Datasets:
DeerEyeRain
/
sel_dataset

Dataset card Data Studio Files Community
1
Output
stringlengths
5
127
Input
stringlengths
850
1.64k
Instruction
stringclasses
1 value
CC(C)c1cc(C(C)(C)c2cc(CO)c(O)c(C(C)C)c2)cc(CO)c1O
ir: 1 6 4 4 9 3 5 6 3 5 0 6 8 8 12 2 7 7 3 4 7 3 3 7 17 5 9 4 3 2 1 1 1 1 2 1 1 1 2 8 6 2 2 1 1 1 1 1 1 1 1 1 3 5 2 3 2 1 1 2 2 2 10 2 2 1 2 12 7 10 5 2 3 1 2 4 2 3 5 9 9 5 5 6 3 25 67 36 47 48 20 5 14 5 3 1 3 16 7 3 3 2 5 17 13 5 2 2 2 2 3 2 3 3 2 1 1 1 1 1 1 2 3 1 2 2 10 1 1 1 2 3 2 2 4 1 1 0 1 2 7 6 1 1 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 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 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 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 1 1 0 1 1 0 1 2 1 1 1 3 2 1 2 1 2 0 2 2 1 1 2 1 6 4 9 4 9 8 12 10 3 4 25 98 57 31 100 17 6 3 1 0 1 2 1 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dd 2H J 10 21 | 70 70 dt 2H J 9 19 | 65 65 s 2H | 46 46 dd 4H J 9 55 | 45 44 m 2H | 32 31 heptd 2H J 9 68 | 16 16 s 5H | 12 12 d 12H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(-c2ccc3c(c2)cc(C(=O)O)n3-c2ccc(C(F)(F)F)cc2)cc1
ir: 0 1 0 1 0 1 1 0 0 1 2 1 1 1 6 3 5 1 1 1 1 1 7 15 10 9 1 2 2 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 4 1 1 1 2 5 9 2 1 1 4 1 2 1 0 1 1 1 1 1 1 2 1 1 0 0 1 1 4 9 3 1 1 0 0 1 1 4 2 1 1 1 1 0 0 0 2 6 1 3 2 4 1 0 0 1 0 0 0 0 0 1 2 11 4 4 3 1 1 1 1 1 1 1 1 2 1 11 1 2 1 1 0 1 1 0 1 1 3 1 1 1 2 13 2 2 1 1 1 15 5 2 4 1 2 1 1 0 0 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 1 10 23 10 4 5 1 2 2 0 0 19 100 5 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 t 1H J 23 | 81 81 d 1H J 71 | 78 77 m 3H | 76 76 d 1H J 21 | 76 75 m 2H | 75 74 m 2H | 74 73 m 2H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C2C=c3c(cnn3CC(C)O)=C2CC=C1
ir: 3 10 8 13 7 14 10 27 26 11 28 13 14 20 24 21 14 6 11 9 6 6 6 2 2 5 5 2 3 5 3 8 6 6 11 51 14 9 4 2 2 5 3 4 6 7 9 32 22 12 4 1 2 4 4 6 3 7 2 11 12 9 9 3 6 4 3 2 7 18 9 4 7 10 11 4 12 12 3 7 4 5 2 2 4 8 3 4 12 100 23 36 72 35 32 7 4 10 3 15 5 4 2 2 15 12 3 5 5 3 0 3 5 5 1 8 8 16 9 18 9 24 7 5 7 4 12 8 19 3 3 12 15 11 6 4 3 2 2 3 37 11 4 4 6 4 2 3 3 1 2 4 3 1 2 4 8 8 5 5 4 8 6 3 3 1 2 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 1 2 3 2 1 1 3 3 1 2 6 5 3 2 6 6 6 3 3 4 2 5 5 7 13 27 2 22 8 4 30 9 5 5 16 44 17 4 5 3 1 3 4 2 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 90 90 s 1H | 70 70 s 1H | 66 65 dt 1H J 9 86 | 60 59 dt 1H J 53 86 | 43 42 dd 1H J 46 135 | 41 39 m 2H | 38 38 s 2H | 33 32 dd 2H J 9 53 | 31 30 d 1H J 53 | 13 13 d 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Cc1nc2cc(Br)cnc2n1CC1CC1
ir: 11 4 0 3 7 8 11 9 8 4 5 6 6 10 14 32 5 6 10 21 12 40 8 6 8 4 1 5 6 5 3 35 8 6 4 15 29 6 16 88 100 19 14 14 8 3 8 18 5 1 4 4 5 0 6 6 3 2 4 5 8 23 31 21 5 0 6 36 56 3 4 2 2 1 3 4 2 3 2 4 1 2 3 6 6 9 15 9 6 10 9 5 16 21 24 4 2 2 5 4 5 8 13 24 13 9 7 3 1 2 3 2 7 2 3 3 4 5 35 37 16 13 49 23 44 25 5 7 9 7 18 7 1 5 4 5 7 7 11 27 32 17 71 17 4 8 13 19 25 25 15 22 8 25 82 31 4 5 4 0 2 3 2 0 1 2 2 0 1 2 1 0 1 2 1 1 2 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 3 3 3 6 4 3 4 11 8 6 4 5 8 12 28 18 34 40 23 93 47 11 15 17 11 3 4 3 2 1 2 3 1 3 5 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 87 87 d 1H J 16 | 86 86 d 1H J 16 | 41 41 d 2H J 62 | 25 25 s 2H | 13 12 p 1H J 58 | 10 9 s 8H | 6 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
ir: 1 1 1 1 1 1 4 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 1 2 3 4 1 1 0 0 1 0 1 1 0 1 1 3 0 0 1 1 2 1 1 2 3 3 10 4 2 1 1 1 1 1 0 1 1 2 1 2 1 2 5 22 4 2 3 15 42 5 2 6 3 2 3 6 2 1 1 0 3 7 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 2 1 1 1 1 0 1 1 1 1 1 1 2 1 2 0 0 0 0 0 0 1 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 0 2 1 6 5 2 3 5 7 3 1 0 1 1 13 100 79 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 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; 1HNMR: 70 70 s 2H | 42 42 s 1H | 39 38 ddd 1H J 50 62 114 | 36 35 ddd 1H J 49 60 117 | 30 29 m 1H | 26 26 t 1H J 61 | 14 14 s 17H | 13 13 d 4H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1=C(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)CCC1
ir: 27 12 17 9 41 14 13 11 7 2 9 30 6 10 12 7 7 7 18 2 9 9 11 11 6 6 3 4 5 5 9 6 10 7 13 10 23 49 21 28 29 50 38 21 14 4 11 6 8 13 7 2 5 7 29 9 6 6 10 8 24 21 5 20 4 3 2 3 13 11 14 4 22 19 27 29 40 7 4 6 11 5 6 5 11 15 13 8 10 11 15 8 7 7 5 12 11 16 3 4 4 12 8 72 23 22 7 23 58 33 19 10 15 57 1 17 13 45 25 12 7 7 5 7 11 14 23 13 33 10 4 6 8 5 11 37 16 27 20 13 32 34 11 28 16 23 19 10 15 1 1 2 2 4 27 4 5 3 13 19 3 1 18 7 3 1 1 2 2 4 2 2 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 0 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 1 1 2 1 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 7 5 12 15 15 12 14 8 7 15 17 8 100 29 36 70 76 32 17 13 4 2 9 18 100 14 4 2 2 2 3 2 2 2 2 3 3 5 6 6 7 18 40 18 26 12 6 12 7 3 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 t 1H J 22 | 81 80 m 2H | 80 79 dt 1H J 11 83 | 79 79 dd 1H J 21 90 | 76 75 m 2H | 74 74 s 1H | 29 29 t 2H J 62 | 28 28 t 2H J 62 | 16 15 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C#N)CC(=O)N1
ir: 21 22 23 23 22 25 23 22 22 24 27 39 28 25 24 24 22 22 23 22 22 22 23 23 26 100 32 23 23 26 41 47 30 26 24 22 23 23 23 21 22 23 22 21 22 23 22 26 22 23 22 21 22 23 22 21 22 23 22 21 22 23 23 22 23 25 23 21 23 26 22 21 23 23 27 26 23 23 22 22 23 23 22 23 27 28 27 22 23 23 22 22 23 22 21 22 23 23 21 22 23 24 23 22 23 22 21 22 23 23 23 28 23 22 23 24 26 33 21 22 23 22 21 22 23 22 24 25 27 22 22 22 22 22 24 23 23 22 22 22 22 22 22 22 22 22 22 22 24 25 24 22 22 27 24 0 33 27 22 26 23 20 22 24 23 20 22 24 22 20 22 24 22 20 22 23 22 21 22 23 22 21 23 26 22 21 22 23 22 21 22 23 22 21 23 23 21 21 23 23 21 21 23 23 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 22 23 23 22 22 23 22 22 22 23 22 21 22 23 23 22 22 23 22 23 23 23 23 22 23 23 24 24 27 26 29 22 23 24 22 21 22 23 22 22 22 23 22 22 22 23 22 22 23 23 22 22 23 29 44 68 47 24 24 24 26 27 23 22 23 22 22 22 23 23 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 22 22 23 22 22 22 22 22 22 22 22 22 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23 22 21 22 23; 1HNMR: 91 91 s 1H | 33 33 s 2H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CC1
ir: 5 4 5 3 6 5 10 7 6 6 9 4 10 15 7 12 6 7 5 9 4 5 9 5 8 7 4 3 3 3 4 3 2 4 6 12 12 3 16 99 62 38 8 5 13 6 3 3 3 3 2 1 2 1 1 2 5 2 4 1 2 6 8 31 26 56 45 25 6 9 4 6 4 2 3 3 2 0 1 2 1 1 2 3 5 11 20 7 1 3 5 3 6 2 7 13 6 3 3 5 3 2 5 2 3 2 3 1 1 2 8 6 1 4 3 6 12 14 7 19 29 92 46 11 21 10 4 2 4 12 8 2 2 5 6 5 8 8 33 5 3 6 7 100 13 7 8 18 17 11 17 6 8 6 12 5 13 4 2 21 4 8 13 23 7 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 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 5 2 1 1 1 1 1 1 3 3 3 9 8 29 13 20 22 18 23 16 14 17 10 10 2 2 2 1 1 2 1 1 2 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 76 76 d 1H J 7 | 48 47 p 1H J 39 | 44 43 q 2H J 64 | 26 26 s 2H | 22 21 m 1H | 18 17 m 2H | 15 15 m 2H | 14 14 t 3H J 64 | 13 12 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=P12N3CCNCCN1CCN2CC3
ir: 3 3 9 4 4 8 8 7 4 3 5 12 6 6 8 6 3 4 5 6 5 4 5 3 3 5 11 26 33 33 100 35 15 29 9 9 8 7 7 4 7 6 3 3 7 12 16 3 5 5 9 2 3 6 7 4 12 12 2 1 6 3 6 3 4 8 3 3 3 5 3 12 33 42 39 21 18 9 25 36 17 51 1 2 8 55 27 11 0 23 23 4 8 7 6 13 32 34 8 6 15 22 21 15 10 14 7 5 2 9 29 21 20 13 10 9 12 94 64 18 15 11 7 6 4 3 3 6 5 7 4 4 6 3 7 11 33 13 3 3 3 2 2 3 4 2 2 3 3 1 2 3 3 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 2 3 3 4 3 3 3 4 3 4 3 3 8 6 6 2 1 2 3 2 1 3 3 3 2 4 7 5 4 4 5 3 5 6 6 30 51 74 14 7 5 3 3 2 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 34 33 p 1H J 42 | 33 32 m 1H | 32 32 s 7H | 31 31 t 4H J 63 | 29 28 td 4H J 42 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1CCN(C(=O)C2CC2C(=O)O)CC1
ir: 3 6 3 5 2 2 3 2 2 2 2 3 7 4 21 5 12 15 23 12 81 35 6 5 6 3 6 2 1 1 1 1 1 1 1 1 1 1 2 9 3 4 2 1 2 2 2 3 7 8 2 1 2 1 0 0 2 2 2 1 2 1 1 0 1 1 3 1 2 2 1 1 2 5 3 7 13 14 27 8 20 10 6 6 20 5 7 14 2 5 2 3 16 2 1 1 1 2 1 1 2 2 3 4 2 2 10 4 3 2 3 3 2 2 0 4 1 6 2 3 1 1 1 1 1 1 1 1 1 1 5 2 1 2 3 3 4 5 8 2 7 3 4 4 4 14 19 7 28 12 7 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 1 1 1 1 0 2 1 3 8 4 21 3 2 1 1 1 2 1 1 1 12 100 9 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 35 34 m 4H | 27 26 t 4H J 51 | 25 24 t 2H J 58 | 24 23 dt 1H J 71 101 | 22 21 dt 1H J 73 101 | 16 16 q 1H J 75 | 15 14 m 2H | 14 13 m 1H | 13 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(F)c2cccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)n2)nn1
ir: 1 2 2 4 2 4 2 3 1 3 7 10 3 6 6 6 4 1 0 4 6 3 2 32 26 2 2 1 2 4 3 3 2 2 3 4 3 4 2 2 3 3 3 1 2 4 8 7 21 25 42 69 72 19 9 6 3 5 6 11 3 4 11 5 7 16 3 2 3 5 4 3 2 2 4 7 19 6 6 11 9 12 19 16 4 2 3 1 3 1 1 5 4 5 4 6 6 5 5 12 2 7 5 4 1 2 1 1 1 2 1 2 9 6 16 8 4 1 4 10 20 8 2 1 1 2 3 4 5 4 8 5 1 1 1 1 1 1 4 7 37 2 3 5 7 3 5 26 2 3 5 5 2 12 7 16 18 15 55 50 40 3 2 3 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 5 5 2 2 4 7 7 8 12 16 26 26 22 5 5 5 13 66 16 7 5 1 1 1 2 3 57 68 2 1 5 10 14 15 54 39 12 5 6 34 100 25 1 1 2 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; 1HNMR: 100 99 s 1H | 83 83 d 1H J 28 | 80 79 ddt 1H J 9 20 85 | 77 77 dd 1H J 51 75 | 77 76 dd 1H J 75 84 | 76 75 d 1H J 20 | 72 71 dd 1H J 21 75 | 71 70 dd 1H J 22 121 | 69 69 s 2H | 68 68 dd 1H J 13 75 | 60 59 d 0H J 9 | 59 58 d 0H J 9 | 43 42 s 1H | 40 39 s 3H | 16 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1N1CCC(NCCNC(=O)OC(C)(C)C)CC1
