 127 | 40 40 m 2H | 40 39 s 3H | 40 39 ddt 1H J 48 57 99 | 37 37 ddd 1H J 48 56 126 | 35 34 m 2H | 32 31 m 2H | 29 29 dd 1H J 59 149
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncc(OCc2ccsc2)cn1
ir: 3 2 0 2 3 2 1 2 4 2 1 3 4 2 1 3 4 2 1 2 3 1 1 2 6 1 3 3 5 1 1 3 3 2 2 5 3 1 1 3 3 3 4 5 26 7 5 11 33 12 10 22 6 4 5 5 4 2 3 5 3 2 2 4 2 1 2 3 3 1 15 3 1 1 2 3 1 1 2 3 1 1 2 3 1 2 5 3 6 4 3 4 1 4 4 7 4 2 3 2 1 1 3 2 0 2 4 2 0 2 3 2 1 2 3 2 2 3 10 100 4 4 4 3 2 5 4 2 1 2 3 2 4 12 7 3 2 55 35 32 69 4 3 1 1 3 2 1 1 3 3 4 8 7 4 1 2 3 2 9 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 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 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 3 2 2 5 5 11 8 9 5 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 82 81 s 2H | 73 72 m 2H | 71 70 ddt 1H J 9 18 51 | 52 52 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)cc(C)n2-c1ccc(I)cc1
ir: 1 1 1 7 2 1 1 1 2 1 2 1 3 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 12 1 2 6 9 48 19 9 13 7 1 1 6 2 2 3 1 1 3 10 12 30 5 2 2 1 1 2 1 1 2 1 1 4 1 1 1 1 8 1 1 1 1 2 5 1 1 2 1 1 1 2 2 1 1 1 1 15 1 1 1 10 1 1 1 1 5 1 2 2 2 4 1 5 5 6 8 2 5 3 2 4 5 1 1 1 1 1 5 1 1 1 1 1 1 1 3 12 1 0 9 2 27 3 4 2 11 3 7 2 1 1 1 1 2 4 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 2 4 2 2 6 13 20 100 54 13 6 14 3 0 2 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0; 1HNMR: 77 77 m 2H | 74 74 d 1H J 80 | 72 72 m 2H | 72 71 t 1H J 23 | 69 68 dd 1H J 24 81 | 59 58 m 1H | 38 38 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN(Cc1cc(N)ccc1OC)C1CC1
ir: 12 23 6 16 10 11 8 12 7 4 3 2 5 5 3 6 2 5 3 2 1 1 1 2 4 3 2 2 5 7 1 3 1 1 4 5 2 1 2 2 3 2 5 2 3 2 2 1 2 1 2 4 8 11 7 3 2 1 3 5 3 1 7 4 6 4 2 8 10 6 2 2 1 1 1 2 1 1 2 6 7 15 3 1 1 2 2 5 4 5 6 7 2 2 5 4 2 5 2 2 2 5 9 10 8 5 3 8 3 1 2 1 0 1 1 1 1 1 3 1 1 1 1 1 0 1 2 1 1 2 2 2 1 1 2 1 1 1 1 1 1 2 4 7 12 16 3 2 2 3 6 2 4 5 13 20 46 17 5 3 3 0 3 5 5 1 1 1 1 0 1 1 1 1 1 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 1 1 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 2 8 6 3 5 13 11 6 3 6 2 0 1 2 1 0 1 1 1 0 2 2 0 22 25 2 3 1 1 1 1 1 1 2 1 80 100 8 5 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 d 1H J 84 | 66 65 m 2H | 43 42 s 2H | 38 38 s 3H | 37 37 s 3H | 37 37 d 2H J 9 | 36 35 s 2H | 24 23 p 1H J 55 | 8 7 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnoc1-c1ccc(F)c(Br)c1
ir: 8 9 3 9 15 8 1 6 13 7 3 9 7 6 9 11 9 2 1 8 11 3 2 8 11 4 3 8 18 100 50 20 8 18 34 19 20 11 3 7 5 2 3 7 5 1 4 8 5 1 7 12 6 11 35 45 34 21 7 9 7 1 5 10 7 12 6 14 14 5 7 13 7 8 12 16 16 16 10 10 17 14 14 8 2 2 5 5 2 4 9 11 3 4 24 9 2 3 6 5 1 3 7 6 3 4 5 39 14 4 16 27 0 6 11 8 4 6 13 6 3 8 24 27 11 18 18 8 5 9 7 3 1 5 6 3 2 5 14 25 4 6 9 66 49 10 12 92 9 11 16 6 5 13 9 3 61 61 40 0 4 10 13 1 4 7 4 0 3 7 4 0 4 7 3 0 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 1 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 0 3 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 5 5 7 5 2 4 6 5 2 5 7 4 2 5 25 14 6 71 50 71 25 6 8 4 1 5 6 3 2 4 6 3 1 4 6 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1; 1HNMR: 87 87 s 1H | 77 77 dd 1H J 22 35 | 76 76 ddd 1H J 22 38 79 | 73 72 dd 1H J 78 101 | 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.
Cc1c(C(=O)C2CC2)c(-c2ccc(S(N)(=O)=O)cc2)n(C)c1-c1ccc(Cl)cc1
ir: 4 4 14 17 5 2 1 1 1 1 1 1 2 0 9 11 7 2 2 3 1 2 2 1 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 2 1 6 2 5 3 2 3 1 2 1 2 3 4 14 14 9 6 3 1 1 3 5 0 2 2 1 1 7 10 4 3 2 3 2 3 3 3 2 9 11 7 9 18 32 28 19 22 36 11 5 5 3 7 2 9 6 2 6 2 2 3 2 2 3 5 2 2 1 2 1 2 2 2 2 4 5 13 26 26 5 9 4 7 4 4 2 2 1 1 1 2 1 1 1 1 2 9 2 1 2 2 1 2 5 6 4 7 6 9 2 2 15 2 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 2 4 4 7 19 58 9 7 5 4 2 1 2 3 1 0 1 2 1 0 1 3 0 5 75 43 6 8 8 25 100 12 12 2 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 m 2H | 78 77 m 2H | 75 74 m 2H | 74 74 m 2H | 72 72 s 2H | 37 37 s 3H | 28 27 p 1H J 59 | 25 25 s 3H | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(NCC2CCC3CN(c4ncccn4)CCN3C2)nc2nc(-c3ccco3)nn12
ir: 2 3 5 4 4 3 4 3 5 2 6 3 1 2 2 2 4 3 6 17 15 15 18 13 12 6 25 7 17 5 5 5 1 6 4 5 3 2 2 4 2 0 3 0 2 4 3 3 4 2 5 6 5 22 13 10 3 3 3 3 2 2 2 2 1 1 2 2 1 3 1 2 1 3 3 1 2 3 6 2 1 2 3 3 2 2 11 3 3 4 4 2 1 1 1 1 3 2 4 1 2 1 2 2 4 9 3 5 7 1 1 1 3 3 1 1 1 2 1 1 2 2 3 2 8 8 8 7 9 4 7 8 4 3 2 2 5 3 13 19 16 7 23 4 5 22 6 5 4 3 20 10 4 8 100 3 2 3 2 0 2 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 4 3 10 13 12 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 12 16 2 1 3 3 3 4 43 4 2 4 5 66 5 0 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 2H J 44 | 80 79 t 1H J 14 | 73 72 dd 1H J 16 66 | 72 72 s 2H | 71 70 t 1H J 61 | 68 68 dd 1H J 13 66 | 65 65 t 1H J 45 | 51 50 dd 1H J 54 138 | 45 44 ddd 1H J 46 73 145 | 39 38 ddd 1H J 47 74 145 | 37 36 ddd 1H J 37 61 115 | 36 35 dd 1H J 55 137 | 35 34 ddd 1H J 37 61 117 | 33 33 ddd 1H J 48 75 113 | 32 31 p 1H J 54 | 31 31 ddd 1H J 48 75 113 | 30 29 dd 1H J 47 121 | 27 26 dd 1H J 47 120 | 20 19 m 2H | 19 17 m 2H | 16 15 dddd 1H J 54 64 79 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C#N)ccc1-c1cncc(C=O)c1
ir: 6 5 6 5 7 7 6 9 14 8 8 7 7 5 6 7 6 8 14 14 7 6 8 6 6 6 11 9 7 8 14 44 29 37 13 13 32 12 8 9 6 5 5 6 5 5 5 6 6 5 6 12 35 10 24 44 20 13 22 9 6 7 46 13 15 29 8 16 44 18 14 9 9 12 7 9 6 8 24 9 6 6 6 6 6 6 6 6 6 8 12 13 7 6 7 6 6 7 6 5 5 5 6 7 27 11 6 6 7 9 11 14 21 43 11 7 9 10 53 29 14 16 100 23 31 30 13 15 9 6 7 8 6 6 6 6 6 6 6 6 6 11 7 6 6 5 7 26 100 9 7 17 30 28 9 10 12 56 23 9 76 10 8 6 6 5 6 6 5 5 5 6 5 5 5 6 6 4 5 7 5 2 39 0 6 7 5 4 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 6 9 6 5 5 5 6 6 5 5 7 6 6 9 10 14 14 57 58 30 27 12 6 7 7 6 6 6 5 5 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 88 88 t 1H J 18 | 88 88 t 1H J 17 | 83 82 t 1H J 17 | 77 77 d 1H J 70 | 76 76 dd 1H J 21 70 | 73 73 d 1H J 21 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CN=C(NC1CC1)NC1CCCc2ccccc21
ir: 2 3 2 2 1 4 5 3 2 4 4 4 12 8 4 7 4 4 8 5 5 5 6 10 12 8 7 13 8 4 8 5 4 5 2 3 4 6 3 3 3 5 9 3 1 4 2 1 1 1 1 4 4 2 3 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 4 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 4 3 1 1 1 1 0 1 1 1 1 1 3 1 0 1 1 1 2 6 9 6 6 5 5 2 1 1 2 1 2 1 2 3 1 3 6 3 5 9 7 3 2 1 2 0 0 2 2 9 15 12 47 8 15 18 15 18 8 5 5 16 5 4 4 18 49 9 2 2 2 5 2 11 8 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 2 3 2 5 6 3 7 11 10 5 4 5 1 2 1 0 1 2 1 1 1 1 0 0 1 1 1 2 1 4 6 61 100 32 17 6 3 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 71 m 3H | 72 71 ddt 1H J 8 18 78 | 67 67 d 1H J 71 | 66 65 d 1H J 77 | 49 49 m 1H | 32 32 dp 1H J 42 70 | 29 27 m 2H | 21 20 m 1H | 20 19 m 1H | 19 18 m 2H | 10 10 m 2H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(S(=O)(=O)c2cnc(Nc3cc(C#CCOC)nc(C)n3)s2)c1