ir: 9 9 13 7 17 9 5 4 3 7 4 6 4 13 19 6 5 5 4 3 5 3 2 3 5 4 8 10 40 68 49 36 10 6 8 3 8 14 12 4 15 14 35 25 5 6 15 27 9 6 3 3 3 9 4 3 5 9 9 5 5 4 5 1 3 11 13 14 6 10 20 11 9 15 16 4 4 3 2 6 6 3 2 3 3 4 6 12 7 3 2 1 2 3 3 6 4 8 18 9 3 3 6 13 7 7 16 8 8 11 42 100 14 10 10 7 24 19 17 12 23 13 19 13 5 13 7 18 15 12 25 20 12 8 16 48 10 7 5 16 9 9 13 88 61 30 21 26 16 53 71 16 6 3 2 6 4 2 3 5 20 2 2 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 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 2 2 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 6 3 2 5 4 3 3 3 4 4 4 5 7 24 16 17 16 45 31 8 3 1 3 4 2 1 3 5 3 3 3 3 2 3 9 6 42 52 28 17 33 40 34 34 15 3 5 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 77 77 dd 1H J 15 82 | 74 74 m 1H | 73 72 td 1H J 14 81 | 70 69 dd 1H J 14 74 | 55 55 t 1H J 54 | 39 38 s 2H | 35 34 ddd 2H J 58 85 128 | 33 32 m 5H | 30 29 dp 1H J 40 71 | 29 28 m 3H | 20 19 dddd 2H J 40 57 84 125 | 16 15 dddd 2H J 40 57 84 126 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)C12CC3CC(O)(C1)CC(C(=O)Cl)(C3)C2
ir: 2 4 4 3 3 4 3 1 1 2 2 2 3 2 3 2 5 2 3 5 9 8 7 5 5 4 3 2 1 1 2 1 0 1 1 0 1 1 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 3 3 1 2 11 1 0 1 4 1 1 1 1 1 1 1 2 3 8 4 5 8 7 26 18 5 4 4 3 3 6 11 3 5 2 3 3 5 7 8 9 5 9 13 8 12 5 6 5 17 17 20 14 15 3 1 2 2 2 6 2 1 1 0 1 1 1 1 1 2 5 7 9 4 9 9 6 14 24 7 3 3 5 4 2 3 6 8 2 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 4 2 5 8 11 11 23 7 6 5 4 6 4 9 22 9 6 7 5 5 4 7 5 13 57 100 35 7 4 4 3 3 4 4 3 2 2 3 5 7 3 2 4 4 3 4 4 8 4 4 3 3 3 2 1 1 0 1 1 1 1 0 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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; 1HNMR: 36 36 s 1H | 24 23 d 1H J 143 | 23 22 d 2H J 143 | 22 20 m 6H | 19 18 dd 2H J 47 134 | 18 17 d 2H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(C)(C)O)cc1
ir: 6 4 2 4 6 3 3 3 5 4 2 4 5 6 13 6 5 5 5 3 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 5 4 21 4 1 1 1 1 2 1 1 2 5 2 1 1 4 7 5 18 32 6 5 3 19 8 6 7 12 2 2 1 5 8 3 3 2 4 5 7 8 26 57 38 33 3 4 3 1 2 4 7 13 12 12 2 4 3 2 2 2 6 9 24 5 3 11 24 40 5 9 3 1 2 3 2 1 1 2 2 1 3 8 3 3 5 2 2 2 3 4 10 6 9 24 3 1 1 1 1 1 2 1 1 1 1 1 2 3 3 2 22 63 12 7 3 7 4 2 2 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 5 3 2 3 2 3 6 3 2 2 2 3 3 8 17 7 48 75 13 8 4 2 3 4 43 100 4 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 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 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: 71 71 dp 2H J 9 72 | 69 68 m 2H | 38 38 s 3H | 27 27 d 2H J 9 | 26 25 s 1H | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCCN(CCCN1C(=O)c2ccccc2C1=O)C1CCCc2ccccc21
ir: 1 2 2 2 2 2 5 3 2 2 2 3 2 2 2 2 8 1 0 1 2 1 2 2 3 1 4 1 1 1 1 1 2 4 1 1 2 3 16 5 67 6 17 6 5 1 6 3 3 1 2 2 1 1 2 1 6 7 5 12 4 1 3 2 2 1 3 2 4 2 6 1 1 2 2 2 1 0 1 1 1 4 4 13 16 1 3 8 26 7 2 6 3 6 2 2 3 3 2 3 4 2 3 1 3 2 2 1 0 2 9 6 11 3 6 4 3 5 1 13 26 10 8 5 1 2 3 1 1 1 3 2 45 31 11 9 2 12 20 3 1 2 3 3 2 1 1 0 0 5 1 1 1 11 79 8 8 0 1 9 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 3 3 6 3 3 1 2 1 3 3 3 14 6 23 100 39 6 3 3 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 72 71 m 3H | 71 71 ddt 1H J 9 20 78 | 39 39 t 2H J 61 | 37 37 m 1H | 29 25 m 6H | 24 24 m 2H | 21 17 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(N)c23)C1
ir: 1 1 1 1 0 1 2 3 3 1 4 2 2 7 4 4 2 2 3 3 2 2 1 1 1 4 4 13 17 4 10 7 1 1 1 1 3 3 1 1 1 2 20 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 3 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 1 5 2 1 2 1 0 1 1 0 0 0 1 1 3 1 4 1 2 2 3 5 2 1 1 0 2 0 1 1 2 1 1 1 5 2 0 21 0 1 1 1 0 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 0 0 1 2 2 1 1 1 1 1 2 6 59 13 9 18 3 4 1 1 1 3 3 18 1 14 19 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 4 1 1 1 0 1 2 3 1 0 0 0 0 1 1 0 1 1 0 0 1 4 15 2 1 1 5 15 20 8 8 5 3 2 100 5 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 64 | 81 81 s 1H | 65 64 d 1H J 62 | 48 47 d 1H J 88 | 48 47 s 2H | 40 39 m 1H | 38 37 dd 1H J 20 117 | 36 35 m 2H | 35 34 ddd 1H J 34 59 118 | 20 19 dddd 1H J 35 62 88 134 | 19 17 m 2H | 16 15 ddt 1H J 62 88 134 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(COCCO)CCCN(CC2COc3ccccc3O2)C1
ir: 16 9 6 4 14 4 2 5 4 4 1 5 2 1 2 1 4 5 1 3 1 3 2 3 9 3 2 2 1 5 8 2 1 2 1 1 2 2 6 4 5 8 38 11 3 0 1 3 2 6 7 4 11 11 10 4 4 1 4 5 4 1 2 3 2 3 2 5 9 10 17 20 14 9 23 10 3 1 2 3 3 9 17 12 15 43 43 24 12 13 23 5 16 6 7 7 1 5 5 5 10 7 4 7 3 3 4 4 2 1 2 2 4 3 3 1 0 2 3 3 1 2 1 2 5 2 5 4 1 2 2 0 0 2 2 4 2 64 26 2 2 5 20 12 2 0 0 2 3 21 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 2 1 1 4 2 2 4 3 2 3 7 11 14 10 5 25 22 13 3 6 3 3 12 100 22 9 2 1 2 3 3 1 2 1 1 1 0 1 1 1 1 1 1 1 1 0 2 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 m 4H | 47 47 p 1H J 40 | 44 44 dd 1H J 44 117 | 42 41 dd 1H J 44 117 | 38 37 dt 2H J 42 67 | 37 35 m 3H | 33 32 m 3H | 31 30 dd 1H J 38 120 | 28 27 d 1H J 121 | 27 25 m 2H | 25 25 d 1H J 121 | 17 16 m 1H | 16 15 m 2H | 14 13 ddd 1H J 60 80 129 | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ncccc1-c1noc(-c2ccc(-c3ccsc3)cc2)n1
ir: 3 5 5 4 12 6 7 11 4 3 6 2 2 9 9 3 3 14 4 1 1 3 4 2 1 5 4 2 2 4 4 4 4 5 3 2 2 7 7 5 5 16 23 16 12 37 14 5 6 36 8 9 4 9 13 70 48 9 5 2 9 100 13 5 5 14 4 6 4 16 7 11 3 6 3 2 4 3 3 1 3 4 1 4 5 5 3 2 6 40 29 5 8 4 4 11 12 3 6 6 22 7 4 7 28 38 14 3 3 4 1 3 5 3 1 8 10 4 3 3 6 3 5 12 24 33 3 12 10 2 2 4 4 2 2 5 4 8 15 7 12 13 10 9 7 8 8 18 99 4 11 13 22 9 5 4 3 1 2 3 2 1 2 3 2 1 2 4 6 0 2 15 2 1 2 3 2 1 2 4 5 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 6 4 2 2 3 3 3 3 6 5 3 6 9 9 61 30 60 49 55 17 29 11 9 4 5 3 1 3 4 2 1 3 4 2 1 3 5 3 1 4 6 6 14 27 8 4 3 4 4 2 3 5 4 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 82 82 dd 1H J 22 44 | 82 81 dd 1H J 20 97 | 80 80 m 2H | 77 76 m 2H | 76 76 m 2H | 76 75 t 1H J 17 | 75 74 dd 1H J 44 97 | 74 74 dd 1H J 16 53 | 30 30 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC1Cc1ccc(Cl)cc1
ir: 2 1 2 2 2 1 3 18 20 2 1 14 9 19 17 2 5 5 4 10 8 2 1 1 1 1 1 1 1 3 2 1 2 4 1 1 1 1 1 1 1 1 1 2 17 21 5 2 1 2 5 3 2 3 20 23 18 32 4 1 1 2 4 9 4 8 1 1 1 6 2 1 1 3 1 0 1 1 0 1 1 1 1 1 1 4 1 1 1 1 22 4 1 0 64 6 3 2 6 1 2 6 11 4 22 7 2 1 2 3 3 18 9 26 4 2 5 4 1 3 6 14 8 20 16 7 2 2 3 1 2 3 2 3 6 1 1 1 1 1 1 4 8 70 100 15 6 18 3 1 1 2 9 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 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 2 1 3 2 4 16 5 4 7 7 5 5 8 50 14 25 76 7 1 7 2 1 1 3 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H | 72 71 dt 2H J 10 81 | 30 29 ddt 1H J 10 64 134 | 28 26 m 2H | 24 23 ddd 1H J 52 66 147 | 23 22 m 1H | 20 19 ddt 1H J 53 71 126 | 18 17 dtt 1H J 55 74 128 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCc1cccc(NC(=O)NCCc2ccccc2)c1
ir: 3 6 5 3 4 1 3 2 3 3 1 2 3 2 1 1 1 1 1 2 3 4 3 5 7 10 19 10 19 9 6 10 11 8 3 2 5 7 16 39 36 35 25 8 12 8 9 13 17 4 2 1 1 1 1 1 1 1 1 0 1 2 1 1 2 4 2 7 6 3 1 2 3 2 1 1 1 1 4 4 2 1 1 1 0 0 1 1 7 4 5 1 1 1 1 1 1 3 1 5 0 1 2 3 3 8 4 1 1 1 2 3 3 8 5 2 1 1 2 4 15 8 6 4 1 3 7 4 6 10 9 4 2 2 5 8 2 2 2 3 6 14 12 10 39 14 8 7 33 100 33 18 7 10 2 6 6 3 2 2 1 2 12 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 2 1 1 2 2 3 2 11 11 7 12 22 14 3 4 4 2 0 1 2 2 1 3 1 1 0 1 1 0 1 2 2 6 4 14 46 52 12 5 7 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 74 74 ddd 1H J 11 21 80 | 73 73 m 3H | 73 72 m 4H | 70 69 ddt 1H J 11 22 77 | 64 64 t 1H J 45 | 52 51 t 1H J 49 | 34 34 q 2H J 52 | 32 31 tt 2H J 9 56 | 28 28 tt 2H J 9 53 | 26 25 td 2H J 45 56 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)C(COS(C)(=O)=O)(c2ccc(Cl)cc2Cl)O1
ir: 17 6 4 8 5 10 25 16 17 4 4 2 3 7 1 3 3 1 1 2 13 17 4 1 1 1 1 1 1 2 6 1 2 2 1 2 1 21 1 1 2 3 1 0 1 1 1 2 8 12 8 3 3 3 36 10 3 17 28 10 4 3 6 2 2 1 3 12 4 9 39 4 9 99 15 7 2 3 4 2 3 4 0 34 6 5 14 10 49 12 9 5 3 1 2 2 4 18 22 61 48 83 60 26 8 5 10 4 2 1 2 1 0 3 29 3 0 4 10 22 13 15 36 24 9 9 29 29 17 17 3 2 2 1 1 1 2 2 1 1 3 17 4 4 16 5 2 1 2 6 27 3 6 11 1 1 2 1 1 1 1 3 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 1 1 1 11 9 5 3 1 1 0 3 2 2 3 4 4 9 100 47 17 25 72 23 4 5 3 2 1 4 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 d 1H J 20 | 73 73 m 2H | 49 49 d 1H J 130 | 47 46 d 1H J 128 | 31 31 s 3H | 17 16 s 3H | 16 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(F)cc1Cl
ir: 2 2 5 1 1 2 12 3 2 4 8 4 1 3 2 2 7 6 8 2 2 6 3 2 2 4 3 8 6 22 57 34 19 8 5 6 6 11 8 2 3 3 4 1 2 6 5 8 36 6 26 8 2 2 2 0 2 2 2 0 2 2 1 2 2 3 3 11 13 6 3 2 3 5 2 1 2 2 1 1 1 4 1 1 2 2 2 2 3 2 1 1 2 2 1 2 3 8 1 3 4 4 1 2 2 2 1 1 2 1 0 4 2 4 1 2 2 2 4 20 2 2 1 2 2 1 0 2 3 10 11 9 7 20 16 29 64 52 11 38 15 6 2 8 5 38 12 27 10 5 8 19 4 1 1 2 1 0 1 3 2 1 2 2 1 0 10 45 2 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 2 2 0 1 2 1 1 1 2 1 0 1 3 3 2 4 6 15 25 8 3 5 9 2 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 8 7 26 100 23 25 11 7 5 8 8 4 3 2 1 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 dd 1H J 18 70 | 80 79 dd 1H J 47 121 | 75 74 m 2H | 43 43 q 2H J 71 | 30 29 dpd 1H J 18 50 68 | 13 12 t 3H J 71 | 10 9 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.