ir: 4 3 1 3 7 4 4 9 11 6 6 8 15 14 9 8 5 3 3 5 5 6 5 19 7 8 11 15 7 5 2 20 3 7 12 100 20 13 6 12 13 4 3 5 3 3 6 29 5 2 2 4 2 1 2 4 2 0 3 4 4 4 26 12 16 10 15 14 8 1 12 25 7 7 6 5 3 6 5 5 4 5 4 4 2 16 5 22 3 1 3 4 7 17 5 4 1 2 6 13 2 2 4 7 7 7 3 2 2 2 2 4 11 51 7 3 1 4 6 5 2 4 7 5 5 9 5 3 1 4 7 3 1 3 22 17 2 3 4 4 16 8 4 19 3 3 3 2 3 11 48 22 22 5 4 8 5 4 3 47 33 11 4 0 3 5 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 3 6 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 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 3 2 1 1 3 2 1 2 3 2 3 2 3 2 1 2 3 2 1 2 4 3 1 5 9 10 6 7 44 42 7 4 4 2 2 3 4 2 2 3 3 2 1 2 3 2 1 3 7 3 3 4 4 6 34 15 4 3 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 87 86 s 1H | 79 79 s 1H | 77 77 ddd 1H J 11 21 82 | 75 74 t 1H J 81 | 73 73 t 1H J 22 | 70 69 ddd 1H J 12 22 79 | 63 63 s 1H | 42 41 s 2H | 41 40 q 2H J 66 | 34 33 s 3H | 25 24 s 3H | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2cc(N)ccc2NC1=O
ir: 28 14 15 24 7 7 7 16 9 13 4 4 5 2 1 5 9 10 1 4 8 4 1 5 5 2 8 7 16 5 19 27 6 9 6 12 9 17 18 51 31 14 20 10 3 3 4 2 2 2 1 3 5 26 12 2 2 2 2 1 2 2 1 3 4 9 5 11 12 6 11 3 3 2 1 1 2 3 2 9 14 4 1 2 3 5 2 2 4 11 1 3 7 2 1 0 4 7 8 5 14 5 1 1 2 3 3 4 9 6 14 3 5 3 2 4 2 2 1 2 3 5 14 4 4 3 4 5 7 4 14 5 4 3 4 4 2 2 1 2 2 6 86 13 7 8 16 37 15 100 5 1 3 5 16 11 14 35 10 4 1 1 1 3 4 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 3 3 1 2 3 6 4 5 11 5 8 44 27 17 4 4 3 2 2 1 1 3 1 2 1 1 2 3 3 8 47 10 4 3 13 31 42 44 29 7 3 34 43 10 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H | 79 79 d 1H J 88 | 74 72 m 6H | 67 66 dd 1H J 22 81 | 66 65 dt 1H J 8 20 | 63 63 s 1H | 50 50 s 2H | 47 46 s 2H | 44 44 m 1H | 29 28 dddd 1H J 9 86 95 163 | 28 27 dddd 1H J 9 86 95 163 | 24 23 m 1H | 21 20 dtd 1H J 59 89 148 | 14 13 d 6H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2cc3c(cc2O1)C1(CNc2ccccc21)CO3
ir: 7 4 1 7 4 8 5 4 15 13 9 5 9 13 16 2 3 4 11 19 7 8 9 9 6 3 2 4 8 9 2 3 2 0 2 7 14 4 7 4 5 5 23 13 9 3 2 3 2 1 1 17 9 3 6 4 3 5 2 4 4 2 2 5 2 13 12 19 36 25 6 4 3 2 3 17 19 1 2 2 2 7 3 7 4 7 5 1 1 1 2 2 2 6 3 2 8 1 4 5 12 5 3 15 23 12 4 1 3 5 2 2 3 4 1 3 8 8 10 13 13 10 9 7 2 3 3 5 2 6 6 12 11 18 27 13 5 4 4 27 22 6 9 4 33 100 14 10 3 9 65 28 15 5 2 1 1 2 3 7 11 3 5 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 3 6 3 5 3 1 2 2 4 10 5 16 22 19 80 80 2 4 7 2 0 2 4 1 1 2 3 1 1 3 2 1 2 3 9 9 24 41 66 68 77 12 6 3 7 11 5 2 2 2 2 1 1 1 1 1 1 2 1 0 1 3 1 1 2 3 2 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 73 72 dd 1H J 16 74 | 72 71 m 2H | 71 71 s 1H | 68 67 dd 1H J 15 68 | 66 66 s 1H | 57 57 t 1H J 34 | 48 48 s 2H | 47 47 d 1H J 123 | 45 44 d 1H J 123 | 43 42 dd 1H J 35 139 | 40 40 dd 1H J 34 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2c(F)cnc3[nH]ccc23)cc1
ir: 6 5 8 7 12 9 4 12 6 8 10 6 8 4 4 2 5 2 2 2 2 3 8 8 4 2 2 2 2 3 2 1 1 3 3 1 1 2 2 1 2 2 2 4 5 8 8 5 11 11 3 2 8 2 4 14 35 39 6 12 3 9 5 1 2 3 1 1 3 17 11 6 5 5 2 8 5 7 2 3 8 2 1 15 2 5 3 1 2 3 4 9 10 4 2 2 5 7 6 9 3 6 10 25 3 2 3 11 13 4 3 4 10 5 6 17 8 15 9 9 4 14 13 6 9 7 10 17 23 28 7 4 3 1 1 6 7 2 1 2 4 5 7 6 10 7 9 11 24 14 7 6 13 46 6 5 2 4 5 2 2 1 1 5 2 1 1 1 7 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 5 3 3 2 2 3 3 6 4 6 5 8 8 16 17 17 38 66 29 100 17 4 7 4 2 2 3 2 3 2 2 3 1 1 2 3 2 3 2 5 10 23 24 35 35 10 6 3 1 2 3 4 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 97 d 1H J 64 | 84 83 d 1H J 141 | 79 78 s 1H | 78 77 m 2H | 76 76 m 3H | 74 73 dd 1H J 51 64 | 70 70 d 1H J 50 | 63 62 t 1H J 38 | 40 40 qd 2H J 9 50 | 33 32 qd 2H J 37 61 | 15 14 t 3H J 49 | 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.
Oc1cccc2c1Sc1cc(-c3ccncc3)ccc1C2C1CCNCC1
ir: 75 31 8 7 3 3 4 3 2 5 14 11 6 8 2 2 15 18 8 2 3 2 3 1 1 2 4 3 20 3 10 2 9 7 7 1 2 3 2 11 3 5 6 0 11 16 15 10 15 38 9 4 6 1 7 32 23 14 5 4 3 3 6 8 2 1 19 21 8 7 5 12 19 14 9 10 6 10 9 4 8 4 21 16 9 14 14 30 12 10 8 4 13 10 5 3 2 2 2 2 4 3 2 3 4 3 2 6 4 2 3 28 4 6 17 75 8 7 9 4 3 3 1 4 2 10 2 12 19 10 2 2 4 4 7 8 4 3 8 9 12 7 8 2 3 4 6 10 6 4 5 6 5 8 9 8 7 5 9 8 4 1 1 2 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 2 4 4 4 3 4 3 5 6 6 25 61 57 21 12 8 9 7 3 32 30 4 2 2 2 6 5 1 3 5 41 100 31 8 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 m 2H | 81 80 s 1H | 77 76 d 1H J 22 | 76 76 m 2H | 75 75 dd 1H J 22 81 | 73 72 dd 1H J 6 82 | 71 70 t 1H J 77 | 70 69 m 1H | 68 68 dd 1H J 13 78 | 39 39 m 1H | 36 35 p 1H J 42 | 30 29 dddd 2H J 24 42 51 134 | 28 28 dddd 2H J 26 42 51 134 | 24 23 dp 1H J 60 82 | 19 18 dddd 2H J 25 52 60 135 | 16 15 dddd 2H J 25 51 60 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)cc1
ir: 4 5 11 7 16 15 3 3 3 1 0 1 2 4 2 1 3 9 2 1 1 1 0 0 1 0 1 1 1 1 6 1 2 4 1 1 2 5 2 0 0 1 1 1 3 4 6 8 9 22 100 26 6 4 19 14 7 1 8 11 3 0 3 3 3 6 5 4 3 7 2 2 2 1 1 6 1 2 1 1 1 1 1 1 1 0 1 2 7 21 4 2 2 2 2 2 0 4 2 1 1 0 1 1 1 4 3 2 0 10 2 1 5 3 1 3 0 1 2 1 1 1 1 1 1 1 1 7 2 1 1 0 0 1 1 0 1 7 3 7 4 2 4 17 7 2 7 12 11 6 2 3 14 6 35 7 14 8 2 2 1 1 2 5 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 2 2 5 7 46 12 11 4 6 2 3 3 53 25 1 1 1 0 0 1 1 1 0 1 1 2 1 6 9 11 10 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 83 83 s 1H | 78 77 m 2H | 75 75 m 2H | 74 73 m 4H | 72 71 t 1H J 80 | 70 69 m 2H | 69 69 dd 1H J 12 81 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cc(C(F)(F)F)c2cc(CO)n(S(=O)(=O)c3ccccc3)c2c1
ir: 7 3 2 5 2 5 6 10 7 16 14 11 6 16 8 6 9 16 84 19 12 16 12 5 11 7 11 7 4 9 19 7 5 7 2 3 3 9 10 36 49 12 2 5 3 0 42 9 4 5 2 1 1 4 7 5 3 6 20 9 8 4 13 4 4 5 2 4 5 22 3 3 3 4 22 5 3 6 5 2 5 5 3 5 62 23 39 62 9 10 12 9 9 33 23 19 34 14 23 28 0 32 4 6 22 18 2 2 4 2 0 1 3 2 0 2 8 23 5 5 5 9 2 4 5 5 7 6 9 3 1 2 7 5 5 4 3 2 2 8 5 4 5 10 2 3 4 6 5 2 40 3 2 1 2 4 30 4 4 3 4 2 1 2 1 3 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 2 2 3 1 1 2 2 2 3 8 12 15 100 47 24 12 9 9 74 15 4 6 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 99 98 s 1H | 82 82 d 1H J 21 | 81 80 d 1H J 22 | 78 77 m 2H | 77 77 s 1H | 77 76 ddt 1H J 15 72 88 | 75 74 m 2H | 49 48 dd 2H J 8 52 | 44 44 t 1H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(c2ccccc2)c2ccccc2C1c1ccc(OC)cc1
ir: 1 2 1 0 0 0 0 0 1 1 3 1 1 2 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 3 10 4 6 3 1 2 2 17 10 5 12 3 1 1 1 0 0 0 1 1 6 1 0 13 1 0 1 1 1 1 1 1 1 1 0 1 1 8 0 0 0 1 1 1 1 2 1 0 0 0 1 0 0 1 6 3 4 2 0 1 4 1 0 0 1 3 1 1 1 1 2 0 0 0 1 6 0 0 0 0 0 0 0 0 0 1 1 2 0 2 1 1 4 5 1 1 3 1 0 0 0 1 1 5 1 2 0 0 1 7 11 21 3 1 1 9 18 11 4 6 4 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 5 12 100 15 6 3 2 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 ddd 1H J 9 16 78 | 75 74 m 8H | 72 71 m 2H | 71 71 dd 1H J 16 79 | 69 69 m 2H | 54 53 m 1H | 42 42 q 2H J 71 | 38 38 s 2H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCC(C(=O)Cc1ccccc1)C2C#N
ir: 1 2 5 16 16 4 9 6 3 4 3 1 2 4 6 13 5 10 5 5 3 14 6 3 3 2 6 2 6 12 2 5 11 4 9 7 9 5 2 3 37 4 3 3 2 8 7 7 3 3 3 1 11 20 13 7 3 7 8 3 3 4 2 7 8 9 9 32 43 10 3 7 6 5 3 2 6 12 10 1 2 2 1 2 2 3 6 5 9 21 6 2 13 8 26 17 3 8 9 5 5 6 15 10 5 4 1 5 7 2 9 20 7 3 2 2 6 9 13 4 7 6 6 4 2 2 3 4 4 8 8 2 4 9 12 50 3 3 2 4 13 67 25 62 25 17 9 5 3 2 10 23 8 7 11 3 1 2 3 4 1 1 7 2 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 47 26 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 2 1 0 1 2 2 1 1 3 3 0 3 8 7 3 6 5 7 5 7 10 13 6 46 28 73 39 100 5 3 6 2 3 4 3 2 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 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; 1HNMR: 73 72 m 7H | 68 67 dd 1H J 21 74 | 66 66 dt 1H J 9 21 | 45 45 m 1H | 38 38 s 2H | 37 36 dt 1H J 8 140 | 35 35 dt 1H J 8 140 | 31 29 m 2H | 29 28 dddd 1H J 8 59 86 145 | 23 22 ddt 1H J 59 86 128 | 20 19 ddt 1H J 60 86 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC12C[C@]3(C)O[C@@](C)(C[C@@](C)(O3)P1c1ccccc1)O2