COc1ccc(CN2CCc3n[nH]c4nc(SC)nc2c34)cc1
ir: 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 6 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 4 1 1 4 4 6 100 10 4 3 2 0 1 2 2 0 2 2 2 1 2 6 5 2 2 2 2 2 2 3 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 8 4 2 1 1 1 1 1 6 2 3 4 3 3 2 2 2 3 3 4 1 1 1 2 2 2 1 2 3 3 2 2 3 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 11 0 2 1 1 0 2 2 1 9 5 2 1 3 2 3 60 2 3 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 2 4 8 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 8 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 72 72 dt 2H J 8 85 | 69 68 m 2H | 47 47 d 2H J 9 | 41 40 m 2H | 38 38 s 3H | 29 28 m 2H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CCC1O
ir: 7 3 7 4 5 4 14 9 2 3 4 3 4 16 5 5 10 12 8 8 5 6 7 100 9 7 7 3 2 2 4 2 3 2 2 6 5 2 2 2 2 2 2 3 5 2 2 2 2 4 2 2 2 2 7 6 4 8 4 2 1 4 3 1 6 10 4 4 6 9 5 10 5 4 2 3 13 11 0 37 29 18 5 4 16 5 50 14 20 18 12 6 3 10 4 6 24 4 2 4 12 4 3 2 2 2 2 2 3 4 4 3 1 2 2 3 4 10 3 2 2 2 2 3 6 3 4 2 2 3 2 2 3 2 1 2 1 1 1 1 2 1 2 2 3 4 19 6 16 3 2 1 1 2 2 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 1 2 2 3 2 2 2 2 4 2 3 3 6 7 9 13 6 3 3 2 2 2 7 23 12 33 2 3 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 82 82 d 1H J 22 | 78 78 dd 1H J 20 97 | 76 76 d 1H J 97 | 38 37 m 2H | 35 34 m 2H | 34 33 m 4H | 32 31 dd 1H J 44 126 | 30 30 d 1H J 48 | 21 20 dddd 1H J 49 73 101 122 | 19 18 dddd 1H J 50 75 101 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CO)cc1Nc1ccnc(Cl)n1
ir: 4 3 2 3 5 5 9 11 11 4 2 4 3 2 1 3 4 4 1 3 4 2 3 7 12 7 4 6 5 2 3 5 6 6 19 27 30 5 2 4 3 0 2 10 11 8 5 5 3 1 2 4 2 4 7 4 2 0 2 4 2 1 3 4 2 1 4 4 2 3 13 12 6 3 4 3 2 1 2 3 1 1 3 5 3 4 15 18 8 6 12 9 3 2 3 5 3 6 3 2 1 2 4 2 1 7 8 3 2 2 4 2 1 5 11 2 1 2 4 3 1 3 3 3 3 2 3 2 2 3 3 3 6 15 12 8 12 3 3 2 1 9 8 1 1 3 4 4 16 13 10 3 4 6 5 2 2 3 41 45 5 5 3 13 15 4 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 3 2 1 3 3 1 2 4 4 2 3 5 2 4 5 6 4 2 3 6 4 2 8 17 18 8 6 12 5 9 51 100 64 7 7 4 3 2 4 3 3 1 3 5 6 9 9 25 22 12 5 5 5 4 3 3 2 2 3 2 2 1 3 2 1 1 3 2 1 2 2 2 1 1 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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; 1HNMR: 81 81 d 1H J 40 | 79 79 s 1H | 71 70 m 1H | 70 70 m 2H | 67 67 d 1H J 40 | 46 46 dt 2H J 8 55 | 25 25 t 1H J 56 | 23 23 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/CN1CC1C
ir: 8 5 15 3 11 20 12 11 14 22 18 4 6 5 3 7 2 3 3 1 0 2 2 1 0 2 2 0 1 2 3 1 1 2 3 2 8 35 7 3 2 3 2 1 3 4 2 0 1 2 2 0 2 3 2 2 5 3 2 1 2 4 4 0 4 4 7 5 4 3 3 3 7 4 8 21 8 5 17 4 5 13 18 34 13 7 3 2 3 4 12 5 3 3 1 2 3 2 2 4 13 5 0 1 3 3 3 1 3 2 43 18 8 4 6 4 6 5 6 6 4 4 4 9 15 13 5 7 8 13 2 3 2 1 1 2 2 1 1 2 3 2 11 37 53 17 7 4 2 1 1 2 2 1 1 2 2 2 2 2 1 1 7 25 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 5 1 2 3 2 2 3 3 2 2 7 7 3 15 24 100 7 4 2 5 3 2 3 2 1 1 2 2 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 67 66 dt 1H J 40 157 | 58 57 dt 1H J 13 156 | 42 41 q 2H J 61 | 35 34 ddd 1H J 14 40 137 | 33 33 ddd 1H J 13 40 137 | 27 26 dd 1H J 40 93 | 24 24 dd 1H J 40 93 | 21 20 qt 1H J 40 52 | 13 12 t 3H J 61 | 11 11 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2CCn2c1nnc2-c1ccccc1
ir: 13 5 2 6 11 5 1 17 11 5 3 8 12 4 4 8 20 12 10 8 18 14 3 10 9 3 3 8 14 6 5 11 22 9 9 11 8 2 4 11 12 26 66 37 7 2 6 12 7 1 5 10 5 2 5 14 7 1 6 11 9 0 6 11 5 1 7 12 15 6 7 9 4 2 8 11 7 6 9 9 3 2 8 9 4 2 8 8 2 6 11 12 3 4 14 6 2 4 12 10 4 10 11 7 1 4 10 8 3 5 10 6 2 18 12 9 7 7 17 13 4 8 10 14 2 8 20 5 2 18 13 5 4 23 34 17 50 19 34 5 12 8 8 4 4 15 21 3 23 14 9 2 8 12 7 3 4 9 6 2 6 10 6 1 4 10 5 1 5 10 5 0 5 10 5 1 5 10 5 1 6 9 4 1 6 9 4 2 6 8 3 2 7 8 3 2 7 8 3 3 7 7 3 3 8 7 2 3 8 6 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 6 9 4 1 6 8 4 2 6 8 4 2 6 8 3 2 7 7 3 3 7 7 3 3 7 7 2 3 7 7 2 4 8 6 2 4 8 7 3 6 9 7 3 5 9 6 3 6 14 8 16 48 100 16 13 13 9 6 2 7 9 5 4 6 8 4 3 6 8 4 3 7 8 4 3 7 7 3 3 7 7 3 3 7 7 3 4 8 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 3 3 7 7 3 3 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 5 2; 1HNMR: 81 80 dd 1H J 15 78 | 80 79 m 2H | 76 75 td 1H J 18 74 | 75 74 m 3H | 74 74 m 1H | 74 73 ddt 1H J 10 20 66 | 44 44 t 2H J 81 | 33 32 td 2H J 9 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CN)Nc1ccccc1
ir: 6 10 9 9 22 18 0 7 7 3 2 3 4 3 18 9 13 12 11 20 27 10 5 3 4 4 4 4 3 9 6 3 6 4 5 5 7 9 11 28 22 31 41 20 12 7 10 5 8 10 4 4 3 5 7 8 12 28 25 15 3 7 8 11 6 10 6 4 16 9 16 18 14 33 28 81 31 19 18 28 17 17 9 3 3 3 3 3 3 5 5 5 9 8 2 3 5 3 2 4 3 3 2 7 7 25 20 10 3 3 2 2 3 3 2 3 4 4 3 9 9 8 11 11 11 11 10 12 16 29 20 31 37 32 38 26 19 13 12 14 7 7 8 9 13 50 49 7 7 3 4 7 8 9 3 6 2 2 2 2 27 21 3 4 3 3 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 2 1 1 2 2 2 2 1 1 1 2 1 2 3 2 4 2 3 3 2 2 3 3 2 4 6 6 4 11 20 16 16 21 15 7 11 2 3 5 3 2 8 9 22 42 37 25 19 12 16 15 32 100 65 84 30 30 10 10 5 4 5 3 3 3 2 2 4 3 2 1 2 2 1 2 2 2 2 1 2 2 1 2 2 1 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 2H | 68 68 tt 1H J 12 70 | 67 66 m 2H | 38 38 s 1H | 29 28 t 2H J 68 | 16 15 t 2H J 68 | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(c1cc(Br)cc(Br)c1)C(F)(F)F
ir: 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 4 1 1 1 1 24 1 0 0 1 1 0 8 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 2 1 1 0 0 1 1 2 16 4 3 3 5 7 15 6 1 1 0 0 0 1 0 0 0 1 0 3 10 2 6 6 2 1 1 1 18 2 0 1 4 13 100 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 4 8 24 17 2 6 4 5 13 4 3 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 2 3 10 13 10 1 3 8 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 3 3 3 1 25 12 15 15 9 6 7 6 13 7 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; 1HNMR: 76 76 t 1H J 22 | 75 75 d 2H J 22 | 59 59 p 1H J 21 | 58 58 p 1H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCc1ccc(Br)cc1
ir: 1 2 6 2 3 2 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 12 1 2 12 1 1 1 1 1 1 1 1 1 10 1 1 1 2 1 1 19 0 2 3 2 1 1 1 1 1 1 3 1 2 100 1 2 2 10 2 1 1 1 1 1 4 3 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 7 5 2 2 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 8 2 3 4 12 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H | 74 73 dq 2H J 10 81 | 51 51 d 2H J 9 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(OC1C=CC(n2cc(F)c(=O)[nH]c2=O)C1)P(=O)(OC)OC
ir: 4 10 5 8 4 3 3 2 1 5 8 6 4 5 4 4 4 5 3 2 3 3 3 4 2 8 12 15 5 7 6 2 2 3 9 9 3 4 3 2 2 3 3 4 12 9 11 8 8 6 15 7 7 49 52 100 16 6 3 3 2 4 9 12 8 11 5 2 12 15 11 4 5 10 48 22 11 21 36 8 50 4 6 2 4 4 2 1 3 2 2 2 3 5 4 3 5 6 3 2 3 2 1 3 3 2 2 2 4 4 4 5 8 19 4 3 6 6 2 5 3 4 2 4 6 6 7 7 12 13 5 12 4 12 2 5 4 5 5 5 4 4 4 7 14 2 3 3 3 4 6 26 18 14 95 11 5 0 2 3 2 1 3 6 38 8 3 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 0 2 3 2 1 2 2 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 3 2 1 1 2 3 1 1 3 3 1 2 4 2 2 3 6 5 6 17 8 3 2 12 10 27 4 4 7 12 7 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 1 47 21 21 4 10 9 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 78 78 dd 1H J 18 75 | 65 64 m 1H | 60 60 m 1H | 49 48 m 3H | 42 42 d 1H J 115 | 38 38 s 3H | 37 37 d 6H J 108 | 23 22 m 1H | 18 17 dddt 1H J 9 46 74 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(C=NS(=O)C(C)(C)C)cn1
ir: 34 16 1 19 31 25 6 38 100 41 74 52 45 24 30 25 29 13 7 20 24 11 6 20 23 9 7 27 23 7 7 23 22 6 15 25 24 5 10 25 18 4 10 26 19 9 27 48 23 1 13 32 46 41 44 37 20 0 16 29 16 10 19 30 16 32 35 58 16 25 38 38 30 11 18 25 10 6 19 22 9 7 20 22 9 9 22 23 14 13 28 24 14 47 43 20 6 11 23 18 5 12 25 18 9 27 35 42 21 23 31 19 10 14 29 15 4 17 31 17 13 18 30 20 8 29 34 24 18 25 45 40 16 22 22 14 10 24 43 16 6 21 22 8 8 21 20 7 9 22 19 7 17 48 25 5 10 24 17 6 11 24 16 3 12 25 15 2 13 26 14 2 14 26 13 3 15 25 13 4 16 24 12 5 17 23 11 5 18 22 10 6 18 21 9 7 19 20 8 8 20 19 8 9 21 19 7 10 21 18 6 11 22 17 5 11 23 16 5 12 24 15 4 13 24 15 3 14 25 14 3 15 24 13 4 15 23 12 5 16 23 12 6 17 22 11 7 18 21 10 7 18 20 10 8 19 19 9 9 20 19 8 10 20 18 7 11 21 19 8 13 24 18 7 14 25 18 7 14 28 19 11 19 40 26 11 16 29 18 7 17 26 14 6 16 22 12 6 16 22 11 7 17 21 11 8 18 20 10 8 18 19 9 9 19 19 9 10 20 18 8 10 20 17 7 11 21 16 7 12 21 16 6 12 22 15 6 13 23 14 5 14 23 14 5 14 22 13 6 15 22 13 7 16 21 12 7 16 20 11 8 17 20 11 9 17 19 10 9 18 18 10 10 19 18 9 11 19 17 8 11 20 16 8 12 20 16 7 12 21 15 7 13 21 15 6 14 22 14 6; 1HNMR: 90 89 s 1H | 88 88 s 1H | 84 83 d 1H J 8 | 26 26 d 3H J 8 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1cccc(Cl)c1Cl
ir: 5 3 8 5 6 8 7 4 4 6 4 2 2 2 4 2 1 4 6 4 2 3 4 2 3 9 8 22 4 3 5 7 7 7 7 6 11 8 23 50 97 28 41 19 8 17 5 3 10 10 7 1 2 4 5 1 3 8 3 2 3 5 2 1 3 4 4 23 4 4 3 0 3 4 2 1 3 3 1 1 4 4 2 1 3 4 4 4 8 25 4 11 12 6 11 4 6 24 6 6 13 9 24 29 10 9 6 32 5 4 6 4 7 5 7 4 5 6 5 5 10 6 8 8 17 7 8 30 17 9 4 10 7 3 2 4 6 10 69 12 7 6 26 13 6 41 49 100 16 10 18 15 14 11 5 3 4 4 14 2 31 3 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 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 0 2 3 2 0 2 3 2 1 2 3 1 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 3 3 1 2 3 2 2 2 3 4 5 5 6 3 2 3 5 4 7 10 5 15 37 16 13 5 2 4 3 3 1 3 3 2 1 2 3 3 4 4 8 7 3 5 10 9 43 19 14 11 7 5 4 2 2 4 2 2 3 3 2 1 1 3 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 85 85 d 2H J 7 | 77 76 ddd 2H J 15 81 136 | 74 74 m 2H | 38 37 dt 1H J 60 132 | 35 34 dt 1H J 59 132 | 32 31 m 1H | 22 18 m 7H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCC(Oc2ccncc2)CC1