ir: 2 2 2 1 3 5 2 1 3 5 6 3 2 2 1 1 1 1 4 1 1 1 2 1 1 1 1 2 2 3 1 2 3 3 1 3 3 0 1 8 100 11 4 7 2 4 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 3 7 2 1 1 1 2 2 1 2 2 5 2 2 1 1 2 3 3 1 1 1 2 1 1 2 5 3 2 2 8 4 2 2 3 4 7 14 16 6 13 4 1 2 1 1 1 2 1 2 2 3 3 3 4 5 5 3 2 4 9 3 13 23 12 3 4 6 8 1 2 2 1 1 4 12 11 4 3 3 2 1 1 1 5 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 2 2 1 1 3 6 1 2 2 3 2 5 8 24 23 5 33 56 14 9 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 4H | 72 71 dt 2H J 14 57 | 20 19 d 2H J 125 | 18 17 d 2H J 126 | 15 14 s 3H | 14 14 s 3H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C(C)c2ccccc2)c1C
ir: 1 3 2 2 3 1 1 2 2 1 1 4 1 0 0 0 1 2 3 3 5 26 9 2 7 12 21 22 23 18 9 3 8 6 4 1 1 1 1 8 11 18 4 5 1 1 2 3 2 1 1 1 1 0 0 1 4 10 11 2 2 1 1 1 1 1 2 6 3 6 1 1 2 3 1 2 1 1 2 1 1 1 0 1 0 1 1 2 2 5 5 1 1 1 0 0 0 1 2 2 2 0 1 0 1 3 3 9 14 20 6 8 6 7 15 9 3 2 3 3 6 3 2 3 3 4 4 6 4 3 4 4 12 3 1 35 6 4 2 6 3 2 9 13 43 34 100 29 16 1 1 3 3 2 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 3 3 2 3 3 2 2 4 8 6 25 12 16 17 33 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 5H J 14 | 58 57 q 1H J 68 | 22 22 q 3H J 10 | 22 21 m 6H | 21 20 d 6H J 44 | 19 18 dt 3H J 58 128 | 16 16 m 2H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cncnc1N1CC2(CCOCC2)c2ccc(Br)cc21
ir: 2 4 4 1 3 2 3 1 1 2 3 2 1 7 2 2 2 1 2 15 5 2 2 5 6 2 6 15 2 2 2 3 21 13 8 17 17 67 23 39 16 20 7 5 5 8 7 1 1 1 1 2 6 22 14 16 2 3 2 4 16 3 2 0 6 10 9 12 13 5 1 5 8 11 5 1 2 12 17 4 2 4 5 11 9 10 23 9 11 4 1 6 3 2 3 2 19 6 10 5 6 2 2 2 2 1 1 1 0 1 12 24 85 15 4 2 8 12 5 1 2 2 1 6 9 2 3 13 2 3 3 25 2 2 6 3 6 30 9 2 2 2 13 24 7 19 8 3 2 3 16 6 24 100 12 3 35 34 7 1 1 10 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 1 0 1 1 2 3 2 3 2 2 2 2 3 2 4 25 13 21 14 14 13 2 1 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 18 | 85 84 d 1H J 18 | 73 72 dd 1H J 20 88 | 72 71 d 1H J 89 | 71 71 d 1H J 22 | 43 43 s 2H | 38 37 ddd 2H J 35 62 114 | 36 35 ddd 2H J 35 61 112 | 22 21 ddd 2H J 35 62 141 | 20 19 ddd 2H J 36 62 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)cn1
ir: 2 5 5 21 20 5 2 1 1 2 2 1 0 2 1 3 1 1 1 1 8 31 30 39 8 6 2 1 3 2 4 5 8 21 14 23 5 3 7 7 5 5 10 7 5 5 5 1 2 1 2 2 3 18 10 15 5 2 1 1 1 0 1 2 2 25 6 8 2 7 2 5 1 1 1 1 0 0 4 2 6 2 1 1 1 1 6 4 15 7 2 2 1 1 1 1 1 4 9 46 17 29 5 6 3 2 2 0 1 1 1 5 36 9 1 4 5 2 2 1 2 4 4 7 9 9 19 4 2 4 22 27 5 1 0 1 2 5 3 2 6 11 60 33 37 33 11 3 5 9 2 1 8 9 5 3 1 2 1 1 4 11 2 7 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 1 1 1 1 3 2 5 17 16 21 41 6 16 3 2 2 1 1 1 1 1 1 1 2 2 2 2 1 3 4 7 10 24 100 17 36 3 6 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 93 93 d 1H J 66 | 87 87 p 1H J 13 | 84 83 t 1H J 60 | 81 80 m 2H | 78 77 q 1H J 15 | 73 72 t 2H J 13 | 73 72 dd 1H J 32 67 | 65 64 dd 1H J 22 32 | 46 46 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)NCCN1C(=O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O
ir: 7 3 3 2 3 2 2 6 5 8 8 5 2 2 2 3 10 11 19 22 13 6 9 8 6 4 5 5 7 13 10 25 13 22 8 100 92 15 14 8 86 31 11 6 2 1 2 3 3 1 3 6 5 2 1 6 5 5 5 3 1 0 2 3 3 2 4 7 2 4 14 8 3 1 2 3 3 3 10 10 2 2 2 3 2 2 5 6 1 2 4 2 2 3 4 3 1 1 2 4 2 1 3 3 1 2 3 7 4 6 19 13 5 12 3 3 5 4 7 8 10 19 14 24 24 10 13 9 6 17 29 7 8 23 17 45 6 5 5 4 2 5 6 5 24 18 38 35 25 8 10 8 47 61 21 6 3 3 1 1 3 4 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 2 4 2 1 3 4 5 2 2 3 2 1 4 39 19 11 38 78 25 14 10 4 2 2 1 3 2 1 2 2 1 0 1 2 2 1 1 2 3 6 19 33 8 11 18 5 2 1 2 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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: 74 73 m 6H | 73 72 m 4H | 60 59 t 1H J 30 | 41 41 s 2H | 37 37 m 2H | 35 35 m 2H | 34 34 m 2H | 22 22 m 2H | 20 19 m 2H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
ir: 4 8 2 2 4 9 3 46 38 14 16 10 10 9 15 6 3 7 3 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 2 1 1 0 1 0 1 1 1 1 1 6 12 15 19 6 6 8 3 3 6 2 1 2 1 0 1 1 0 0 1 2 10 3 1 1 1 1 6 2 1 1 1 1 1 1 1 4 3 31 50 50 14 8 10 46 3 5 3 5 6 33 10 17 14 6 6 12 2 1 1 1 2 2 7 3 1 3 6 4 10 5 2 14 4 2 3 10 22 1 1 7 1 1 1 0 1 1 0 1 1 0 3 4 1 1 1 1 1 0 1 1 2 0 19 14 46 4 1 0 0 1 1 1 1 1 7 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 4 3 9 12 3 3 2 3 4 6 4 45 6 4 2 1 1 1 1 1 0 1 2 2 2 3 15 9 100 5 8 2 0 1 1 2 1 1 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; 1HNMR: 74 74 m 2H | 69 68 m 2H | 55 54 t 1H J 51 | 40 39 qd 2H J 51 130 | 31 31 hept 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc2c(c(N3CCNCC3)c1)OCCCC2
ir: 2 2 2 2 2 2 3 3 7 3 4 3 4 3 2 2 4 3 3 2 2 3 3 4 3 3 3 2 2 3 3 3 2 3 3 2 2 3 8 4 4 5 2 3 10 6 8 46 7 3 4 4 10 44 41 11 6 6 6 4 2 3 4 5 6 4 14 8 3 7 16 3 5 3 3 6 3 2 3 10 3 2 3 3 2 2 4 11 3 2 2 6 5 7 4 5 2 4 10 4 4 4 4 4 5 4 5 6 8 47 30 5 14 8 9 15 9 7 4 4 4 3 3 3 4 3 3 3 6 14 5 4 3 6 3 2 2 3 3 2 12 18 3 3 3 3 2 3 4 3 2 3 3 4 3 3 2 4 3 6 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 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 3 3 3 4 4 4 3 3 3 3 2 3 7 10 4 6 8 12 4 3 3 2 2 3 3 2 2 3 3 2 2 4 7 3 0 64 100 19 8 3 2 5 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 70 70 m 1H | 69 68 td 2H J 11 80 | 41 40 t 2H J 61 | 34 33 m 4H | 31 29 m 4H | 28 27 td 2H J 8 81 | 19 18 p 1H J 32 | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)C2C(=O)OC(C)(C)OC2=O)ccc2c1OCO2
ir: 4 3 4 2 2 3 2 1 2 1 2 2 6 2 1 1 1 1 1 3 2 3 7 2 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 2 2 1 3 6 1 1 1 1 0 2 4 1 3 9 3 1 1 1 0 3 2 1 1 2 8 2 1 1 2 2 8 4 1 0 0 0 1 0 0 1 1 1 1 0 1 0 0 1 1 0 1 1 1 1 1 1 1 5 2 1 3 2 6 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 3 4 3 4 4 6 5 4 2 2 4 1 1 1 3 2 8 5 2 13 13 10 9 100 34 12 5 1 0 1 1 5 2 1 1 0 0 1 3 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 0 1 1 1 3 2 2 7 6 4 4 2 9 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 84 | 69 68 d 1H J 84 | 59 59 s 2H | 50 49 s 1H | 24 23 s 3H | 18 17 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@@H]1Nc2ccccc2[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1
ir: 3 2 0 1 6 3 2 2 2 4 5 5 1 2 9 5 5 1 10 6 6 4 6 6 10 11 4 3 10 25 24 14 8 2 23 22 22 28 22 3 3 5 73 10 7 7 2 2 1 1 1 1 1 3 1 1 3 1 2 1 1 1 2 1 3 2 1 1 10 6 3 1 1 4 1 3 2 1 2 2 2 1 2 1 1 2 0 0 2 7 3 1 2 1 1 2 3 1 2 2 4 2 6 6 7 10 5 7 8 2 2 4 6 2 2 1 1 3 1 3 2 3 2 4 4 4 2 2 4 2 11 9 4 2 5 18 20 3 2 2 5 8 45 10 29 29 99 19 9 5 3 36 1 2 2 2 0 1 0 0 1 21 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 1 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 1 0 2 1 1 1 2 3 4 1 2 2 3 4 8 8 25 2 14 100 19 7 4 2 1 2 2 0 1 1 1 1 2 1 4 2 1 1 5 6 7 9 33 49 38 11 7 1 2 2 0 0 1 1 0 0 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; 1HNMR: 76 75 m 3H | 75 74 m 2H | 74 73 ddd 1H J 7 14 87 | 72 71 ddd 1H J 13 75 86 | 70 69 ddd 1H J 15 77 89 | 68 68 dd 1H J 14 84 | 68 67 d 1H J 92 | 64 64 t 1H J 67 | 50 49 m 1H | 43 43 d 1H J 71 | 40 39 dddd 1H J 35 49 62 95 | 37 36 ddd 1H J 54 72 119 | 36 34 m 3H | 33 32 ddd 1H J 46 68 128 | 29 28 m 1H | 22 21 m 2H | 20 18 m 6H | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)cc(C(=CC#N)c2cc(OC)c(OC)c(OC)c2)c1
ir: 3 4 2 3 4 3 2 3 3 3 2 3 3 3 3 4 4 3 3 5 4 3 3 5 5 4 2 3 4 2 3 4 3 3 6 4 3 4 4 4 5 2 2 3 3 3 2 3 3 2 2 4 3 2 5 5 3 2 4 5 5 0 8 20 23 17 18 22 16 26 13 6 6 6 7 3 5 6 14 10 3 2 3 2 2 2 3 2 2 3 3 7 12 4 3 3 2 2 3 4 2 2 3 3 2 2 3 3 3 3 3 4 2 3 3 3 3 4 4 4 3 3 5 4 5 4 6 5 3 5 5 4 6 3 3 2 2 3 4 5 3 2 2 2 2 3 2 2 2 3 7 7 4 4 3 2 4 8 3 5 18 21 45 23 5 4 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 3 4 3 3 2 2 3 2 2 3 4 4 4 5 6 9 20 22 100 25 8 7 5 3 3 3 3 3 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 68 68 d 2H J 22 | 68 68 s 2H | 66 65 t 1H J 23 | 58 58 s 1H | 39 39 s 6H | 39 38 s 4H | 38 38 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(CN)(c2nc(-c3ccc(F)cc3)cs2)CCO1
ir: 4 4 4 3 4 2 0 3 6 2 1 3 3 2 2 3 2 2 1 2 2 1 1 2 2 1 1 3 4 1 2 4 2 1 11 8 3 8 4 3 4 2 5 6 4 3 14 13 22 7 22 22 3 3 9 18 28 34 19 8 3 8 9 8 7 11 7 11 5 7 5 6 11 27 38 21 6 1 2 11 7 1 5 15 13 7 7 2 2 2 5 5 2 6 9 10 4 3 3 3 1 5 3 6 6 6 9 5 5 2 4 2 2 5 3 5 8 13 10 25 27 20 27 17 17 10 5 6 14 37 24 18 8 4 4 8 16 35 39 5 8 3 3 2 1 2 2 2 4 9 24 6 9 8 4 1 1 2 2 0 1 2 2 0 2 4 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 8 6 4 8 21 15 6 7 7 4 7 28 49 67 42 31 100 21 17 8 5 2 1 2 2 1 1 2 5 5 5 9 5 3 3 2 3 2 29 35 5 2 2 2 1 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 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 0 1 2 1 0; 1HNMR: 76 76 m 3H | 71 71 m 2H | 38 37 ddd 1H J 34 60 113 | 37 36 ddd 1H J 34 61 114 | 35 34 dt 1H J 60 132 | 32 32 dt 1H J 58 132 | 31 30 t 2H J 59 | 24 23 ddd 1H J 33 60 156 | 22 20 m 2H | 19 19 d 1H J 154 | 13 13 s 3H | 12 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)Nc1nccc2ccc(S(=O)(=O)Nc3ccccc3)cc12
ir: 4 4 8 3 3 10 4 7 5 3 15 13 11 7 6 10 7 5 16 26 5 8 5 6 4 6 6 4 2 3 7 5 3 4 2 4 3 3 5 3 3 3 6 15 16 4 5 3 5 8 6 1 1 5 4 4 9 0 1 0 0 0 1 6 3 3 2 9 2 10 2 3 2 2 2 3 3 2 3 4 8 0 2 4 23 6 8 24 3 1 3 15 5 4 2 2 0 2 10 2 2 19 19 2 1 9 2 1 1 1 1 6 1 3 12 2 3 2 2 13 9 2 2 15 7 11 5 7 4 2 4 1 1 0 1 2 2 1 8 3 5 3 5 20 18 2 6 6 4 4 4 10 10 2 2 1 2 16 4 1 13 1 1 0 1 3 12 3 9 33 37 10 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 2 1 1 13 26 20 17 3 2 8 7 2 2 3 3 1 1 2 38 19 3 9 6 15 3 1 6 8 7 35 26 100 13 7 2 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 25 | 82 82 d 1H J 48 | 82 81 dd 1H J 22 89 | 81 80 m 1H | 79 79 s 1H | 76 76 s 1H | 75 75 m 1H | 74 73 m 2H | 73 72 m 2H | 70 69 m 2H | 62 62 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1
ir: 6 4 5 4 7 6 3 5 8 9 4 4 6 3 3 1 3 3 1 2 2 8 8 2 3 5 7 7 5 7 21 27 43 25 32 3 9 5 7 43 45 16 7 9 4 5 3 4 1 4 4 1 2 1 4 11 54 2 2 2 13 9 5 2 2 5 3 2 3 8 3 9 11 2 1 1 3 2 9 3 1 2 2 1 1 1 2 3 7 7 2 1 1 2 4 6 5 11 9 3 4 2 2 2 1 3 2 2 5 11 9 5 2 2 1 1 3 5 9 8 16 22 15 46 24 12 2 7 9 12 10 5 2 6 9 17 3 1 3 4 4 19 28 39 45 54 18 15 23 43 3 4 12 1 1 2 1 0 1 1 1 2 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 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 3 2 2 1 2 2 3 1 3 6 5 9 7 13 24 3 6 69 19 7 6 1 4 4 3 1 1 1 2 1 1 1 1 1 3 4 3 2 5 6 10 71 100 17 4 2 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0; 1HNMR: 76 75 d 1H J 88 | 74 73 m 6H | 72 71 dt 2H J 9 85 | 68 68 m 2H | 62 62 d 1H J 84 | 51 51 s 2H | 45 44 m 2H | 37 37 s 3H | 30 29 ddt 1H J 9 64 140 | 27 27 ddt 1H J 9 64 141 | 14 14 d 3H J 62 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(/C(F)=C/c2ccc(OC(F)(F)F)cc2)nn1Cc1cccc(N2CCC(C#N)CC2)c1
ir: 2 4 7 3 2 6 5 7 5 6 16 8 4 9 14 6 3 7 5 2 2 8 4 3 3 5 8 3 3 11 9 4 3 6 8 4 6 7 4 7 5 6 6 4 3 11 24 15 9 7 4 3 4 8 11 22 8 10 5 0 3 6 3 1 4 12 10 22 21 16 9 5 16 4 10 8 13 6 3 5 9 6 3 2 4 4 3 2 10 13 5 11 12 10 9 10 32 40 98 62 33 51 25 10 9 6 3 4 14 16 6 4 10 5 5 5 8 7 9 5 5 3 3 7 7 7 5 6 5 5 4 4 5 6 10 6 7 6 2 4 6 18 8 11 7 8 41 20 8 2 9 10 16 9 31 39 13 5 3 4 3 3 12 10 4 4 2 5 3 0 2 5 2 0 3 5 2 0 3 5 3 1 3 4 2 1 3 4 1 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 5 3 1 4 7 6 4 3 5 4 1 6 8 7 4 14 16 56 100 63 64 10 10 5 7 4 2 5 5 2 1 3 5 2 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 74 74 m 2H | 73 72 ddq 1H J 10 22 71 | 72 72 m 2H | 72 71 t 1H J 73 | 70 70 s 0H | 70 69 m 3H | 63 62 d 1H J 39 | 52 52 t 2H J 9 | 35 35 ddd 2H J 44 71 116 | 33 32 ddd 2H J 44 71 117 | 27 26 p 1H J 46 | 23 23 s 2H | 21 20 ddt 2H J 45 71 117 | 19 18 ddt 2H J 45 70 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(C(O)c2nc(-c3ccccc3)nn2C)c1
ir: 2 2 1 2 1 3 2 4 3 2 1 1 1 1 1 3 3 3 3 1 2 3 4 4 2 2 2 2 3 2 13 6 11 2 1 1 2 8 3 2 24 17 2 3 3 2 2 8 1 1 2 3 1 1 1 1 1 1 1 3 2 3 1 1 2 4 3 4 8 5 1 2 2 2 2 6 4 2 3 4 3 4 2 9 10 8 12 27 21 10 4 2 2 3 1 2 4 2 2 2 1 1 1 1 1 1 1 1 1 1 0 3 1 2 1 2 2 5 2 2 2 2 2 2 2 3 2 3 4 2 1 1 2 2 5 5 3 1 1 5 6 7 1 1 2 5 3 2 1 1 1 1 3 1 1 2 2 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 2 4 3 4 3 3 2 3 4 4 15 8 11 6 18 25 40 16 13 5 3 4 5 18 100 31 15 3 0 5 4 1 2 2 3 3 3 4 9 7 5 5 4 2 2 2 2 3 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 dt 2H J 13 87 | 75 74 m 3H | 73 72 m 3H | 72 72 dtt 1H J 9 15 64 | 60 59 m 1H | 40 40 s 2H | 40 39 d 1H J 51 | 27 26 dddd 2H J 8 65 72 81 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2
ir: 10 8 27 6 5 4 3 3 7 25 9 4 7 6 5 6 8 4 4 8 9 7 12 7 3 19 25 54 63 67 42 22 13 3 4 14 7 33 12 7 4 1 3 6 3 0 3 5 5 2 5 8 6 27 18 7 5 7 7 10 6 5 13 10 6 6 12 15 29 25 8 7 4 7 5 8 7 2 3 4 2 2 4 4 2 4 17 36 5 8 6 19 27 5 6 8 15 13 13 17 13 8 3 3 4 4 7 13 8 7 2 19 5 4 6 3 2 6 12 10 8 12 8 32 54 52 14 17 14 15 17 12 5 4 4 3 2 3 5 3 9 9 13 17 39 100 46 23 17 65 31 10 16 12 4 3 5 5 2 3 2 12 4 1 2 3 2 2 3 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 3 3 2 3 4 8 6 10 8 4 4 7 6 8 11 3 5 3 17 17 95 14 17 87 100 10 13 5 4 4 3 3 2 2 4 4 3 2 3 3 2 2 3 3 2 15 31 60 41 23 9 7 3 3 4 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 70 70 dt 1H J 9 90 | 69 69 dd 1H J 22 90 | 69 68 dt 1H J 9 19 | 51 50 d 1H J 70 | 43 42 dp 1H J 51 70 | 32 31 m 2H | 29 28 m 2H | 23 23 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(NC(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)c1
ir: 0 1 3 2 1 3 2 5 14 6 3 2 5 4 6 10 5 2 2 2 1 2 7 14 22 17 5 5 3 1 2 3 6 8 11 20 7 2 3 4 5 3 2 2 5 5 13 9 4 9 31 19 8 11 14 6 5 15 64 16 10 9 3 1 2 2 4 6 16 8 4 4 16 11 10 1 4 3 1 1 4 6 7 3 4 3 7 1 4 4 6 4 4 2 3 4 6 15 15 6 5 14 0 12 12 36 5 3 6 3 3 3 4 3 4 4 7 4 4 4 4 2 4 4 3 3 9 10 4 2 3 6 13 2 1 2 3 1 1 3 11 13 33 17 13 54 13 9 8 47 19 15 8 20 17 9 6 3 3 2 18 75 23 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 6 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 0 1 3 2 2 2 4 3 2 2 4 2 3 12 9 16 100 32 17 24 14 7 5 3 1 2 3 2 2 2 2 1 1 3 3 1 3 6 8 14 19 57 6 11 5 2 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 88 88 s 1H | 79 79 t 1H J 21 | 77 77 d 1H J 88 | 77 76 dt 1H J 19 64 | 75 74 m 3H | 73 73 m 1H | 72 71 m 2H | 72 71 s 1H | 51 51 dddd 1H J 12 22 45 54 | 37 37 m 1H | 36 35 m 1H | 23 22 dddd 1H J 28 50 73 114 | 21 20 m 1H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