ir: 7 4 2 6 9 6 8 8 13 8 1 9 10 7 2 6 7 3 1 5 6 4 3 6 5 4 2 7 8 14 8 52 65 10 8 7 5 2 4 7 6 2 10 9 16 17 7 7 5 0 3 6 7 1 4 8 6 4 8 6 4 1 5 20 17 6 5 8 28 47 100 72 18 21 26 22 17 8 14 6 3 1 5 6 1 2 4 4 1 2 5 8 8 3 6 6 2 2 6 4 2 4 13 11 7 12 11 13 4 17 21 66 7 13 11 6 3 8 9 8 5 14 13 10 4 6 13 5 5 7 8 3 2 5 5 2 1 4 5 1 2 4 4 3 3 8 18 11 19 23 13 9 3 4 5 1 5 10 16 45 76 17 10 4 3 6 3 0 3 6 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 3 2 4 5 3 1 4 5 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 2 3 6 4 4 5 10 7 5 8 9 8 4 8 26 22 13 21 59 72 28 17 8 3 2 4 5 3 1 4 4 2 2 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 82 82 m 2H | 68 67 m 2H | 45 44 p 1H J 49 | 20 19 m 2H | 17 16 m 4H | 16 15 m 1H | 15 14 m 2H | 13 12 qd 2H J 53 73 | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2cc(N)ccc2C1=O
ir: 24 16 9 11 4 3 2 4 6 5 2 4 2 2 3 7 2 2 2 2 1 1 2 1 2 2 2 2 2 1 2 2 1 1 2 2 13 3 4 18 5 0 1 2 2 1 1 2 2 1 1 2 5 1 7 9 2 1 2 5 2 0 1 3 1 1 22 19 4 1 1 2 2 1 1 3 2 0 3 13 3 1 1 2 1 1 3 3 1 1 7 2 1 2 4 2 1 1 1 1 1 1 2 1 1 2 4 2 6 2 2 1 1 1 2 1 1 3 7 3 2 4 1 2 1 1 1 1 1 7 3 2 1 1 2 1 7 2 1 1 1 1 1 1 1 1 1 2 14 2 6 5 5 16 13 54 23 12 4 2 1 3 9 38 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 2 1 3 7 7 2 4 10 8 2 3 2 1 2 1 2 1 0 1 1 1 1 1 2 2 62 34 4 2 1 1 1 1 1 1 1 3 100 42 2 2 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 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 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 d 1H J 84 | 68 67 dt 1H J 8 19 | 66 66 dd 1H J 21 85 | 36 36 s 2H | 33 32 h 1H J 62 | 30 29 ddd 1H J 8 60 141 | 27 26 ddd 1H J 8 59 141 | 12 11 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CC)c1ccc(C#N)c(Cl)c1
ir: 3 8 5 5 5 3 3 4 4 5 4 4 4 5 5 4 1 7 4 8 4 6 4 3 4 6 9 9 7 5 9 6 5 9 6 4 2 7 7 46 3 29 7 5 5 3 3 4 4 3 4 4 7 13 39 52 32 36 11 7 5 4 4 21 32 31 46 34 19 13 14 14 15 6 6 27 7 4 5 3 4 3 7 6 48 24 48 17 3 8 7 7 6 5 18 9 7 12 10 10 5 7 4 3 3 3 2 3 10 4 5 4 4 4 11 4 10 12 12 10 5 7 4 6 4 6 3 5 4 3 3 11 10 13 3 5 5 8 16 54 0 2 2 2 2 3 2 6 5 33 43 13 13 15 13 5 3 3 4 6 6 32 100 14 9 4 2 2 2 3 2 1 2 3 3 2 3 4 2 1 2 18 92 19 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 4 5 4 5 7 4 6 4 4 6 8 7 19 19 42 23 57 79 49 25 11 6 2 3 5 3 2 3 4 2 3 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 75 75 d 1H J 79 | 70 69 d 1H J 21 | 68 67 dd 1H J 22 79 | 34 34 q 2H J 73 | 33 32 t 2H J 61 | 16 15 qt 2H J 61 77 | 12 11 t 3H J 74 | 10 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cc2c[nH]c(=O)[nH]c2=O)cc1OC
ir: 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 7 2 1 1 1 1 0 1 1 1 1 1 2 1 2 3 7 2 2 1 2 1 1 4 4 3 13 30 100 59 20 6 1 3 1 0 1 2 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 3 3 4 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 2 5 2 1 1 1 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 4 4 1 1 2 1 1 1 1 1 3 1 1 1 1 1 3 9 5 2 3 4 13 5 1 1 1 1 1 2 2 5 38 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 8 7 5 3 3 4 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 3 13 16 25 11 3 5 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dt 1H J 13 62 | 69 68 m 4H | 39 38 d 7H J 22 | 37 36 t 2H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C
ir: 10 7 6 4 10 11 8 4 6 6 11 18 1 3 3 3 2 2 3 3 4 2 3 2 2 2 2 2 2 7 15 2 2 2 2 1 2 2 3 2 2 2 3 3 4 7 8 3 3 4 4 5 2 4 4 3 58 29 14 4 3 2 6 2 3 4 11 13 8 5 8 2 5 5 8 77 12 43 34 8 7 3 3 2 2 2 2 2 2 7 8 3 2 3 4 6 6 4 3 3 3 3 5 8 11 6 4 5 11 9 7 4 3 6 7 15 5 4 6 5 3 3 7 7 2 6 6 7 4 9 15 20 61 32 28 48 9 4 2 2 2 2 2 9 3 4 3 2 2 4 11 100 4 0 1 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 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 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 3 3 5 3 3 3 3 2 7 8 6 9 25 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 6 21 49 17 10 4 3 3 3 33 15 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 45 44 ddt 1H J 16 55 73 | 42 41 m 2H | 38 37 dt 1H J 16 124 | 35 35 dd 1H J 31 124 | 34 34 ddtq 1H J 17 33 48 81 | 25 24 m 3H | 22 21 ddd 1H J 49 75 137 | 15 14 s 8H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)CN[C@H]3C(C)C)cc1
ir: 3 4 4 8 4 3 1 1 3 4 2 3 3 5 3 6 5 7 2 3 3 4 2 2 1 3 2 4 7 8 8 2 6 19 19 13 5 7 6 6 6 4 4 3 2 2 2 2 10 4 15 12 3 11 7 28 29 1 8 8 9 2 17 21 26 17 6 3 2 3 2 1 1 0 1 1 1 1 1 1 1 13 4 21 6 5 2 3 4 6 6 10 3 15 7 1 2 2 2 2 7 2 21 20 51 20 20 6 4 4 7 6 4 5 0 3 4 6 6 21 3 4 4 3 7 6 7 2 3 5 14 3 1 2 4 1 1 1 1 1 1 2 2 3 5 37 100 11 30 8 5 3 3 4 9 4 2 0 0 1 1 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 1 0 1 1 2 1 1 1 3 4 3 1 1 1 3 6 4 17 21 8 10 10 18 4 3 2 3 1 1 0 1 2 2 1 1 0 0 1 2 3 7 17 6 5 13 18 8 3 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 86 85 dt 1H J 9 17 | 84 84 d 1H J 16 | 78 77 m 2H | 76 75 dt 2H J 9 95 | 41 40 ddd 1H J 9 48 160 | 40 39 dddd 1H J 8 17 48 159 | 38 38 dddt 1H J 15 31 61 87 | 37 37 t 2H J 9 | 34 33 q 2H J 92 | 31 31 dt 1H J 47 64 | 21 20 heptd 1H J 57 71 | 13 12 t 3H J 92 | 10 10 dd 3H J 15 70 | 10 9 dd 3H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC1(C)NC(C)(C)CN(C(C)C)C1=O
ir: 1 4 9 4 4 7 14 9 4 3 4 2 2 2 3 1 3 4 5 3 4 7 7 12 7 3 3 3 4 18 9 24 20 100 51 8 10 8 4 3 2 4 6 3 3 4 3 1 2 2 1 3 1 3 1 1 1 2 4 2 1 2 5 1 2 4 1 3 2 2 1 1 2 4 7 1 4 2 1 3 7 2 1 1 2 2 2 5 2 2 3 2 4 4 3 12 8 21 14 13 8 5 4 3 4 3 5 8 4 6 4 6 3 5 5 5 6 5 6 19 19 27 7 7 11 32 5 15 39 10 15 14 11 10 12 14 8 8 14 6 8 8 3 3 2 0 2 3 31 33 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 3 4 2 2 2 2 1 2 3 4 3 6 9 7 13 14 7 3 1 2 2 2 1 1 2 2 1 3 5 2 3 4 4 5 5 6 5 30 75 34 13 5 3 3 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 40 39 h 1H J 60 | 36 35 d 1H J 121 | 35 34 d 1H J 121 | 26 26 s 1H | 19 18 dd 1H J 63 132 | 18 17 hept 1H J 63 | 16 15 dd 1H J 64 132 | 14 14 s 3H | 13 13 s 3H | 13 12 s 3H | 12 11 dd 7H J 60 74 | 10 9 d 3H J 63 | 9 8 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)CCC(NC(=O)OC(C)(C)C)C(=O)O
ir: 10 9 7 6 6 5 5 5 6 7 4 6 6 7 15 13 9 10 13 6 15 47 4 12 12 7 4 8 10 9 8 23 40 17 18 11 7 7 7 5 4 4 4 4 6 5 4 5 4 4 4 6 5 5 8 7 4 5 8 6 6 6 6 6 5 3 5 5 12 12 7 6 4 4 5 5 4 16 23 25 13 8 7 5 4 5 5 5 4 4 5 5 3 4 5 7 6 5 8 8 4 4 5 5 4 5 7 8 10 15 17 9 5 5 6 7 5 10 32 29 15 16 6 5 9 5 6 5 7 7 6 10 8 6 6 4 3 5 6 7 5 6 26 21 13 26 12 7 7 25 28 5 4 5 4 3 4 5 4 4 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 5 5 4 4 5 5 4 4 5 4 4 5 6 5 4 4 8 5 3 4 7 6 5 11 22 33 5 5 6 4 2 4 7 4 0 6 19 20 100 3 2 5 5 4 3 4 4 4 5 5 6 10 34 22 8 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 67 66 d 1H J 73 | 43 43 dt 1H J 59 73 | 29 28 dt 1H J 96 141 | 28 27 dt 1H J 96 139 | 25 24 s 3H | 22 21 m 1H | 20 19 m 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCC=CCCCCCCCC=O
ir: 2 2 0 2 2 2 2 2 3 3 1 3 13 4 4 3 3 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 4 4 3 17 5 8 4 6 2 4 6 7 5 5 3 3 10 8 6 3 6 3 8 5 5 1 4 1 4 2 3 11 7 3 8 6 14 23 21 76 14 12 6 2 1 1 4 3 2 1 2 1 1 2 2 3 3 2 4 2 2 2 2 4 4 4 13 16 16 24 45 16 22 6 9 5 16 18 21 28 4 32 22 44 36 14 24 6 4 8 3 2 2 8 10 4 6 4 4 2 1 1 2 2 1 2 3 1 3 8 7 8 13 100 19 8 3 7 2 1 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 2 1 1 1 2 2 1 1 2 1 1 2 3 2 4 6 5 10 20 22 11 11 6 6 8 15 7 24 19 62 48 26 9 4 2 2 2 2 1 2 2 1 1 1 2 1 0 1 2 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 97 tt 1H J 10 54 | 54 53 m 2H | 25 24 td 2H J 55 87 | 20 19 tq 4H J 35 67 | 17 16 ttd 2H J 9 73 85 | 14 12 m 21H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(COc2ccc3ccccc3c2C=O)cc1
ir: 4 3 9 4 3 4 3 2 3 2 0 3 3 2 4 6 4 4 2 2 2 1 2 7 18 18 8 4 8 5 2 3 6 3 5 16 4 2 6 5 6 21 28 2 2 2 3 14 3 3 3 3 7 9 25 37 19 25 21 13 5 1 3 5 2 3 3 3 3 22 5 4 9 4 13 7 3 1 3 9 2 2 1 2 5 7 2 3 2 1 2 3 8 4 5 13 7 2 2 3 4 2 4 6 3 3 4 8 12 11 7 5 1 2 3 4 3 2 3 2 2 3 3 4 3 5 7 4 2 2 2 1 1 2 2 5 8 5 3 2 4 3 5 3 6 5 36 6 9 4 34 18 7 3 8 3 3 4 14 16 19 3 2 1 1 3 2 4 1 2 1 1 1 2 1 0 1 2 1 1 1 2 8 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 3 2 3 9 16 57 100 54 25 12 11 3 0 3 4 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 90 90 dd 1H J 11 77 | 82 82 d 1H J 85 | 79 79 dd 3H J 15 82 | 77 76 m 3H | 75 74 td 1H J 12 75 | 71 71 d 1H J 86 | 51 51 d 1H J 19 | 51 51 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)c1nc2c(s1)CCOc1ccccc1-2)c1ccccc1Cl
ir: 8 8 7 7 7 10 7 7 9 8 8 7 8 8 8 7 8 7 7 7 7 10 7 7 9 11 9 13 9 8 7 8 7 7 7 9 9 12 17 10 12 25 66 16 10 14 14 8 11 8 8 13 10 8 7 7 10 9 8 7 8 7 7 8 10 8 9 10 11 20 16 16 14 13 10 19 15 9 8 7 9 11 24 30 11 7 9 10 8 10 8 9 8 8 8 9 15 9 11 8 8 8 9 7 11 7 7 8 24 9 8 17 11 8 8 10 15 10 8 8 9 8 12 16 10 8 11 21 19 12 10 9 14 10 9 9 24 10 100 15 11 9 8 12 36 10 12 31 20 9 8 7 7 7 7 9 8 7 9 9 8 0 24 5 7 8 7 6 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 8 8 8 8 8 10 9 8 8 9 14 9 12 12 13 9 10 9 12 15 43 10 42 54 42 40 15 10 9 8 8 9 8 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 76 76 dd 1H J 14 84 | 75 74 dd 1H J 14 73 | 73 72 m 4H | 71 71 m 1H | 71 70 dd 1H J 12 78 | 44 44 t 2H J 62 | 36 35 s 2H | 32 31 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(-c2ccc3onc(NCC(C)(C)C)c3c2)c1