ir: 100 22 0 6 10 34 34 5 6 4 5 12 23 25 5 5 2 2 3 3 4 3 2 3 4 6 2 2 2 2 2 1 2 2 2 2 3 4 9 5 3 2 6 3 2 3 4 4 4 14 3 2 2 2 3 3 3 3 3 4 14 8 4 3 7 8 4 3 3 4 2 3 3 2 2 4 4 5 5 10 9 6 2 2 2 2 2 2 3 3 2 16 22 30 26 7 5 5 5 27 12 13 5 4 3 3 3 3 3 3 5 6 3 8 9 5 4 3 3 6 4 7 11 19 28 8 7 4 4 3 4 5 5 11 19 15 10 5 6 3 3 3 3 3 38 6 2 2 2 2 2 2 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 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 2 2 1 1 1 1 2 2 2 2 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 4 5 5 3 6 6 7 5 3 5 4 4 6 6 25 13 4 5 4 3 3 3 2 2 3 47 7 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 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; 1HNMR: 58 58 s 1H | 52 51 p 1H J 44 | 20 20 s 2H | 18 18 dd 2H J 43 129 | 16 15 dd 2H J 44 130 | 12 11 d 13H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2c(c1)ncn2C1CCCCO1
ir: 19 13 2 12 13 7 2 8 16 6 6 13 16 5 0 10 15 10 6 18 14 5 6 10 12 4 4 17 42 84 87 17 17 5 6 14 23 17 6 16 14 2 5 13 9 3 8 20 8 2 8 17 18 19 40 62 29 5 19 20 9 2 8 17 12 20 69 38 11 7 20 17 10 5 14 27 25 6 11 38 22 7 11 11 3 2 10 10 4 11 15 11 2 5 15 20 12 12 23 50 45 19 28 14 3 8 12 11 12 32 19 33 9 13 17 14 6 34 20 14 3 14 22 13 17 45 100 63 27 14 11 8 4 10 10 5 4 10 12 4 5 15 25 56 56 20 16 8 5 9 8 5 18 29 16 7 6 10 7 2 5 10 7 2 6 13 7 1 5 11 6 0 6 11 6 1 7 11 5 1 7 10 5 1 7 10 4 2 7 9 4 2 8 9 4 3 8 9 3 3 8 8 3 3 9 8 3 4 9 8 2 4 10 7 2 5 10 7 2 5 10 6 1 5 11 6 1 6 11 6 1 6 11 5 1 6 10 5 2 7 10 5 2 7 10 4 2 8 9 4 3 8 9 4 3 8 9 3 3 8 8 3 4 10 8 4 6 10 9 5 6 12 9 4 9 13 12 8 11 21 18 8 21 26 59 36 29 38 33 24 18 12 8 2 9 10 7 2 8 10 5 3 7 9 4 3 7 9 4 3 8 8 4 3 8 8 3 4 9 8 3 4 9 7 3 4 9 7 2 5 9 7 2 5 10 6 2 5 10 6 1 6 10 6 1 6 10 5 2 6 9 5 2 7 9 5 3 7 9 4 3 7 8 4 3 7 8 4 3 8 8 4 4 8 7 3 4 8 7 3 4 8 7 3 5 9 7 3 5 9 6 2 5 9 6 2 5 9 6 2; 1HNMR: 84 83 d 1H J 7 | 81 81 d 1H J 22 | 79 78 dd 1H J 21 83 | 76 75 d 1H J 84 | 59 59 m 1H | 39 38 m 1H | 37 37 m 1H | 26 26 s 2H | 24 23 dddd 1H J 29 45 97 104 | 21 20 m 1H | 19 18 m 1H | 18 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1
ir: 11 2 1 1 0 1 1 2 4 4 2 20 2 1 2 2 1 1 5 3 9 25 7 11 7 6 6 1 0 1 2 1 1 0 1 3 1 0 2 1 1 3 24 2 1 1 2 2 2 2 3 3 16 17 3 0 2 4 12 7 2 1 1 1 17 3 3 5 3 2 12 10 5 4 3 3 2 5 8 17 14 13 3 6 29 4 0 1 10 1 1 2 2 14 2 1 1 3 1 3 6 2 1 15 26 9 5 10 17 6 2 1 3 1 1 1 2 1 1 2 1 2 2 3 4 3 1 1 4 3 3 2 1 1 1 1 1 7 1 1 1 3 3 20 8 2 1 1 1 1 1 3 3 3 1 1 1 1 0 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 0 2 2 1 1 2 3 9 15 11 2 2 2 1 1 1 0 8 62 3 0 1 1 0 1 1 2 1 1 6 100 13 3 20 22 6 3 1 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; 1HNMR: 95 95 s 1H | 92 91 d 1H J 68 | 82 82 d 1H J 106 | 77 77 m 2H | 76 76 m 1H | 74 73 dd 1H J 13 76 | 73 73 m 2H | 72 72 td 1H J 11 75 | 72 71 m 2H | 41 40 dt 1H J 75 106 | 34 33 m 1H | 31 30 ddd 1H J 7 75 139 | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(C(=O)OC(C)(C)C)CC4)c3c2)cc1
ir: 3 5 5 5 8 4 4 5 6 5 4 7 20 7 11 15 6 5 6 4 31 10 3 5 8 5 4 2 2 5 10 9 7 2 9 3 2 2 2 3 9 10 47 7 3 3 2 2 2 2 1 1 4 3 33 48 4 2 2 4 5 2 4 3 5 3 6 4 4 6 2 2 3 3 3 6 5 2 2 1 2 2 1 1 1 3 3 3 2 1 2 2 1 1 2 2 3 4 2 3 11 3 1 3 3 5 4 3 3 2 5 5 2 3 2 3 5 9 8 26 5 7 15 14 6 4 2 6 3 8 6 5 5 4 9 8 3 5 3 2 2 2 5 28 17 17 3 2 8 3 2 32 9 22 6 2 2 3 16 65 19 5 3 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 2 2 2 2 2 3 3 7 14 4 8 18 10 6 7 14 3 2 1 2 1 1 1 1 1 1 1 1 2 12 2 1 1 2 3 4 13 14 16 7 5 13 100 5 2 2 3 2 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 22 | 81 80 d 1H J 21 | 76 75 m 4H | 71 71 m 1H | 70 69 m 2H | 38 37 m 4H | 37 37 m 1H | 36 35 ddd 2H J 59 85 123 | 30 29 pd 1H J 7 55 | 23 22 ddt 2H J 56 84 126 | 20 19 ddt 2H J 56 84 126 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OCc2ccccc2)cc1
ir: 3 3 3 4 3 3 1 6 5 6 17 35 40 9 6 2 2 3 4 3 4 5 3 8 9 7 6 7 3 7 9 5 8 4 5 7 8 14 7 6 58 12 6 4 4 8 8 3 5 10 10 14 13 19 15 58 37 19 9 3 11 4 6 8 6 6 3 3 6 11 14 4 9 37 25 17 6 21 20 5 6 6 2 2 3 4 5 4 6 20 4 3 3 3 2 3 5 22 6 4 5 4 8 8 13 33 1 3 5 3 2 3 6 5 11 57 5 5 8 13 7 6 6 6 15 10 12 9 2 9 12 4 13 5 15 13 5 3 4 3 3 7 16 62 15 5 7 9 21 9 14 57 51 24 17 10 28 41 21 10 15 19 7 16 15 10 3 12 3 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 3 3 3 4 3 4 3 3 3 2 4 8 8 8 24 29 33 92 45 18 28 10 25 8 5 4 4 3 4 3 6 3 3 3 4 5 7 8 8 22 20 100 88 49 12 6 7 7 5 2 5 4 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 3 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 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 88 88 s 1H | 84 84 s 1H | 74 74 s 1H | 74 73 m 5H | 73 73 m 1H | 72 72 m 2H | 71 70 m 2H | 53 52 d 2H J 8 | 24 23 d 3H J 9 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)CN(c1cccc(N(C)C)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
ir: 10 10 14 26 24 9 10 16 9 19 11 5 4 8 8 32 17 50 24 8 4 7 13 6 9 2 4 1 4 8 45 18 13 5 14 4 3 5 4 7 15 5 10 3 4 4 6 3 23 6 2 3 4 9 11 50 10 5 4 8 6 13 9 16 8 7 8 7 9 27 12 28 42 14 3 14 18 11 15 8 12 18 20 67 76 57 39 57 62 6 21 20 24 22 7 7 3 3 3 8 7 15 7 2 2 2 1 4 0 4 5 16 12 9 7 7 7 6 11 15 32 12 32 8 4 6 5 7 2 10 11 8 5 9 7 3 11 5 2 7 5 21 6 5 5 4 9 97 31 43 10 2 5 9 12 1 30 15 5 4 2 2 9 5 16 3 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 5 2 3 1 1 2 3 3 3 5 4 3 7 32 31 15 63 100 52 7 7 3 3 2 4 3 1 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 77 77 m 2H | 74 74 m 2H | 73 72 ddd 1H J 13 22 77 | 72 71 t 1H J 75 | 67 66 t 1H J 21 | 66 65 ddd 1H J 13 22 75 | 43 42 s 2H | 34 33 q 5H J 73 | 29 29 s 5H | 14 13 s 8H | 12 11 t 7H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)O)n21
ir: 5 15 34 7 3 5 3 5 1 5 3 3 6 4 2 3 3 2 2 3 2 1 1 1 1 1 10 2 1 3 7 2 3 2 3 1 1 2 4 1 1 3 20 5 2 1 1 3 1 1 1 1 1 3 2 15 15 24 6 3 5 2 1 0 15 17 9 9 4 6 2 1 0 0 1 1 1 0 3 3 1 3 4 4 12 3 1 3 2 7 11 10 2 7 4 6 19 17 1 16 8 10 5 2 1 2 1 1 1 0 4 1 0 1 1 2 1 3 4 4 6 4 11 6 4 2 4 20 2 8 3 1 1 3 1 1 0 1 1 0 1 1 1 0 2 23 15 6 24 10 3 1 9 2 1 1 1 7 2 0 6 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 3 1 1 1 2 2 1 1 1 2 5 7 18 19 1 19 100 46 47 18 5 1 6 1 4 5 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 79 79 d 2H J 22 | 74 74 t 1H J 22 | 72 71 m 4H | 37 36 dt 1H J 8 125 | 34 34 dt 1H J 8 125 | 18 18 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(NC2CCCC2)c(I)c1
ir: 1 1 0 1 1 1 2 2 1 0 0 2 11 25 3 1 2 1 3 100 67 2 3 2 1 1 1 0 1 1 1 1 1 2 1 4 2 2 1 1 2 1 1 1 1 1 1 1 0 0 1 1 1 1 3 1 12 7 3 1 3 2 1 1 1 3 8 4 2 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 2 4 0 0 1 1 3 1 1 2 2 2 1 2 3 1 0 1 2 1 3 4 1 1 1 1 1 3 1 1 1 3 8 7 2 4 5 0 1 1 1 1 1 1 1 1 1 1 0 1 2 3 61 6 7 23 24 1 1 0 0 1 1 0 0 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 1 1 11 9 2 2 22 10 7 3 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 2 1 5 5 2 14 38 29 3 3 3 1 2 1 2 2 1 2 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 22 121 | 70 69 ddd 1H J 21 75 99 | 69 68 dd 1H J 47 75 | 47 46 d 1H J 68 | 37 36 dp 1H J 36 71 | 21 19 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCC1=CCN(Cc2ccccc2)CC1)c1ccccc1
ir: 6 5 6 3 3 3 1 4 2 2 1 20 24 6 1 1 2 2 4 3 1 1 2 2 1 1 1 2 10 11 37 5 5 4 7 8 5 3 7 41 47 44 7 3 4 9 3 1 2 2 1 2 1 2 2 1 1 3 4 2 1 3 3 4 4 13 10 4 23 31 6 3 2 2 2 4 6 19 7 3 50 6 2 1 3 3 7 8 4 44 18 4 1 2 6 5 5 8 9 5 4 5 3 1 1 1 1 1 1 1 2 2 2 7 14 22 7 4 5 4 5 3 5 6 21 4 4 4 5 2 2 3 5 12 36 51 5 4 4 3 2 22 41 92 43 41 26 20 7 0 1 6 3 1 2 2 5 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 2 2 2 1 2 4 5 4 20 12 38 100 35 9 4 4 2 1 4 2 1 4 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 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 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 m 2H | 76 75 m 1H | 75 74 m 2H | 73 72 m 2H | 73 73 s 3H | 58 57 tp 1H J 11 31 | 47 46 q 2H J 11 | 37 37 s 2H | 33 33 dp 2H J 11 29 | 28 28 m 2H | 25 25 ddq 2H J 10 47 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@@H](CSc1ccc(F)cc1)N[C@@H]1CC[C@@H](c2ccc3[nH]c(=O)oc3c2)CC1
ir: 1 1 5 3 5 3 2 2 1 3 4 19 21 5 3 2 2 2 2 1 2 1 1 3 3 3 2 4 4 1 3 1 0 6 7 5 18 8 3 8 3 13 5 2 2 3 2 3 1 2 1 6 6 11 38 13 2 4 1 0 1 2 0 0 1 3 2 1 9 3 1 1 1 2 1 1 3 2 0 0 1 2 0 0 1 5 0 1 1 1 0 0 1 1 4 1 2 3 5 4 2 4 3 8 6 5 2 8 8 3 2 2 4 4 7 6 4 4 7 2 8 5 7 21 9 8 5 3 3 7 4 17 5 12 4 5 8 8 0 3 1 2 2 5 6 12 9 3 3 1 3 5 2 4 0 6 10 100 3 1 1 1 4 1 2 0 1 0 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 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 1 0 1 1 1 1 0 1 1 0 1 1 2 1 3 3 1 1 1 3 3 4 11 13 11 41 15 4 6 3 2 1 1 2 1 1 2 4 3 2 4 4 5 4 3 16 12 16 8 53 24 6 3 2 0 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 s 1H | 75 75 d 1H J 86 | 73 73 m 2H | 71 70 m 3H | 70 69 m 1H | 31 30 dtt 1H J 46 55 79 | 30 29 dd 1H J 44 139 | 27 26 m 2H | 26 25 m 1H | 20 19 m 2H | 19 16 m 6H | 16 14 ddt 2H J 60 90 133 | 14 13 m 2H | 13 12 m 1H | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2ncc(C#N)c(Nc3ccc4c(=O)[nH][nH]c(=O)c4c3)c2cc1OCC
ir: 3 5 5 5 4 3 3 4 6 12 8 11 10 5 9 4 2 4 4 3 11 12 4 7 4 2 3 2 2 2 2 1 2 8 44 92 5 2 3 2 2 2 2 3 3 3 3 3 2 2 5 26 4 3 2 10 9 1 5 1 2 2 5 2 2 4 2 7 28 4 9 6 2 8 4 13 4 3 2 2 4 6 1 1 1 1 2 4 1 2 4 5 6 1 2 3 2 1 1 1 2 6 3 6 3 1 1 27 4 1 2 2 2 5 4 2 2 2 3 4 8 3 6 2 4 4 8 2 7 2 3 24 1 1 2 1 1 1 1 2 5 4 2 6 2 2 2 11 2 3 6 7 100 19 5 12 17 3 2 29 3 2 10 2 8 3 2 6 2 1 1 1 1 1 1 2 1 1 1 2 1 0 18 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 2 1 1 1 1 1 1 2 1 1 1 2 4 3 6 7 15 12 5 3 2 2 2 2 1 1 1 2 2 1 1 2 1 3 1 3 3 5 4 20 92 34 10 5 2 7 4 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 82 82 s 1H | 78 78 d 1H J 85 | 77 76 d 1H J 22 | 75 75 s 1H | 75 75 s 1H | 73 73 dd 1H J 21 83 | 42 41 qd 5H J 32 62 | 15 14 t 7H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(-c2ccncc2)cc1Cc1ccc2ccccc2c1
ir: 5 8 5 3 1 2 2 3 1 9 7 13 4 6 2 3 2 2 1 1 1 3 1 1 1 1 3 1 2 1 1 2 10 4 3 1 3 6 8 3 2 3 10 2 2 2 1 6 2 1 1 1 2 3 6 3 2 3 1 1 3 2 1 4 2 2 2 2 2 6 3 3 2 8 6 5 2 4 3 2 4 2 1 2 8 3 1 1 3 1 2 1 1 8 3 2 2 3 2 3 4 7 7 6 4 2 1 2 1 1 2 11 3 2 2 2 2 3 1 2 3 4 3 2 1 2 3 2 1 4 1 1 1 1 4 5 5 3 2 6 1 2 1 1 1 1 5 8 2 2 2 2 15 11 3 1 2 14 2 1 36 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 6 13 100 26 11 3 2 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 m 2H | 79 79 dd 1H J 7 81 | 78 78 m 1H | 77 77 q 1H J 16 | 77 76 dt 1H J 9 87 | 75 75 d 1H J 11 | 75 75 m 2H | 74 74 ddd 1H J 11 68 82 | 73 73 ddt 1H J 9 27 79 | 73 72 t 1H J 9 | 44 43 q 2H J 63 | 41 40 q 2H J 8 | 14 13 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(O)CCC[C@@H]1N
ir: 2 2 2 4 2 3 2 3 0 4 5 3 5 14 13 11 10 15 7 16 19 5 15 20 5 8 13 3 6 4 3 4 4 3 5 3 1 1 1 2 2 1 1 2 2 1 1 1 2 1 2 3 3 4 13 31 20 1 3 6 6 7 19 40 14 11 6 3 7 5 4 3 4 3 6 8 30 59 64 22 6 22 9 6 4 5 9 6 10 5 10 5 8 5 12 12 6 3 2 3 4 3 5 6 9 3 4 7 5 3 6 5 5 6 3 2 2 3 2 2 5 5 8 5 4 13 4 3 9 12 7 24 35 20 12 14 12 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 3 4 1 4 1 4 2 7 6 3 2 3 1 2 1 4 3 26 100 16 3 2 2 6 10 19 28 24 12 9 9 3 5 99 52 11 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 45 45 s 1H | 29 28 dtt 1H J 23 43 85 | 27 26 d 2H J 61 | 18 15 m 7H | 12 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
ir: 16 12 20 31 8 6 4 5 14 15 7 31 26 5 4 2 1 5 6 6 3 2 11 13 2 5 2 2 3 14 14 6 1 8 9 3 6 8 13 42 15 25 7 7 14 4 3 2 2 1 3 2 2 2 5 4 3 2 6 7 3 3 6 17 9 5 5 5 12 6 2 3 2 14 9 2 5 14 8 7 10 44 10 4 4 6 24 25 4 21 3 4 3 4 3 3 5 15 13 7 5 5 3 5 5 6 1 5 5 2 2 4 7 8 1 3 7 15 35 33 38 15 33 10 9 5 5 13 12 21 26 24 18 15 12 27 10 13 6 4 3 3 17 40 9 3 7 5 2 1 51 100 24 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 1 3 5 3 3 4 3 3 8 3 2 4 6 5 8 10 44 60 15 85 52 8 3 3 2 3 2 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 5H | 40 39 qdd 1H J 27 55 82 | 36 35 m 3H | 35 34 ddd 1H J 35 59 113 | 31 29 m 2H | 29 28 dd 1H J 27 106 | 26 26 dd 1H J 56 107 | 15 14 s 7H | 13 13 d 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN(Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C
ir: 2 7 10 2 2 2 1 5 5 6 11 7 17 3 4 2 1 2 1 1 4 1 2 3 1 1 5 1 0 1 2 2 1 1 1 1 0 1 0 1 1 2 11 5 3 3 2 2 1 0 0 1 1 1 1 0 1 1 1 1 1 1 3 1 3 3 2 2 1 0 1 1 1 3 3 7 1 1 0 1 0 1 2 1 1 1 0 1 1 5 1 4 9 3 2 1 1 2 6 19 13 2 2 2 3 1 2 2 6 13 4 4 8 4 2 3 1 3 2 4 25 13 10 8 6 4 4 9 3 11 6 11 8 14 1 2 2 6 2 1 1 1 2 5 37 15 2 1 1 7 7 100 3 0 0 2 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 1 1 2 3 3 1 1 1 1 5 2 13 15 6 6 19 3 2 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dp 1H J 14 102 | 74 74 m 2H | 73 72 td 1H J 13 72 | 45 45 d 2H J 9 | 42 41 q 2H J 66 | 36 35 t 2H J 67 | 27 26 t 2H J 67 | 15 14 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.
Cc1nsc(C2CCCN(C(=O)OC(C)(C)C)C2)n1
ir: 3 3 2 4 3 7 4 4 6 8 7 9 10 5 3 2 2 1 2 2 2 2 2 1 1 1 1 2 2 2 2 1 1 1 1 3 1 1 1 3 1 2 1 1 1 1 1 1 2 4 6 4 2 2 2 1 1 2 2 2 1 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 3 2 3 2 1 1 1 2 4 7 2 2 1 1 2 1 2 1 1 1 2 2 2 4 2 1 4 5 4 2 12 12 7 5 5 3 2 2 3 9 11 10 5 22 10 2 8 5 9 4 10 13 24 6 5 2 2 1 2 2 3 2 1 1 1 1 1 2 1 1 4 4 100 6 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 3 3 3 2 3 3 2 4 2 5 6 34 4 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 1 1 1 1 1 1; 1HNMR: 42 41 dd 1H J 47 129 | 39 39 dd 1H J 48 128 | 36 35 m 3H | 34 33 ddd 1H J 36 63 123 | 24 23 s 3H | 22 21 dddd 1H J 61 69 92 141 | 21 18 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Br)c1ccc(Cl)cc1Cl
ir: 2 4 5 4 3 9 14 3 1 4 5 2 1 3 4 7 2 7 5 3 2 4 4 2 2 5 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 15 7 4 5 4 1 2 6 4 1 4 16 38 23 12 6 3 1 3 6 5 2 4 6 15 4 40 13 13 2 6 5 3 2 4 4 2 2 7 6 3 2 5 4 4 3 4 6 4 8 32 60 32 10 14 15 6 6 7 5 2 3 5 3 1 3 5 3 2 5 6 4 3 6 9 8 3 19 10 8 2 5 8 5 8 5 5 3 2 4 5 2 1 4 5 2 2 5 8 23 4 5 6 0 0 22 100 13 7 15 10 6 3 4 3 3 3 6 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 3 3 4 4 3 3 4 3 3 3 4 5 3 9 10 17 17 19 6 51 70 31 14 6 1 4 6 3 1 3 5 3 2 3 4 2 2 4 4 3 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 74 74 d 1H J 17 | 73 72 m 2H | 52 52 q 1H J 71 | 20 20 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CCc2cccc(N)n2)cc1
ir: 7 5 3 6 3 2 5 6 12 7 6 7 13 4 2 4 20 24 30 4 2 3 2 2 1 2 1 2 2 1 2 4 4 10 4 6 3 3 2 2 2 1 2 2 5 6 35 34 10 6 3 4 4 4 7 14 6 5 2 2 3 2 2 1 6 5 2 1 2 2 2 2 2 1 2 2 1 2 6 2 17 4 2 1 1 1 1 2 1 1 1 3 7 2 2 1 1 1 4 3 3 2 0 1 1 0 1 1 1 2 2 3 3 5 7 3 19 20 2 3 2 2 1 2 3 7 2 2 7 9 4 3 3 2 1 4 2 7 49 2 1 3 9 18 7 16 6 12 24 93 27 9 10 2 2 10 34 86 5 7 2 3 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 0 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 2 1 1 1 1 2 2 2 1 2 2 1 3 3 2 6 7 5 13 47 15 3 4 3 1 1 2 2 1 1 1 2 1 2 2 5 3 6 47 5 3 3 1 0 2 2 1 3 5 33 100 9 4 2 2 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 73 73 t 1H J 78 | 72 72 dt 2H J 9 84 | 70 69 dq 1H J 9 79 | 65 65 dd 1H J 11 77 | 47 47 s 2H | 44 43 q 2H J 64 | 30 30 m 2H | 30 29 dddd 2H J 8 20 74 83 | 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.