ir: 1 3 1 1 1 2 1 1 2 2 3 3 11 1 4 1 0 3 2 1 1 1 1 0 1 0 1 1 0 2 3 3 1 1 2 7 1 0 1 0 0 0 0 0 0 0 1 8 11 0 0 0 1 2 8 2 1 1 0 0 1 1 1 0 1 1 4 3 2 2 1 1 0 1 3 1 1 0 2 1 1 0 1 0 1 0 1 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 1 4 6 8 11 1 2 1 3 4 2 1 1 3 2 7 2 1 1 0 2 6 2 0 8 1 1 1 100 3 5 7 27 3 2 6 9 2 3 1 1 1 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 1 4 6 3 3 8 9 2 2 1 1 0 1 0 1 0 0 0 0 0 1 1 0 2 1 3 3 1 3 3 15 14 11 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 23 | 82 82 t 1H J 22 | 80 80 ddd 1H J 12 21 77 | 78 77 ddd 1H J 12 21 82 | 77 76 m 2H | 75 75 t 1H J 81 | 58 57 t 1H J 47 | 44 43 q 2H J 64 | 35 34 d 2H J 48 | 14 14 t 3H J 64 | 10 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSC1(SCC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
ir: 5 6 6 5 6 6 2 4 4 4 5 3 4 4 3 5 6 6 2 3 6 4 5 6 2 5 3 3 3 5 3 3 4 3 15 4 3 4 4 4 3 2 4 3 4 4 6 9 28 48 63 17 7 5 4 4 7 10 4 4 11 4 4 7 11 10 5 4 5 10 7 5 5 7 11 21 16 68 13 13 4 18 5 16 8 10 31 100 40 17 13 10 8 7 5 10 13 18 9 4 5 5 4 3 4 8 9 11 16 18 10 84 10 6 4 5 7 10 6 14 21 7 13 11 4 18 9 5 7 7 6 6 5 8 6 5 5 5 3 6 4 16 19 17 22 14 5 4 6 3 4 4 6 25 5 4 3 3 3 3 3 4 3 19 5 0 2 4 3 1 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 3 3 4 4 3 4 4 4 4 4 5 15 6 7 8 12 9 10 19 10 14 58 34 61 42 11 4 5 4 5 3 11 25 6 4 4 3 3 3 5 3 3 4 4 3 5 3 3 3 3 3 3 3 3 2 2 3 3 3 2 3 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 dd 1H J 38 110 | 63 62 d 1H J 110 | 61 61 s 1H | 44 43 m 1H | 28 27 dq 2H J 56 139 | 27 26 m 3H | 25 24 ddd 1H J 56 83 140 | 24 23 dd 1H J 35 55 | 23 22 m 1H | 22 21 dd 1H J 35 136 | 21 17 m 6H | 17 16 dddd 1H J 33 57 86 120 | 15 14 m 1H | 15 15 s 3H | 13 12 t 6H J 56 | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1C(=O)O
ir: 3 3 2 3 4 4 2 8 3 4 9 6 5 21 3 17 9 7 4 3 10 16 27 41 25 77 52 14 18 8 6 6 4 7 3 34 9 12 11 7 6 5 7 9 5 4 3 4 2 3 2 3 4 4 4 8 4 2 2 3 2 2 2 4 7 18 7 17 9 14 4 2 2 2 9 22 3 8 20 22 4 27 15 1 2 3 4 4 7 14 6 6 6 4 5 4 2 5 4 3 9 9 5 3 3 2 2 1 2 3 3 5 6 4 3 11 7 8 20 12 9 10 13 4 3 4 3 2 3 2 4 13 4 5 15 12 5 4 4 2 5 6 12 15 8 4 11 7 6 2 3 3 7 7 11 7 13 19 100 29 9 9 5 0 11 12 3 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 3 2 2 3 2 3 3 7 9 6 15 40 14 4 3 2 2 2 2 3 6 40 2 0 2 2 2 2 6 32 39 3 4 2 2 1 2 3 1 4 14 63 59 21 5 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 81 | 75 74 m 5H | 70 70 s 2H | 66 66 dd 1H J 22 81 | 64 64 d 1H J 21 | 36 36 m 4H | 34 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc2c(ccc3oc(C)nc32)c1
ir: 2 3 5 9 8 7 10 9 5 4 4 2 1 3 3 3 3 9 4 2 1 5 4 3 1 4 4 1 1 5 5 0 71 56 0 5 6 6 7 3 3 2 2 2 2 3 3 2 3 2 6 37 27 5 5 5 3 3 2 2 3 4 4 4 6 5 3 5 6 6 4 3 4 4 5 2 3 3 3 2 3 3 2 3 6 13 10 4 4 3 2 2 3 4 4 3 9 25 7 8 3 4 4 6 4 3 2 3 9 3 2 3 4 3 3 3 5 7 5 5 4 14 30 5 9 5 7 39 32 4 2 3 5 4 100 10 3 2 2 9 10 4 3 5 10 3 3 4 4 2 2 7 8 2 4 8 9 4 24 35 3 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 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 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 6 3 5 3 2 4 4 5 3 5 4 3 4 4 4 5 7 28 8 76 76 15 10 2 4 5 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 86 86 dd 1H J 11 19 | 79 79 dt 1H J 11 22 | 78 78 dd 1H J 22 84 | 75 75 d 1H J 84 | 26 26 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CC2(CC(C)(C)C1(O)C#Cc1ccccc1C(F)(F)F)OC(C)C(C)O2
ir: 1 5 4 5 2 3 3 1 3 9 7 3 7 2 7 3 1 2 2 2 1 3 4 15 1 2 3 1 1 1 2 2 1 6 3 1 1 2 2 0 3 26 100 7 5 3 7 5 3 3 2 1 1 1 1 2 6 2 2 2 3 2 3 2 9 15 15 6 6 6 5 13 27 18 5 15 19 9 9 14 11 8 5 4 4 3 9 5 32 10 4 16 45 4 9 10 14 4 34 63 19 41 9 6 12 11 16 11 7 6 11 2 4 2 2 3 7 5 4 3 32 9 13 8 3 1 1 3 12 7 5 4 2 2 6 5 6 37 2 1 1 1 11 2 1 1 1 1 5 13 2 2 1 0 1 1 2 32 2 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 4 2 2 2 2 1 6 5 3 3 3 6 5 15 21 17 44 51 20 5 4 4 8 10 8 79 13 5 4 3 4 2 2 3 5 2 3 2 2 2 3 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 76 76 m 2H | 76 75 ddd 1H J 13 57 105 | 73 73 td 1H J 14 57 | 57 56 h 1H J 9 | 38 37 m 2H | 28 28 s 1H | 22 22 d 2H J 10 | 20 19 d 3H J 11 | 12 12 m 7H | 12 12 s 3H | 12 11 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCN1CCC(N)(C#N)CC1
ir: 12 8 2 4 2 2 0 2 2 2 1 1 9 2 1 0 1 1 1 1 2 2 1 2 2 3 8 4 3 2 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 2 2 2 5 7 6 25 18 78 32 44 44 39 14 34 23 11 6 4 15 19 4 1 1 2 2 2 0 4 11 13 4 9 16 10 10 9 2 4 6 8 29 7 4 8 5 8 3 1 7 6 5 7 17 4 9 4 2 2 3 2 2 2 2 3 4 3 2 2 2 2 5 9 4 6 16 22 10 7 16 21 45 29 35 11 10 2 2 3 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 1 0 0 0 1 0 0 0 0 0 0 0 5 6 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 2 3 3 4 5 4 2 2 2 1 3 5 9 6 2 1 0 1 0 0 0 0 0 0 1 1 1 4 5 27 44 2 5 6 5 6 7 100 28 4 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; 1HNMR: 34 34 t 2H J 66 | 33 33 s 2H | 29 28 ddd 2H J 30 58 123 | 27 26 m 4H | 22 21 ddd 2H J 31 59 134 | 20 19 ddd 2H J 31 59 132 | 18 17 p 2H J 65 | 17 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOCC1CN(C(=O)OCc2ccccc2)c2ccccc2O1
ir: 5 7 4 5 20 15 12 5 5 4 10 4 3 2 2 2 4 4 3 1 3 4 4 2 2 2 3 2 1 3 6 5 3 2 1 1 3 1 4 5 31 3 21 18 5 6 2 1 1 2 1 0 1 1 1 0 1 2 1 1 2 2 1 1 4 3 8 4 17 6 7 7 2 3 7 4 6 1 3 1 2 4 1 1 1 2 4 2 10 4 2 2 1 2 1 2 3 6 3 2 2 1 2 2 5 3 1 1 3 2 1 4 2 2 1 2 2 3 6 7 13 5 3 3 2 1 1 2 2 2 3 2 2 2 7 14 7 22 30 6 4 4 20 32 100 5 4 1 2 19 3 1 4 21 1 2 2 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 3 2 3 1 2 3 3 5 5 10 10 29 78 45 2 4 4 5 6 4 2 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 d 4H J 43 | 73 73 m 2H | 72 71 m 2H | 69 69 m 1H | 61 60 ddt 1H J 59 118 174 | 53 51 m 2H | 53 52 s 2H | 50 49 p 1H J 46 | 44 44 dd 1H J 46 123 | 42 41 dd 1H J 44 123 | 41 40 m 2H | 39 39 dd 1H J 45 116 | 37 36 dd 1H J 45 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCN1CCN(c2cccc3ccccc23)CC1
ir: 3 5 3 1 1 4 3 3 1 1 1 1 6 4 1 2 1 2 3 1 1 6 1 1 0 0 0 1 0 1 1 2 3 2 0 1 1 2 2 2 2 8 1 2 2 100 4 2 2 2 4 1 1 1 1 1 1 1 1 2 1 2 1 14 4 1 1 2 3 5 1 0 1 1 2 5 1 1 2 2 9 3 10 11 6 5 11 61 27 34 9 9 4 9 5 7 1 8 6 10 2 4 2 3 2 9 2 1 1 2 0 2 2 2 3 1 1 1 1 0 0 0 0 1 0 1 1 2 2 1 2 3 2 3 8 2 6 7 2 2 4 1 0 0 1 1 4 3 2 2 2 11 4 0 0 0 0 3 1 2 5 1 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 1 1 1 1 1 1 0 1 3 4 7 16 31 28 10 5 1 3 3 8 44 5 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 1H | 78 78 dq 2H J 16 76 | 76 75 m 2H | 74 74 m 1H | 71 70 dt 1H J 7 73 | 43 43 t 1H J 59 | 37 36 q 2H J 62 | 34 33 m 4H | 28 27 m 4H | 27 27 t 2H J 63 | 18 17 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNc1ccc(C(C)=O)cn1
ir: 5 4 4 10 8 13 4 6 8 7 2 5 5 7 9 13 8 4 13 8 7 3 3 5 3 7 8 17 10 6 2 5 3 0 4 14 42 67 19 5 11 7 5 3 6 6 5 2 4 3 4 1 7 39 26 16 7 2 2 2 2 1 2 4 2 2 3 4 5 13 19 7 5 5 8 6 2 2 2 1 1 1 1 1 2 1 2 2 2 2 9 7 4 4 6 6 3 2 3 5 7 4 3 2 3 1 2 6 15 5 3 4 5 4 5 3 6 7 12 9 14 12 7 8 27 25 25 3 5 5 8 4 1 3 3 2 1 3 3 4 5 11 43 100 33 49 35 16 8 11 6 23 12 6 3 2 1 3 2 2 3 8 68 6 3 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 2 1 1 2 2 2 3 2 2 2 2 2 2 3 3 2 3 3 5 6 11 10 9 18 7 3 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 3 3 4 8 10 26 38 41 16 10 8 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: 87 86 d 1H J 19 | 81 80 dd 1H J 18 81 | 75 74 t 1H J 59 | 69 69 d 1H J 81 | 42 41 q 2H J 66 | 41 41 d 2H J 59 | 27 26 s 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)C(=O)OC(C)(C)C
ir: 19 10 6 6 7 4 7 7 12 19 16 11 6 20 3 3 5 2 1 3 2 1 1 2 3 1 1 6 5 2 2 4 2 1 1 3 2 4 2 3 2 1 1 3 2 2 3 4 2 0 1 3 2 0 1 3 2 2 8 5 3 5 7 4 2 0 2 4 2 3 8 6 5 6 16 3 5 2 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 4 5 17 11 4 3 1 2 3 3 4 5 5 2 1 2 4 3 2 4 5 22 32 22 19 11 12 13 11 12 37 19 7 7 25 10 21 9 9 4 4 2 1 2 3 2 2 7 7 52 100 75 10 6 5 4 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 4 6 2 1 2 2 2 2 4 5 14 21 8 9 32 6 3 4 2 0 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 37 37 s 3H | 34 34 q 1H J 75 | 14 14 s 8H | 13 13 d 4H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CC[C@H](O)C5)nccn4n3)ccc21
ir: 4 5 3 8 9 3 6 4 7 12 19 11 6 3 1 5 5 5 3 7 4 3 2 4 4 4 3 5 2 3 2 3 3 2 1 3 3 2 1 3 2 3 2 4 3 0 3 18 10 13 16 7 6 12 18 17 3 2 4 7 7 7 4 16 9 5 4 20 10 9 3 3 2 1 4 3 3 3 4 3 2 2 5 9 7 10 18 8 7 6 9 6 3 8 9 11 5 3 3 3 3 4 6 21 45 12 5 7 4 10 3 4 3 8 10 4 0 5 7 12 11 11 17 7 25 10 6 3 26 14 5 2 5 2 2 1 1 1 2 1 2 2 3 2 1 5 5 14 16 5 2 6 5 4 13 6 6 4 12 7 2 1 1 54 2 2 1 0 1 2 6 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 10 6 3 3 4 6 5 8 6 6 3 2 18 13 78 37 25 100 39 13 5 4 3 3 7 11 9 3 3 2 2 2 2 2 3 4 3 4 6 9 7 31 35 14 8 4 5 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 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 0 1 1 1 0 1 1 1 0; 1HNMR: 90 90 s 1H | 88 88 s 1H | 77 77 d 1H J 70 | 76 76 dd 2H J 25 74 | 73 73 d 1H J 20 | 72 71 dd 1H J 21 76 | 45 44 dtt 1H J 15 31 65 | 39 37 m 2H | 37 36 ddd 1H J 53 72 111 | 36 35 dddd 1H J 18 55 73 111 | 31 31 d 1H J 53 | 21 21 dddd 1H J 31 55 77 129 | 19 18 ddt 1H J 50 73 125 | 15 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2cc(c1)OCCSc1cccc(c1)Nc1nc(ncc1Cl)N2
ir: 9 4 3 4 3 3 2 2 2 3 1 2 9 3 8 2 4 2 9 5 5 8 7 20 16 8 5 2 4 3 3 3 3 2 3 5 5 3 46 7 2 37 8 4 22 4 2 14 7 4 2 1 3 3 2 1 2 3 1 1 2 2 2 1 2 3 2 5 9 3 10 3 5 3 2 2 2 3 1 1 2 2 1 2 10 2 4 4 1 2 2 4 2 2 2 2 1 2 2 4 2 8 3 2 0 20 0 2 5 20 1 2 3 2 0 2 3 2 2 3 3 2 2 6 6 3 4 3 3 9 1 2 2 1 1 2 5 1 2 3 10 4 5 22 4 3 33 4 34 6 5 23 40 4 3 7 74 19 5 2 3 9 6 12 24 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 2 2 4 4 4 6 22 15 3 3 2 2 4 2 2 3 2 3 1 2 3 2 2 1 4 5 4 4 7 10 27 33 100 17 7 5 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 85 85 s 1H | 82 82 s 1H | 77 77 t 1H J 22 | 74 73 t 1H J 21 | 73 72 m 2H | 72 71 ddd 1H J 12 21 77 | 71 70 ddd 1H J 13 22 70 | 67 66 t 1H J 22 | 43 42 t 2H J 49 | 39 39 s 3H | 32 32 t 2H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)c1
ir: 5 3 3 5 8 7 4 2 2 3 3 4 4 3 5 4 3 1 1 2 7 10 3 4 7 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 16 3 1 1 1 1 1 1 2 2 4 3 5 51 77 8 8 5 8 3 8 10 6 3 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 0 1 1 5 2 2 19 6 9 5 8 6 3 3 4 18 3 2 0 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 3 1 1 2 1 1 3 3 7 16 2 4 3 5 6 37 100 49 2 4 3 1 2 7 10 1 1 1 2 16 8 6 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 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 4 5 2 3 12 6 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 3 2 7 59 48 9 7 1 1 2 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H | 78 77 dt 1H J 21 121 | 75 74 ddd 1H J 11 22 75 | 74 73 td 1H J 50 76 | 67 66 dddd 1H J 11 21 75 99 | 56 55 d 1H J 78 | 38 37 dp 1H J 67 79 | 19 18 m 2H | 17 16 m 4H | 16 13 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(OC2CCCCNC2)ccc2[nH]ncc12
ir: 5 6 9 4 3 4 6 7 6 1 2 3 7 19 7 3 3 4 3 3 4 2 2 5 5 3 4 3 3 27 50 49 5 15 18 8 21 22 21 14 52 54 32 15 20 19 11 7 5 9 3 9 10 64 68 12 9 7 5 3 2 2 8 5 12 9 4 5 7 4 5 8 3 4 3 3 1 1 3 3 8 3 7 4 2 5 16 5 3 5 6 2 1 2 3 2 2 2 12 12 6 4 2 4 9 10 42 31 13 10 6 29 56 100 42 13 24 33 36 11 11 6 7 4 3 3 5 4 3 6 16 13 9 8 12 13 5 3 3 2 1 4 8 2 2 14 7 1 1 3 2 1 1 5 13 2 7 13 7 1 2 6 20 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 1 4 4 5 6 4 4 3 3 5 10 11 2 16 37 16 9 3 5 2 2 2 2 5 3 4 3 2 4 4 3 7 15 28 43 27 10 9 16 24 46 43 18 16 5 6 7 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 83 83 s 1H | 74 74 d 1H J 81 | 68 68 d 1H J 82 | 45 45 tt 1H J 40 59 | 32 31 m 2H | 29 27 m 3H | 22 21 s 2H | 20 18 m 1H | 17 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl)c1ncccc1-n1nccn1
ir: 8 3 4 1 2 3 6 6 4 4 4 2 0 2 1 3 2 3 12 6 2 5 8 6 3 7 3 3 2 7 9 5 11 19 17 42 100 0 15 44 71 21 30 8 8 4 5 5 7 4 5 4 2 3 3 2 4 4 2 1 3 6 23 2 2 4 17 11 4 1 6 5 3 6 6 2 2 3 1 2 3 2 3 1 5 33 9 4 2 1 2 1 2 5 12 8 4 7 28 14 1 2 2 3 16 10 8 7 4 4 3 2 3 8 32 6 12 22 10 6 4 3 7 11 22 17 24 19 39 6 3 3 3 4 12 4 4 3 3 18 16 15 53 15 36 12 62 15 35 11 6 5 2 5 28 15 3 1 2 5 9 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 2 2 4 4 3 2 3 4 2 4 8 27 5 2 1 2 1 1 2 1 1 1 1 2 2 3 2 1 2 3 5 4 12 64 25 63 30 20 5 9 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1; 1HNMR: 87 86 dd 1H J 20 38 | 85 84 p 1H J 13 | 84 84 dd 1H J 22 82 | 82 81 s 2H | 80 79 dq 1H J 9 18 | 76 75 m 1H | 75 75 dd 1H J 38 82 | 67 66 m 1H | 41 40 ddqd 2H J 14 30 50 59 | 20 19 m 2H | 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.
CC(C)c1cc(N2CCCC2)ccc1CN1CCNCC1
ir: 1 1 1 1 1 1 2 2 2 1 3 4 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 2 2 2 3 1 1 2 0 2 4 14 34 58 33 9 9 8 4 3 2 2 4 8 7 3 8 12 11 3 2 1 1 1 1 1 3 2 1 3 14 2 1 4 12 3 2 4 2 2 4 4 5 4 2 1 1 7 12 4 2 2 2 2 3 8 9 4 77 14 5 7 6 4 6 10 7 5 2 1 2 1 1 1 1 1 1 3 6 5 3 3 2 2 1 0 1 0 0 0 0 1 0 0 1 1 1 3 1 1 7 4 3 1 4 10 3 1 0 0 1 1 1 14 4 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 1 1 1 1 1 1 1 4 1 2 2 1 1 1 3 9 8 2 5 22 13 2 1 1 1 1 1 1 0 1 0 0 0 1 1 1 3 5 23 100 13 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dt 1H J 9 89 | 68 67 m 2H | 37 37 d 2H J 10 | 35 34 m 4H | 31 30 dtd 1H J 9 69 137 | 28 28 m 4H | 28 27 m 4H | 27 26 p 1H J 33 | 22 21 p 4H J 21 | 13 13 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCNC(=O)c1ccc2nc(C(F)(F)F)c(Cl)nc2c1
ir: 9 3 3 5 7 13 11 19 2 2 3 1 1 2 6 6 17 16 24 13 6 11 9 7 6 3 4 3 4 4 3 4 19 2 2 4 4 5 72 82 29 10 7 3 4 4 2 1 1 4 2 2 1 3 2 26 13 16 2 4 5 4 2 1 2 2 6 30 13 84 47 7 3 2 2 6 3 4 4 2 10 2 1 1 2 4 16 8 4 2 2 1 14 20 5 2 2 5 40 6 1 1 2 3 21 7 1 2 2 5 2 6 5 2 3 4 2 6 8 8 13 15 5 3 1 3 8 7 2 1 1 2 0 2 1 1 1 5 19 17 4 15 41 52 100 8 35 17 7 4 4 10 4 16 4 2 3 3 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 3 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 1 2 2 2 1 6 3 13 56 24 12 16 4 2 2 1 1 1 2 3 3 4 2 3 27 6 7 5 3 16 13 11 10 51 14 5 2 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 m 2H | 82 82 dd 1H J 21 87 | 82 81 d 1H J 88 | 43 43 dd 2H J 24 37 | 23 23 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)N[C@@H]1CC[C@@H](C(=O)N2CCN(C(C)C)CC2)CC1
ir: 1 4 4 3 7 8 13 3 12 7 4 3 1 2 2 2 2 1 2 1 3 2 1 1 1 2 2 1 1 2 2 5 9 4 6 5 9 10 6 5 4 4 8 18 5 7 7 3 5 4 3 3 4 4 8 12 2 3 8 22 4 8 2 2 2 2 2 2 3 18 22 7 4 4 11 6 4 5 6 4 5 3 3 6 6 11 28 17 5 3 4 9 5 2 2 2 5 3 12 12 20 17 35 21 8 10 5 3 3 4 3 7 7 8 12 8 12 10 7 11 6 10 4 5 4 2 3 4 6 11 7 9 3 3 3 2 2 3 3 3 3 2 2 3 3 4 4 5 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 1 1 1 1 1 1 1 1 2 1 2 1 1 3 4 3 3 2 3 4 2 2 7 29 6 3 1 1 2 1 1 1 2 1 0 1 1 1 1 1 2 1 0 2 3 1 0 38 100 21 8 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 35 34 m 5H | 31 30 m 1H | 30 28 td 2H J 36 77 | 28 27 m 5H | 24 23 tt 1H J 49 76 | 19 17 m 6H | 17 15 m 4H | 11 10 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc(COc2ccc(N)cc2)ccn1
ir: 17 14 12 14 12 11 9 5 2 4 2 6 5 7 7 4 3 1 2 2 1 1 2 3 4 1 1 8 14 4 6 8 9 40 11 5 2 3 4 2 10 27 5 4 2 2 2 1 1 1 3 3 2 6 18 41 23 4 3 4 2 1 3 2 8 7 14 4 4 13 2 1 8 11 7 1 2 6 5 9 3 1 2 1 3 2 1 3 5 13 4 1 4 11 4 0 1 1 1 1 2 5 9 2 2 2 11 6 1 1 0 1 1 1 1 4 3 2 1 2 4 5 7 5 5 6 3 4 3 7 5 16 7 2 1 1 1 1 1 1 1 1 7 18 100 25 9 12 2 4 4 4 10 14 6 5 95 19 3 3 2 5 3 14 2 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 2 1 4 7 10 34 32 12 9 4 2 1 1 1 0 1 1 1 1 1 2 4 7 25 16 2 2 3 18 25 11 18 9 2 11 22 7 8 2 2 1 1 0 0 1 0 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 45 | 80 79 dd 1H J 11 21 | 74 73 q 1H J 56 | 72 72 m 1H | 68 68 m 2H | 66 65 m 2H | 52 52 d 2H J 9 | 37 37 s 2H | 30 29 d 3H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CO)ccnc1Cl
ir: 5 6 2 3 4 4 2 4 4 3 2 4 5 6 6 5 4 4 20 8 9 3 2 3 4 15 24 9 3 2 1 2 3 2 2 4 8 6 4 2 2 1 2 3 6 10 11 5 2 1 2 4 2 2 3 5 2 2 2 3 2 3 4 5 2 2 3 4 3 5 10 25 25 10 8 10 31 9 9 7 4 15 10 7 25 100 90 41 17 12 17 22 5 3 6 6 3 3 11 29 15 5 5 3 3 4 4 3 1 2 3 2 1 2 3 2 2 6 8 6 5 5 7 4 6 10 15 7 14 11 15 7 3 3 3 1 1 2 2 1 1 2 2 1 2 6 6 3 10 24 6 2 2 2 2 2 2 29 16 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 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 3 2 4 4 4 2 5 5 6 5 6 6 6 5 7 23 18 3 3 6 4 2 8 82 39 4 2 3 2 2 2 3 2 1 2 2 2 2 3 3 3 3 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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; 1HNMR: 83 83 d 1H J 40 | 70 69 dt 1H J 9 40 | 47 47 dd 2H J 9 55 | 29 28 t 1H J 56 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)Nc1ccc(Br)c2cccnc12
ir: 8 6 3 5 8 5 4 6 7 5 4 8 7 5 4 5 6 4 4 5 6 6 4 6 7 8 4 6 6 8 7 8 6 4 5 6 6 5 5 7 14 10 7 9 13 34 72 9 8 10 10 12 76 13 72 28 7 0 5 9 5 2 12 9 5 4 10 12 5 3 6 7 7 6 6 7 5 5 7 7 5 4 6 6 5 26 17 8 4 4 16 11 4 4 7 6 4 5 15 12 5 10 12 6 3 5 13 19 5 6 8 6 3 13 22 6 3 8 8 5 3 5 7 5 3 5 7 5 4 6 7 5 3 6 7 5 4 26 14 15 13 9 7 6 5 8 58 100 7 15 8 5 11 9 8 7 7 7 6 4 5 8 8 4 5 7 5 3 5 7 5 3 5 7 5 3 5 7 5 3 5 6 4 3 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 3 5 6 5 4 5 6 5 3 5 7 5 3 5 6 5 3 5 6 5 3 5 6 4 4 5 6 4 4 5 6 4 4 6 6 4 4 6 6 4 4 6 6 4 4 6 5 4 4 6 5 6 6 6 5 4 5 7 5 4 5 7 5 4 5 13 7 9 9 16 21 13 7 8 6 5 6 6 5 4 6 6 4 4 5 6 6 6 6 7 5 5 11 16 48 24 7 7 6 4 6 6 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4; 1HNMR: 97 97 s 1H | 88 87 dd 1H J 21 41 | 83 83 dd 1H J 22 75 | 77 77 d 1H J 86 | 76 75 m 2H | 44 43 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ON=C1CCC(Sc2ccccc2)C1
ir: 6 3 0 6 15 38 53 87 59 37 29 22 6 6 9 3 1 3 4 5 12 18 4 2 1 3 2 2 8 10 4 4 4 3 3 3 5 11 29 100 100 11 12 5 6 4 3 5 3 2 2 3 2 2 2 5 4 13 9 9 7 2 3 2 3 4 12 19 8 4 5 7 5 16 36 70 20 9 3 3 3 3 3 9 14 4 1 3 4 3 8 10 11 54 97 10 4 4 4 8 19 23 9 5 3 5 14 6 3 2 3 2 2 4 6 4 2 7 9 2 3 4 8 9 9 4 3 3 2 2 2 3 4 5 16 8 2 3 3 3 2 39 46 7 5 8 27 28 9 6 9 14 5 4 3 1 2 3 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 2 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 2 2 2 2 3 3 6 4 3 4 8 5 18 10 18 57 9 23 54 17 12 8 8 5 7 3 13 26 1 2 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 73 72 m 5H | 31 30 tt 1H J 32 44 | 28 28 m 1H | 26 25 m 2H | 24 23 ddd 1H J 38 57 137 | 23 23 ddt 1H J 34 54 111 | 21 20 ddt 1H J 34 55 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1nsc(S(N)(=O)=O)n1