CCOC(=O)c1cc2cc(OCCCS(C)(=O)=O)cc(N(C)S(=O)(=O)c3ccccn3)c2[nH]1
ir: 3 2 2 5 6 3 9 2 3 1 1 11 2 5 9 17 2 2 11 52 5 8 3 2 3 2 2 13 1 2 3 1 1 2 1 3 2 3 10 7 3 6 18 6 8 6 3 2 5 9 4 2 2 3 45 1 3 10 2 1 1 4 3 5 9 4 8 10 19 48 8 1 10 3 8 1 2 5 10 4 2 5 7 4 7 47 34 56 6 5 4 2 2 2 1 1 2 4 2 3 2 9 24 43 42 19 0 1 7 15 4 6 7 2 1 3 5 6 2 6 12 15 4 5 7 7 6 7 5 2 1 5 13 24 6 9 8 5 2 3 2 1 1 8 41 2 1 3 4 61 4 0 1 5 1 3 21 2 13 3 4 1 1 17 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 2 3 5 2 3 3 1 1 2 4 7 28 8 12 15 100 64 3 6 7 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 3 2 3 4 6 12 31 5 2 3 3 0 2 2 2 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 dd 1H J 17 41 | 80 79 ddd 1H J 17 69 86 | 79 79 dd 1H J 16 84 | 75 75 ddd 1H J 15 42 70 | 72 72 d 1H J 22 | 70 70 t 1H J 22 | 68 67 d 1H J 22 | 44 43 q 2H J 64 | 42 41 t 2H J 70 | 36 35 s 3H | 32 31 t 2H J 104 | 30 30 s 3H | 22 21 tt 2H J 71 104 | 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=C1c2cccc(Br)c2CN1CCc1ccc2ncccc2n1
ir: 1 1 1 1 3 2 1 3 4 17 6 1 2 1 3 5 7 2 12 2 2 1 1 2 4 5 16 56 20 8 11 23 3 1 2 3 8 14 45 64 33 5 4 3 3 2 3 10 25 17 4 2 3 7 14 45 22 8 4 2 2 6 8 25 9 5 6 5 2 0 1 1 1 1 1 1 1 1 1 1 2 4 17 8 9 2 4 11 17 19 9 9 4 4 8 16 8 9 8 5 3 2 3 2 10 4 2 5 2 4 7 10 1 2 3 6 3 2 3 7 13 18 1 8 9 29 13 4 1 3 3 8 26 4 9 8 5 2 15 25 46 50 18 3 4 8 4 30 9 31 12 5 57 5 3 13 15 12 11 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 2 3 3 7 4 3 4 2 3 3 3 5 9 24 25 100 51 36 22 10 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 88 dd 1H J 22 46 | 86 85 d 1H J 80 | 82 81 dd 1H J 22 73 | 79 78 dd 1H J 14 82 | 78 77 dd 1H J 45 74 | 76 76 dd 1H J 14 82 | 74 73 t 1H J 82 | 72 72 dt 1H J 9 79 | 43 43 s 2H | 38 38 t 2H J 58 | 30 30 td 2H J 9 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nnc(Cc2ccc(O)cc2)o1
ir: 6 5 8 7 12 6 22 9 6 7 3 11 6 2 4 2 3 3 4 2 3 3 1 2 1 2 3 4 2 2 2 1 1 1 1 1 2 3 1 2 2 1 1 1 1 1 1 3 4 2 3 3 6 3 3 5 3 4 2 1 1 0 1 1 0 0 0 1 0 4 1 1 0 1 1 2 3 9 7 13 49 8 3 0 2 1 2 1 19 6 1 1 2 1 1 1 0 0 5 2 1 0 0 0 1 1 2 0 0 0 0 1 2 1 0 0 1 1 1 2 4 8 1 2 2 1 3 1 2 1 1 1 1 1 1 4 3 3 1 2 3 20 3 1 0 2 4 6 8 11 10 19 27 44 20 11 4 6 1 1 1 1 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 1 1 1 2 1 2 1 2 1 2 2 1 2 1 1 1 2 2 3 2 3 4 21 5 2 1 2 1 5 6 52 46 2 2 1 1 1 1 1 1 34 20 3 2 1 1 0 1 1 2 5 11 49 100 15 6 1 3 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 s 1H | 71 71 dt 2H J 9 85 | 68 67 m 2H | 64 64 s 2H | 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.
Clc1ccc2cnc(NC3CCCNC3)nc2c1
ir: 3 3 6 3 6 5 13 15 5 4 6 5 3 3 4 2 3 2 8 10 5 3 4 9 6 6 2 16 46 36 3 4 5 5 3 4 4 3 3 2 4 3 1 5 5 8 17 29 7 3 6 25 12 5 8 2 4 3 1 2 2 2 3 1 6 3 3 14 17 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 7 3 1 4 5 2 1 1 1 1 1 1 2 2 2 1 2 6 3 11 9 5 3 9 10 16 14 10 6 3 3 4 3 2 7 5 7 10 5 4 10 8 5 5 2 3 2 2 4 3 28 10 34 8 3 21 62 5 3 28 23 11 5 5 19 12 4 2 1 2 1 1 1 0 1 2 22 8 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 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 2 3 2 1 8 5 2 6 8 10 5 2 2 1 1 1 1 1 1 2 1 1 2 4 3 3 11 22 17 26 6 9 14 47 100 44 5 4 2 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 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 92 91 d 1H J 18 | 82 81 dd 1H J 20 92 | 80 80 d 1H J 22 | 75 75 dd 1H J 22 91 | 57 57 d 1H J 70 | 40 39 dtt 1H J 37 55 72 | 32 31 ddd 1H J 37 47 128 | 30 27 m 4H | 20 19 ddt 1H J 56 82 139 | 19 18 m 1H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(C3CCCCC3)cc1)C2
ir: 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 2 2 6 9 3 4 2 1 2 3 2 4 1 5 3 5 9 4 4 8 38 17 3 2 2 1 2 3 1 2 5 5 1 3 14 2 10 2 5 3 3 6 8 10 0 3 2 2 1 1 1 1 1 2 10 2 1 1 1 1 2 1 2 5 2 1 1 2 2 4 2 3 5 1 2 1 2 1 1 7 1 2 4 1 1 1 1 2 1 2 4 3 3 2 3 1 1 4 1 2 3 1 5 2 14 5 5 8 8 12 10 29 13 26 2 4 2 1 2 32 6 9 6 3 4 8 8 6 40 4 1 1 1 2 1 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 1 1 2 2 1 1 1 1 4 2 2 3 6 4 11 18 13 5 10 1 3 2 1 1 1 1 2 1 7 14 100 7 4 3 1 2 5 4 50 5 9 6 4 4 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 t 1H J 37 | 77 76 m 2H | 73 72 m 4H | 72 72 m 2H | 71 70 td 1H J 16 74 | 65 64 dt 1H J 9 75 | 53 53 d 2H J 10 | 51 50 d 2H J 7 | 44 43 d 2H J 37 | 27 26 m 1H | 19 18 ddt 2H J 57 82 132 | 17 15 m 3H | 16 15 m 2H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H](C(=O)NC2CC(=O)OC2O)C1
ir: 1 3 3 3 3 3 2 3 0 4 3 3 2 5 4 2 2 7 3 10 8 8 16 9 17 11 5 11 15 10 6 8 7 4 9 4 7 73 23 10 10 9 7 5 4 3 3 29 7 3 2 1 3 4 1 2 2 3 3 2 3 1 2 3 2 3 2 7 3 6 9 4 2 4 3 2 2 1 4 3 3 2 1 5 4 16 4 1 1 2 2 3 2 3 3 5 16 10 19 7 21 13 16 12 12 11 5 20 8 10 6 4 6 9 20 8 4 7 4 5 6 8 11 5 6 9 30 15 35 17 1 4 4 2 18 3 2 5 3 3 1 9 29 8 28 42 30 50 9 2 3 2 2 1 4 2 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 3 3 4 4 4 8 3 8 17 15 13 37 11 8 36 100 3 10 7 2 2 2 2 1 2 1 1 2 3 3 2 1 4 12 53 17 22 19 3 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 78 77 m 3H | 75 75 m 1H | 75 74 m 2H | 74 73 d 1H J 86 | 57 56 dd 1H J 29 37 | 51 50 d 1H J 31 | 48 48 ddd 1H J 24 31 58 | 45 44 dt 1H J 59 86 | 43 43 dtd 1H J 36 55 92 | 40 40 dd 1H J 31 117 | 39 38 tddd 1H J 24 35 61 70 | 38 37 m 2H | 35 35 dd 1H J 62 108 | 29 28 dd 1H J 56 166 | 26 26 dd 1H J 56 166 | 21 21 s 2H | 21 20 dtd 1H J 59 87 139 | 19 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2C=O)c1
ir: 10 8 6 7 9 15 12 8 5 3 0 3 4 3 1 4 6 4 3 4 5 7 2 3 4 7 4 11 5 6 11 14 15 4 5 6 9 4 3 12 8 2 2 8 13 16 22 16 13 11 4 6 13 4 68 61 16 2 5 13 13 11 21 9 6 2 8 8 19 7 8 7 5 10 8 8 4 4 6 4 2 2 5 5 6 7 10 6 7 15 8 15 17 5 6 5 2 8 100 32 20 56 20 7 2 4 5 17 42 9 12 5 6 68 17 7 6 7 10 11 23 11 8 3 3 7 13 61 29 15 18 6 5 5 3 4 3 5 7 16 29 13 13 19 41 27 8 5 19 10 6 4 8 26 19 15 9 27 13 2 15 12 16 10 2 5 3 0 2 3 2 0 2 4 2 0 2 4 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 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 2 4 3 2 5 6 4 2 3 6 4 5 3 6 4 5 5 18 38 11 15 89 69 7 12 9 5 3 4 4 3 3 3 3 2 1 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 83 d 1H J 22 | 79 78 m 1H | 73 73 t 1H J 79 | 73 72 d 1H J 73 | 71 71 m 1H | 70 69 ddd 1H J 12 22 81 | 68 68 tt 1H J 9 20 | 42 41 q 2H J 66 | 36 36 t 2H J 9 | 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.