ir: 5 5 7 21 16 47 27 9 7 3 1 3 5 3 3 6 6 3 1 4 6 7 1 1 2 1 0 2 1 0 0 1 1 3 2 1 1 1 6 3 2 0 38 35 3 2 2 5 10 7 4 21 8 4 5 12 8 14 31 9 4 2 14 18 4 1 3 2 2 3 3 4 8 12 11 19 17 11 3 14 80 67 13 9 16 17 4 17 20 15 12 22 19 20 11 11 7 7 8 10 12 8 2 3 2 5 7 4 3 6 6 3 1 2 4 3 2 6 29 83 73 8 0 14 12 1 2 1 3 2 1 2 1 1 1 0 0 22 8 3 1 2 11 43 6 1 1 0 3 24 0 1 1 0 1 1 1 0 1 3 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 0 1 0 0 1 1 1 1 2 1 2 3 6 22 33 53 27 6 2 1 1 1 1 1 1 1 1 0 1 1 1 2 7 21 24 4 5 15 100 59 2 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 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; 1HNMR: 82 82 s 2H | 78 77 dd 1H J 12 95 | 74 74 ddd 1H J 13 73 95 | 74 73 m 1H | 73 72 td 1H J 13 76 | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC2SC(=O)NC2=O)c2ccc(=O)n(C)c12
ir: 10 10 10 10 10 10 13 10 10 10 16 10 10 9 9 10 10 9 10 9 10 9 9 10 10 11 11 10 10 10 10 9 11 10 10 10 9 10 10 10 10 11 13 12 40 50 88 50 19 11 10 12 11 10 17 14 10 9 10 11 9 9 10 10 10 11 10 10 9 9 10 10 10 10 11 10 9 9 10 10 9 9 10 10 9 10 10 10 10 10 10 10 9 10 10 10 9 9 10 10 12 16 13 14 26 11 11 11 10 10 10 10 10 12 12 11 10 13 15 14 13 13 12 11 10 10 9 10 9 9 10 10 10 11 10 10 14 12 10 10 10 15 18 12 11 10 9 11 10 9 14 11 11 16 27 15 15 0 100 7 15 14 11 9 9 11 10 8 9 10 9 8 9 10 9 8 9 10 9 8 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 10 9 11 10 10 9 10 11 11 10 10 12 14 11 12 22 14 18 13 11 10 10 9 9 9 9 9 9 9 9 9 10 10 9 10 10 10 10 15 53 14 10 11 12 9 9 10 10 9 10 12 11 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 99 99 s 1H | 80 80 d 1H J 95 | 72 71 dt 1H J 8 86 | 69 69 d 1H J 88 | 66 66 d 1H J 97 | 45 44 t 1H J 46 | 39 38 s 3H | 38 37 s 3H | 30 29 dtd 1H J 9 75 150 | 29 28 m 1H | 24 23 dtd 1H J 46 75 137 | 22 21 dtd 1H J 45 75 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1coc(C(=O)OCc2ccccc2)c1
ir: 3 4 38 8 61 40 10 12 2 5 4 3 1 1 2 2 1 3 10 18 1 4 2 2 9 8 2 4 6 14 21 24 2 1 1 2 2 5 29 18 37 11 2 3 1 2 3 1 1 1 3 2 1 1 1 1 1 5 13 1 1 1 1 1 1 5 4 1 7 7 4 46 7 3 2 1 2 3 15 5 1 1 1 0 1 1 1 3 29 18 62 3 1 1 2 1 1 9 9 5 2 33 11 5 18 2 1 1 2 1 1 1 1 1 2 14 11 2 0 7 25 9 2 2 2 2 1 3 1 2 9 2 1 1 8 16 1 6 2 1 1 8 42 95 12 7 8 5 3 21 9 4 3 7 4 1 1 1 1 0 1 31 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 1 0 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 3 1 1 0 1 4 1 1 1 2 1 1 2 11 22 40 18 100 54 35 8 4 2 5 2 2 3 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 82 82 d 1H J 18 | 75 74 d 1H J 18 | 74 73 m 5H | 52 52 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)cc2c(CC3CCS(=O)(=O)CC3)c[nH]c12
ir: 8 3 2 3 4 6 5 11 1 2 1 1 0 1 1 0 0 4 2 4 2 1 2 1 0 2 1 1 0 1 2 9 7 1 1 1 2 21 11 11 2 3 3 2 1 2 2 16 3 1 2 0 2 1 1 1 1 1 1 0 1 1 1 3 1 5 5 16 4 3 0 0 1 1 0 0 2 2 1 1 5 1 1 1 33 13 4 2 2 5 11 5 3 1 1 1 1 1 2 1 4 16 6 6 7 5 11 10 4 1 3 3 7 2 1 2 8 9 6 6 3 3 1 3 4 2 3 2 1 3 2 1 1 5 5 2 1 1 1 1 1 1 2 7 1 100 2 2 1 0 0 1 2 20 3 2 1 0 4 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 3 8 5 2 1 1 1 1 3 6 12 3 1 10 6 1 6 8 2 1 1 0 0 0 1 0 0 0 0 1 0 1 1 1 1 0 3 17 16 22 28 0 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 81 81 d 1H J 22 | 79 79 d 1H J 23 | 71 71 m 1H | 39 39 s 3H | 32 31 ddd 2H J 70 98 144 | 31 30 m 2H | 27 27 dd 2H J 7 65 | 21 20 m 4H | 18 17 ddt 2H J 71 99 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1=CC(C(F)(F)F)=CCC1(O)C(C)(C)C
ir: 2 8 5 2 7 4 2 4 3 3 3 5 2 1 1 2 2 2 2 2 2 2 4 5 2 2 6 2 3 4 2 2 2 10 3 1 1 1 2 2 1 1 3 2 1 2 5 3 2 1 1 1 1 2 2 8 2 5 2 1 2 2 12 4 12 24 19 7 4 10 15 8 18 16 7 10 13 27 16 20 10 7 9 3 4 3 1 2 4 8 2 12 15 29 23 7 7 4 9 73 27 8 5 48 7 5 4 4 3 4 0 34 31 11 10 5 1 3 8 11 2 7 8 8 2 9 14 12 8 14 9 19 12 4 10 8 5 9 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 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 2 1 1 2 2 5 3 1 2 3 6 3 4 4 3 6 12 22 29 6 47 35 8 3 3 5 2 1 7 100 10 5 1 1 2 2 2 2 2 2 2 3 4 6 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 66 65 q 1H J 11 | 63 62 tt 1H J 10 38 | 41 41 s 1H | 25 24 ddd 1H J 10 42 154 | 23 22 ddd 1H J 10 42 154 | 12 12 s 9H | 11 10 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)C(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1
ir: 27 29 47 18 17 15 14 21 21 10 29 14 22 27 33 17 29 40 37 40 18 12 16 8 9 19 38 20 12 9 9 5 7 9 7 7 7 13 6 5 7 73 90 19 15 8 7 13 12 9 8 7 12 15 31 37 41 26 14 43 38 27 10 6 15 14 6 7 40 8 19 13 9 13 7 10 7 4 6 9 10 7 10 10 6 4 4 4 4 4 5 4 9 11 21 25 12 6 4 5 7 5 0 19 3 4 9 6 1 12 20 26 75 38 37 23 32 33 18 26 25 30 34 21 20 39 14 23 18 14 17 68 23 9 3 11 94 29 11 10 12 23 33 15 19 45 39 27 8 36 35 14 16 26 21 32 25 9 7 3 4 5 4 3 3 4 8 3 5 5 4 3 3 4 3 2 3 4 3 3 4 4 3 3 3 3 3 3 4 4 3 3 3 4 3 3 3 3 3 3 4 4 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 4 4 4 4 4 5 6 4 6 7 9 9 14 23 10 6 7 8 9 8 10 11 13 18 24 100 53 41 79 100 95 15 12 10 9 4 6 6 5 4 5 5 5 3 5 8 5 6 10 14 14 10 52 82 64 45 14 8 8 5 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 87 87 m 1H | 78 77 m 2H | 76 75 m 2H | 75 74 m 2H | 74 73 s 1H | 69 68 t 1H J 35 | 33 32 qd 2H J 35 59 | 16 15 s 5H | 13 12 t 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CC(C)(C)NCC(O)c2ccccc2)cc1
ir: 2 2 5 3 2 2 5 6 9 8 10 18 7 8 8 4 3 8 1 17 3 1 1 2 3 2 1 2 6 2 4 8 3 2 2 1 1 1 2 3 16 10 4 11 2 2 1 1 4 30 7 10 4 4 35 10 5 6 11 3 2 2 4 4 4 3 3 5 4 11 2 6 2 4 1 1 1 1 2 2 1 2 2 3 8 16 26 8 6 18 4 2 3 2 2 6 7 5 3 1 2 1 0 4 1 1 1 1 1 2 2 1 0 3 6 15 35 9 6 8 2 7 14 4 3 7 6 2 3 11 9 2 2 17 19 9 4 1 0 1 1 1 3 11 5 5 4 14 13 0 0 1 11 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 1 1 2 1 1 3 3 1 4 9 6 4 40 54 33 13 4 0 3 6 36 5 4 3 1 0 1 2 1 1 3 10 100 66 20 4 2 3 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 5H | 71 71 m 2H | 70 69 dt 2H J 9 75 | 54 53 t 1H J 69 | 48 47 q 1H J 44 | 40 40 d 1H J 48 | 32 31 ddd 1H J 44 70 137 | 29 29 m 2H | 29 29 s 2H | 23 23 d 3H J 10 | 12 12 d 5H J 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1=Cc2c(c(C)c(C)c3oc(C(=O)O)cc23)C1=O
ir: 2 2 1 1 1 1 0 1 3 2 1 2 2 4 3 2 2 1 1 10 4 4 19 100 6 2 2 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 5 5 29 13 8 7 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 2 3 1 1 1 1 1 1 1 2 3 10 32 1 3 7 2 1 3 4 4 1 1 1 3 2 1 1 1 1 1 2 1 3 3 1 1 1 0 1 5 6 2 1 3 6 11 8 3 4 6 2 1 2 1 1 1 2 2 2 2 3 1 2 2 2 1 2 3 3 5 6 2 3 7 8 2 1 4 32 6 1 4 1 1 1 1 6 5 2 1 6 3 1 1 3 5 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 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 2 1 1 1 1 1 1 1 2 1 1 4 5 3 2 3 7 12 18 4 3 2 1 0 11 85 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 79 79 s 1H | 78 78 m 1H | 32 31 td 2H J 14 67 | 26 25 s 3H | 23 23 s 3H | 17 16 qt 2H J 66 76 | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)c2ccc(F)cc2)c(OC)c1
ir: 3 1 2 1 2 2 1 1 2 1 5 9 3 2 3 3 2 5 9 4 2 2 1 3 3 4 3 4 3 3 2 3 2 1 2 7 17 17 8 31 98 30 4 3 3 3 1 2 2 2 1 3 5 8 12 7 37 4 4 5 3 2 3 3 3 6 12 35 25 16 6 4 2 1 4 2 1 1 3 1 1 1 2 2 1 1 5 10 2 2 2 2 1 2 2 1 1 1 2 2 2 2 4 1 1 1 1 1 2 3 1 2 21 10 12 2 2 4 9 10 11 7 3 4 22 11 17 3 17 4 1 1 1 2 2 3 73 8 5 2 1 2 2 1 2 2 31 7 20 5 21 21 12 3 27 21 2 3 2 1 2 3 16 2 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 3 2 3 3 14 8 9 40 100 33 18 4 2 2 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; 1HNMR: 79 78 d 1H J 86 | 78 77 m 2H | 73 72 m 2H | 69 69 dd 1H J 22 86 | 66 66 d 1H J 23 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)Cc1ccc(C(N)=O)s1
ir: 0 1 2 1 0 2 2 1 1 1 2 1 0 10 2 8 1 2 3 1 2 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 3 7 8 5 17 1 0 1 2 2 1 1 2 1 0 1 3 2 4 2 11 8 9 2 5 4 1 1 2 1 0 2 2 1 0 2 3 2 1 1 2 1 3 3 2 4 1 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 1 1 2 2 2 4 1 2 1 1 1 2 1 1 2 5 7 6 7 3 1 1 1 1 1 7 26 6 0 0 1 1 0 1 1 1 0 1 1 2 37 21 46 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 2 0 1 2 1 1 1 3 2 1 2 3 2 1 1 2 1 0 1 2 1 1 2 3 2 2 2 4 3 0 65 16 100 13 1 2 1 1 5 7 9 5 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 d 1H J 73 | 70 69 dt 1H J 8 74 | 66 65 s 2H | 36 35 d 2H J 53 | 35 34 m 1H | 31 30 ddd 1H J 7 46 145 | 28 28 ddd 1H J 9 47 147 | 12 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccc(F)cc1)C(=O)CNc1ncc(CO)cc1Cl
ir: 1 2 2 3 2 2 10 11 9 4 2 3 7 13 7 3 1 2 1 1 3 2 1 2 1 2 1 1 1 6 1 18 4 1 6 3 1 33 8 5 2 1 3 2 1 2 1 2 1 1 4 2 2 1 2 12 17 5 3 1 1 1 8 2 1 1 1 2 2 3 2 1 1 1 1 1 1 1 1 1 1 2 4 5 5 10 14 4 5 5 2 3 4 1 1 1 1 4 4 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 6 12 10 15 13 3 2 2 1 2 4 1 11 5 2 1 1 2 7 11 3 2 1 2 2 18 7 4 3 3 15 5 20 2 1 1 1 1 19 3 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 3 2 5 3 3 7 20 6 3 2 3 2 8 18 100 8 2 2 0 1 2 2 1 1 1 2 3 4 5 2 11 17 5 2 1 3 1 2 4 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 dt 1H J 8 16 | 79 79 dt 1H J 9 17 | 73 73 ddt 2H J 8 35 81 | 71 70 ddt 2H J 17 86 99 | 69 68 t 1H J 55 | 48 48 dt 2H J 9 60 | 45 44 t 2H J 9 | 43 42 m 3H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Cl)c(S(C)(=O)=O)c(Cl)c1
ir: 5 6 4 7 7 21 22 5 9 5 4 5 4 3 5 3 6 14 8 5 9 45 12 2 3 4 4 2 3 4 3 2 3 4 6 5 6 4 17 12 4 5 3 3 3 4 3 2 3 4 4 3 4 5 4 4 7 11 6 1 4 6 5 0 9 54 38 20 41 4 5 8 18 3 4 7 3 14 44 3 5 4 3 5 5 23 10 6 4 5 3 3 3 3 3 4 3 3 34 34 7 5 4 7 16 55 67 17 33 10 7 6 9 13 20 9 10 28 18 13 9 16 34 6 15 30 29 8 8 5 3 5 4 3 5 3 4 3 3 4 4 3 4 10 14 77 50 5 4 3 3 3 3 3 3 5 6 3 3 4 4 10 9 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 4 5 5 15 20 7 4 5 4 4 6 6 6 5 13 13 25 28 29 100 39 13 7 6 3 4 4 3 3 4 3 4 4 4 3 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 81 81 s 2H | 44 44 q 2H J 63 | 34 34 s 3H | 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.