CCCn1cc(-n2c(C)c(Sc3cccc(C(=O)OCC)n3)c3ccc(Cl)cc32)cn1
ir: 42 10 13 7 1 9 13 9 5 8 12 12 11 8 7 4 3 4 10 3 1 3 4 1 0 3 4 1 1 8 4 1 1 4 8 1 1 4 3 0 1 4 4 2 3 7 11 100 18 5 4 1 14 23 7 34 7 5 4 3 3 4 6 2 5 5 7 10 27 8 7 6 5 4 5 1 3 3 3 22 6 4 3 1 12 25 1 8 7 20 11 7 22 4 2 2 3 3 1 2 4 6 9 2 7 3 0 3 6 4 2 14 16 9 7 8 53 8 8 8 13 5 4 6 6 12 40 5 13 10 8 15 7 6 7 5 6 5 8 6 7 70 5 8 4 7 27 71 6 1 37 11 6 7 20 8 5 0 15 6 3 1 3 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 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 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 8 4 3 3 4 3 2 3 4 3 3 4 5 5 9 31 21 17 36 31 30 26 9 9 8 4 2 3 4 2 2 4 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 79 dd 1H J 11 75 | 79 79 d 1H J 80 | 77 77 s 1H | 77 76 dd 1H J 68 75 | 76 75 d 1H J 22 | 74 73 dd 1H J 12 69 | 73 73 q 1H J 7 | 73 72 dd 1H J 22 79 | 44 43 q 2H J 64 | 40 39 td 2H J 9 42 | 25 24 s 2H | 19 18 m 2H | 14 13 t 3H J 64 | 10 10 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=N)N
ir: 4 3 2 3 2 5 4 6 8 8 29 21 12 10 6 4 4 3 4 1 1 2 2 1 1 2 1 1 1 1 2 2 1 2 2 1 4 2 1 1 2 2 2 1 2 2 3 4 5 4 4 1 2 6 33 8 10 2 3 11 5 2 3 3 2 19 12 7 5 4 2 1 2 4 5 3 3 2 1 1 1 2 2 9 8 3 2 12 3 2 2 1 2 3 2 3 3 12 34 12 6 13 3 3 4 5 1 1 2 2 2 5 5 3 35 14 3 2 3 12 4 1 1 4 4 2 6 4 3 4 2 2 4 7 6 4 4 1 1 2 7 4 1 2 2 1 3 5 13 22 2 2 3 2 2 2 2 0 1 2 1 2 4 2 2 0 2 5 12 10 100 6 5 5 4 3 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 3 2 1 2 1 1 1 3 2 4 3 5 12 38 15 8 6 3 14 7 3 4 2 2 3 2 4 9 60 39 28 6 2 2 1 2 1 2 2 2 10 4 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 78 | 73 73 dq 1H J 9 20 | 71 70 dt 2H J 8 84 | 70 69 m 2H | 69 69 dd 1H J 21 78 | 64 64 s 1H | 51 50 s 2H | 37 37 t 2H J 56 | 29 28 tt 2H J 8 56 | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCc1ccc(OC[C@@H]2CO2)cc1
ir: 1 1 1 2 2 2 2 3 3 4 3 2 4 3 4 7 5 1 2 4 11 3 2 0 0 1 1 0 0 0 1 4 2 10 12 28 31 6 5 7 2 2 1 1 2 4 1 1 3 0 2 5 5 12 42 22 42 2 4 3 1 2 5 10 2 4 34 23 15 45 2 1 2 3 1 5 3 4 6 2 2 1 2 2 2 0 1 13 10 4 4 2 2 1 1 2 5 8 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 0 0 1 1 2 2 5 13 4 2 2 3 7 9 2 3 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 6 3 17 89 7 5 6 6 22 2 1 2 2 2 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 1 0 0 1 1 0 1 2 3 2 3 5 8 16 6 8 9 19 11 100 47 36 5 8 4 3 2 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dt 2H J 9 85 | 69 68 m 2H | 42 42 dd 1H J 40 117 | 40 39 dd 1H J 40 117 | 36 35 t 2H J 59 | 34 33 qd 1H J 26 39 | 33 32 s 2H | 30 30 dd 1H J 37 77 | 28 28 tt 2H J 9 59 | 26 26 dd 1H J 27 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1CC(=O)N2C(CCC2C(=O)O)C1
ir: 0 9 15 8 1 20 26 26 15 17 16 16 9 16 30 13 16 17 30 56 74 75 58 9 20 15 25 10 4 13 13 5 5 12 11 2 4 13 10 2 5 14 11 1 7 13 10 0 7 21 12 15 9 16 11 1 13 14 7 3 10 17 7 0 8 14 7 0 10 13 6 2 10 16 6 8 23 37 22 55 13 12 10 12 14 18 8 7 11 13 4 6 14 11 6 19 16 10 3 7 12 10 9 10 15 11 1 6 13 9 2 10 16 13 9 12 19 12 4 10 15 9 7 11 16 10 18 14 15 12 6 12 15 6 4 11 23 14 16 21 15 9 22 32 17 4 6 11 11 32 53 23 17 3 5 12 8 2 5 12 8 1 6 12 7 0 6 13 7 0 6 13 6 0 7 13 6 1 7 12 6 1 8 12 5 2 8 11 5 2 9 11 4 3 9 10 4 3 9 10 3 4 10 9 3 4 10 9 2 5 11 8 2 5 11 8 2 5 12 8 1 6 12 7 1 6 12 7 0 7 12 7 2 8 13 6 1 8 12 5 2 8 11 5 2 8 10 5 3 9 10 4 3 9 10 4 4 9 9 4 4 10 9 3 5 11 9 3 5 11 9 2 6 11 10 4 7 13 9 5 11 17 10 8 10 17 7 2 7 12 6 2 7 12 7 11 100 28 90 4 8 11 5 3 9 10 4 4 9 10 4 4 9 9 4 4 9 9 4 4 10 8 3 5 10 8 3 5 10 8 3 6 11 7 2 6 11 7 2 6 11 7 2 7 11 6 2 7 11 6 2 7 10 6 3 8 10 5 3 8 10 5 4 9 9 5 4 8 9 4 4 9 9 4 4 9 8 4 5 9 8 3 5 10 8 3 5 10 7 3 6 10 7 3 6 10 7 2 6 11; 1HNMR: 45 45 t 1H J 57 | 43 42 m 2H | 39 38 tt 1H J 38 51 | 37 37 s 2H | 37 36 dd 1H J 38 110 | 34 34 dd 1H J 38 110 | 23 22 ddt 1H J 53 70 124 | 22 21 ddt 1H J 51 71 123 | 21 20 ddt 1H J 55 71 125 | 19 18 ddt 1H J 52 70 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(CCc2cccc(F)c2)c1
ir: 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 2 1 0 1 1 0 0 1 1 0 1 2 11 6 1 0 0 1 1 0 0 1 1 1 1 1 1 1 3 19 5 2 1 0 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 7 11 2 1 0 1 1 1 0 2 2 1 1 1 1 1 0 1 1 0 0 18 1 2 1 1 1 1 1 0 1 3 2 1 1 1 2 1 1 0 0 1 1 1 2 1 1 0 1 0 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 10 7 4 0 1 1 1 1 1 1 1 1 10 3 1 6 8 2 2 1 1 4 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 1 1 2 3 4 13 100 7 9 2 1 1 2 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 td 2H J 50 77 | 71 69 m 6H | 29 29 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)cc(P(C2=CC=CC(N)N2C(=O)C(C)(C)C)c2cc(C)cc(C)c2)c1
ir: 4 3 4 7 3 3 4 2 2 4 3 2 4 4 3 3 3 3 9 10 2 3 4 7 7 3 4 2 4 23 3 9 6 28 4 4 4 4 39 12 4 0 4 63 6 6 4 3 6 5 3 1 8 6 9 29 17 48 17 7 9 73 42 34 11 5 15 13 13 14 7 4 13 13 10 4 4 4 5 13 18 8 3 21 4 3 3 4 5 4 20 14 11 30 13 6 6 4 5 2 4 6 7 3 3 3 2 2 4 5 2 4 5 4 4 4 6 4 2 7 17 11 16 6 6 7 14 11 23 16 5 20 24 39 27 9 5 5 3 5 3 5 3 13 11 22 21 7 5 2 2 3 3 3 3 3 3 2 10 25 3 3 2 3 2 2 2 2 2 2 3 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 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 3 3 2 2 2 2 2 2 2 3 2 2 4 3 3 3 3 3 2 3 4 4 5 6 10 7 7 16 20 100 45 22 14 9 7 4 5 5 3 5 4 4 7 7 8 30 20 11 4 4 4 7 13 52 15 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 70 70 dd 4H J 12 22 | 69 68 m 2H | 69 69 s 1H | 62 61 ddd 1H J 18 71 90 | 56 55 ddd 1H J 13 27 88 | 54 54 ddddd 1H J 9 17 29 38 47 | 48 48 d 2H J 48 | 22 22 s 12H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCC1CCC(Oc2ccc(F)cc2)CC1
ir: 1 2 3 3 2 2 1 2 2 2 4 6 5 2 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 4 4 2 2 1 1 1 2 1 1 1 1 3 1 1 1 1 2 1 1 2 3 2 5 33 99 39 49 16 6 4 2 1 1 1 1 1 2 4 2 6 4 6 9 7 3 6 3 7 8 4 1 1 1 1 1 2 5 18 3 1 1 2 2 3 2 2 2 2 2 5 1 3 5 2 1 4 5 3 2 3 2 3 6 5 4 7 5 7 4 1 1 2 2 2 5 4 3 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 0 2 100 6 6 6 20 23 3 3 1 1 3 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 8 2 4 2 3 3 4 3 3 11 24 9 14 44 20 2 2 2 3 5 1 1 1 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 70 69 ddt 2H J 14 84 98 | 69 69 m 2H | 37 36 p 1H J 49 | 32 32 d 2H J 46 | 21 20 ddt 2H J 51 77 137 | 19 18 m 2H | 17 16 m 3H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
ir: 2 2 0 1 2 1 1 2 5 3 3 13 11 2 0 3 5 6 4 7 21 10 100 24 4 8 10 1 1 9 8 3 4 6 4 1 1 4 11 0 4 13 26 3 2 2 2 0 1 2 2 0 1 2 1 0 2 2 2 1 2 3 1 1 2 3 2 2 4 3 10 2 2 3 6 6 8 24 77 12 7 4 10 3 3 2 2 4 8 10 2 2 2 1 1 3 3 5 1 2 1 1 1 1 1 1 1 1 1 9 1 1 2 1 1 2 6 4 2 2 3 3 2 9 7 24 1 4 3 1 1 1 2 1 2 19 4 3 2 4 12 3 2 4 6 4 7 5 2 2 8 18 10 2 1 3 2 0 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 4 3 5 10 26 16 3 3 2 2 2 1 1 2 7 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; 1HNMR: 82 81 dd 1H J 14 82 | 76 75 dd 1H J 15 63 | 74 73 m 7H | 73 73 ddd 1H J 15 71 85 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)OCCCSCCCSC
ir: 11 7 5 6 6 2 2 3 7 8 6 5 9 3 8 2 1 0 0 1 1 0 1 1 2 1 0 1 1 0 1 3 2 3 1 5 14 34 11 32 6 3 5 2 2 2 2 1 1 1 0 1 1 0 1 1 1 3 2 1 1 0 1 1 1 3 4 4 2 5 8 11 7 7 2 1 1 1 0 0 1 2 1 5 8 67 100 29 21 18 8 5 2 1 1 2 1 1 1 1 2 4 4 3 14 16 7 3 3 14 19 21 6 8 13 10 4 11 10 20 5 5 5 3 2 2 1 2 0 4 14 16 5 7 4 1 1 1 1 0 1 2 5 12 11 63 44 15 10 5 2 4 3 1 2 2 1 1 5 15 9 5 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 3 4 11 6 5 3 3 6 4 6 15 6 46 22 27 11 12 14 4 5 4 4 14 7 5 2 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 62 61 dd 1H J 110 170 | 61 60 dd 1H J 31 170 | 59 58 dd 1H J 33 108 | 42 41 t 2H J 61 | 27 26 t 2H J 69 | 26 26 m 4H | 21 21 s 2H | 19 18 m 2H | 18 17 p 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C(=O)OC)c1ccccc1COc1cccc(C(C)=O)c1
ir: 8 3 6 9 30 15 10 7 2 2 3 2 2 2 1 2 2 2 1 2 4 9 2 2 2 1 3 4 2 4 3 5 7 5 2 1 3 3 1 1 3 18 23 12 2 1 11 13 11 10 4 2 2 2 2 1 1 1 1 2 2 2 1 1 1 0 9 23 14 10 5 5 5 11 8 5 1 2 3 1 2 3 3 1 1 1 1 3 2 20 4 2 2 4 4 13 13 4 2 2 3 11 3 1 2 2 3 1 1 1 2 2 1 1 1 1 0 2 2 2 2 5 6 7 11 8 13 6 34 23 6 17 34 13 3 1 1 14 33 9 10 3 8 6 100 5 3 4 11 6 2 2 2 2 1 1 1 1 1 2 2 1 2 2 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 1 0 1 1 0 0 1 0 1 0 0 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 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 0 1 1 1 0 1 1 1 2 1 1 3 2 1 2 1 1 2 2 5 5 8 6 22 96 62 23 9 4 2 0 2 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 dd 1H J 16 73 | 77 76 ddd 1H J 9 21 79 | 75 74 ddt 1H J 9 18 78 | 74 73 m 5H | 70 70 ddd 1H J 9 17 81 | 54 53 d 2H J 9 | 40 39 s 3H | 38 38 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2c1c(-c1ccc(O)cc1)cn2-c1ccc(OCCn2ccnc2)cc1
ir: 2 2 2 3 1 1 1 1 1 2 1 2 1 1 1 4 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 10 4 5 3 1 2 1 2 5 19 2 3 1 2 1 3 1 2 3 5 14 16 4 2 2 1 1 1 1 1 2 7 1 1 1 3 2 2 2 1 1 2 1 1 3 3 2 5 4 1 1 1 1 5 3 2 2 3 2 3 2 1 1 2 2 2 0 1 1 1 39 2 4 2 5 2 1 2 4 2 1 1 1 1 2 1 1 1 1 2 4 1 4 1 2 1 1 1 1 1 6 1 1 1 1 1 0 1 1 2 3 1 2 2 7 2 2 5 8 4 4 21 4 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 11 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 4 10 3 7 28 24 100 13 4 2 2 1 5 1 1 1 0 1 1 1 1 1 2 4 1 1 1 1 0 1 1 1 1 1 1 7 1 1 1 0 0 1 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 s 1H | 77 76 tt 1H J 9 17 | 74 74 s 1H | 74 73 m 2H | 73 73 m 3H | 71 71 ddt 1H J 9 18 37 | 70 70 dd 1H J 18 38 | 70 69 m 2H | 69 69 m 2H | 68 68 s 2H | 44 43 t 2H J 42 | 41 41 tt 2H J 9 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.