CC1(OC(=O)CCl)C2CC3CC(C2)CC1C3
ir: 8 3 8 5 2 3 3 4 6 20 24 12 6 20 6 2 2 3 3 2 18 12 9 3 1 4 3 18 12 9 10 22 3 3 4 1 13 6 10 4 4 6 7 20 14 9 7 3 3 9 8 0 2 5 4 1 7 6 6 12 3 5 2 1 2 5 8 2 7 14 2 2 3 2 4 7 5 5 1 1 3 2 1 1 3 3 2 2 4 3 3 3 4 3 1 1 3 2 0 8 4 6 3 2 4 3 3 3 7 20 15 48 57 12 10 10 14 16 14 19 20 39 89 34 19 39 24 12 10 13 3 4 2 4 7 12 12 4 2 2 3 3 5 13 100 74 9 5 5 1 2 2 3 1 2 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 1 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 1 3 2 2 2 3 2 4 4 6 15 8 17 28 18 21 18 45 31 66 70 64 21 7 3 4 2 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 42 41 s 2H | 19 18 m 2H | 18 17 m 7H | 17 17 t 2H J 52 | 16 15 ddd 4H J 55 76 137 | 12 12 t 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1N(C)S(C)(=O)=O
ir: 3 2 23 2 7 3 2 3 6 2 1 2 2 3 4 4 4 2 3 11 16 5 2 1 1 1 1 1 1 0 3 5 8 7 4 4 20 18 5 17 2 2 2 0 1 2 3 1 2 3 1 0 2 2 1 14 4 48 15 4 1 2 2 2 2 4 4 12 18 29 3 5 6 9 3 1 2 3 2 0 2 3 1 1 3 11 21 12 84 1 7 9 9 2 4 10 12 4 2 1 1 2 11 6 9 3 2 1 1 1 3 14 8 5 3 3 4 3 9 16 2 6 27 7 10 3 3 2 3 3 4 4 2 2 6 27 7 9 5 2 14 1 1 24 1 2 3 4 1 1 5 1 2 6 5 100 6 11 3 2 1 0 4 1 0 0 1 1 4 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 1 1 1 1 1 2 1 2 2 3 3 5 9 6 19 18 21 18 16 11 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 88 87 d 1H J 26 | 84 84 d 1H J 18 | 80 80 d 1H J 80 | 79 79 dd 1H J 24 81 | 78 78 d 1H J 18 | 74 73 s 1H | 38 38 s 4H | 36 36 s 3H | 35 35 s 3H | 28 28 s 3H | 25 24 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1C(=O)c2c(n(Cc3ccc(C(=O)OC)cc3)c3ccccc23)CC1(C)C
ir: 13 11 7 10 5 4 8 7 5 4 8 9 7 67 7 7 5 2 0 3 20 1 6 2 9 3 4 1 3 3 2 1 3 4 2 4 4 0 3 1 1 5 16 10 100 10 3 5 1 6 2 3 12 14 13 21 5 4 7 3 12 5 6 2 1 2 1 0 1 3 12 6 2 3 7 20 4 9 20 7 0 1 2 1 8 3 1 2 6 3 11 23 2 4 4 2 3 1 5 5 3 7 5 5 0 1 2 1 1 1 1 1 0 1 1 58 21 13 8 6 11 22 12 10 2 25 5 6 3 4 5 4 23 4 1 1 2 11 12 19 5 2 9 36 18 4 5 16 6 20 14 18 5 4 5 63 3 0 1 1 3 16 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 0 2 1 4 5 1 2 4 10 9 6 26 31 23 19 100 60 12 31 14 5 2 2 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 1H | 79 79 m 2H | 75 75 dd 1H J 16 64 | 74 73 m 4H | 73 73 ddd 1H J 13 64 73 | 58 58 d 1H J 22 | 57 56 d 1H J 22 | 55 55 d 2H J 9 | 39 39 s 3H | 33 33 s 2H | 12 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCCCCCCCCCCBr
ir: 0 0 1 0 0 1 1 1 1 1 1 2 1 2 1 1 1 2 3 3 7 14 25 7 5 2 2 1 1 0 0 0 0 0 1 2 1 1 1 1 2 1 1 0 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 4 7 4 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 1 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 3 8 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 4 2 1 0 1 1 1 1 1 1 2 7 0 1 1 0 0 1 1 2 1 3 11 73 100 19 1 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 34 34 t 2H J 47 | 23 23 t 2H J 90 | 18 17 tt 2H J 48 76 | 17 16 tt 2H J 76 89 | 15 14 m 2H | 14 12 m 9H | 13 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC2CCCCCCC2)nc(N)[n+]1[O-]
ir: 2 5 2 3 3 4 7 8 5 14 3 5 15 5 7 6 6 6 6 4 8 4 3 3 3 2 3 2 4 7 24 56 20 27 7 6 6 4 8 4 4 2 4 2 3 2 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 3 2 8 7 5 6 8 5 4 3 1 1 1 1 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 12 9 8 5 2 4 4 9 4 4 9 7 4 2 4 3 2 4 4 6 4 7 5 6 3 3 2 2 3 5 3 2 3 2 1 2 5 41 8 6 1 2 6 53 77 25 6 5 10 2 2 4 4 29 42 8 8 6 1 1 71 4 5 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 3 4 2 2 3 2 2 2 3 8 12 7 4 14 6 3 4 2 2 1 1 2 1 1 2 2 1 1 2 3 1 10 8 3 4 1 6 8 5 100 64 6 6 8 66 2 3 3 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 36 36 d 1H J 93 | 30 29 dp 1H J 56 95 | 26 26 s 1H | 24 24 s 2H | 21 20 s 2H | 17 16 m 2H | 16 15 m 2H | 15 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CCC(F)(F)F)Cc1ccc(C(F)(F)F)c(Cl)c1
ir: 10 9 3 4 6 5 3 6 5 4 2 3 9 3 2 6 7 3 4 8 13 6 8 28 24 3 2 5 5 8 3 5 5 4 4 5 4 2 6 6 8 13 4 5 4 2 3 5 4 2 4 6 4 2 10 20 11 1 3 5 3 1 4 5 3 2 9 19 22 8 4 5 3 2 4 4 2 2 5 5 2 2 5 5 4 8 9 12 3 4 16 13 5 10 11 7 0 7 58 100 30 16 13 7 4 57 8 16 16 9 5 4 4 5 7 7 4 13 20 41 55 12 15 6 7 10 4 4 5 5 4 4 4 4 4 3 3 4 4 4 5 7 5 4 3 4 4 3 5 2 24 5 6 9 9 3 4 5 4 2 4 14 9 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 6 6 11 11 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 5 7 13 9 7 5 5 5 6 9 13 12 11 21 32 19 5 6 6 4 3 4 6 4 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 75 dq 1H J 24 65 | 75 74 dt 1H J 9 19 | 74 73 ddt 1H J 9 20 65 | 32 32 t 2H J 9 | 26 25 qt 2H J 76 143 | 21 20 tq 2H J 25 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1
ir: 3 1 2 2 5 4 13 2 1 4 3 2 3 1 2 10 11 8 5 2 2 1 5 2 2 3 2 2 5 1 1 1 1 3 2 2 2 10 2 6 6 4 46 9 17 3 2 2 6 7 14 2 14 6 23 22 2 2 2 2 3 2 5 5 4 14 6 13 15 12 8 2 3 3 3 11 7 9 6 7 7 51 11 7 30 26 10 64 82 62 23 39 47 14 6 5 9 3 2 21 11 3 3 5 7 5 23 12 17 4 7 3 5 3 3 2 6 4 10 5 4 3 1 2 2 2 10 8 5 2 2 1 2 6 5 2 10 20 32 21 2 1 4 25 5 2 1 1 2 7 50 10 13 3 4 3 1 1 2 3 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 3 2 2 2 6 7 8 7 4 7 18 10 5 17 32 27 100 57 31 48 11 5 5 25 22 15 8 4 2 2 3 2 2 2 2 1 2 1 2 2 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 dd 2H J 20 80 | 73 72 m 3H | 72 72 d 1H J 21 | 71 70 td 1H J 20 68 | 40 40 dd 1H J 36 45 | 35 35 dd 2H J 48 57 | 32 32 d 1H J 124 | 30 29 m 3H | 29 28 ddd 2H J 53 79 119 | 25 24 m 2H | 22 22 dd 1H J 42 132 | 19 18 m 2H | 18 17 m 1H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NO)c1ccc(CN(c2ccc(F)cn2)c2nc(C(F)(F)F)ns2)cc1
ir: 2 2 5 3 7 1 2 2 1 1 2 2 2 3 4 7 2 7 1 2 2 1 1 1 2 2 1 1 1 3 3 13 12 8 2 3 3 5 9 8 7 2 2 2 3 1 1 1 1 1 1 2 3 13 37 6 18 8 2 1 1 1 1 1 1 0 1 1 2 7 2 0 1 3 3 3 4 2 4 1 1 0 1 2 2 1 1 2 2 1 3 3 1 7 9 22 100 12 0 3 25 7 5 3 1 1 0 1 1 1 1 2 1 2 3 5 3 1 1 1 3 8 4 2 4 4 6 1 0 1 1 1 0 1 1 0 0 1 1 4 12 20 10 6 31 11 16 5 3 6 12 6 7 2 1 1 1 1 1 0 13 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 3 4 2 4 20 27 30 15 6 2 2 2 4 17 5 4 2 0 1 1 1 1 1 1 1 2 4 3 3 6 14 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 d 1H J 35 | 93 93 d 1H J 35 | 82 81 dd 1H J 20 141 | 78 78 m 2H | 75 74 dq 2H J 9 81 | 73 72 ddd 1H J 20 84 103 | 69 69 dd 1H J 43 83 | 51 51 t 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)CC(O)c1ccc(CNC(=O)OC(C)(C)C)cc1F
ir: 9 10 14 4 5 5 2 5 6 11 3 4 7 8 5 3 4 4 6 4 3 7 13 24 40 17 18 26 26 23 7 9 4 4 4 3 4 5 2 3 3 1 1 3 2 0 2 2 3 2 1 7 8 14 16 10 6 3 4 4 16 14 10 3 2 1 3 23 13 2 3 2 2 1 5 4 2 0 3 6 1 2 12 36 23 39 19 22 24 29 7 7 26 22 6 7 8 4 4 4 9 5 4 2 2 2 3 1 3 5 8 4 3 6 4 4 7 8 5 15 17 17 5 12 10 6 8 16 9 13 17 8 3 4 3 2 5 4 3 3 5 8 30 14 38 36 8 12 13 34 24 11 5 5 2 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 2 1 1 1 2 1 1 2 2 2 4 3 5 3 6 4 10 5 4 4 5 3 11 6 5 24 20 19 29 30 6 3 2 7 11 57 100 47 3 5 4 1 0 2 3 0 0 3 3 2 2 24 44 42 18 12 3 3 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 ddd 1H J 7 47 80 | 72 71 m 2H | 59 59 t 1H J 56 | 51 50 m 1H | 45 44 dt 2H J 9 56 | 32 31 d 1H J 44 | 19 18 dd 1H J 62 135 | 17 16 dd 1H J 64 136 | 14 14 s 8H | 9 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1nc2cc(O)cc(/C(C)=N/OC)c2s1
ir: 4 4 4 2 2 2 3 4 4 2 2 2 3 2 2 2 3 2 2 2 2 5 3 7 2 3 2 2 2 3 5 3 2 3 2 2 2 3 3 3 2 5 6 9 35 8 12 26 10 13 5 5 3 3 3 3 2 3 2 1 2 3 2 1 3 4 5 14 6 4 2 2 3 2 2 2 4 4 4 18 20 3 0 1 100 2 5 4 1 1 2 2 1 1 2 2 1 2 2 5 2 2 7 2 6 1 2 2 2 2 2 3 2 4 2 2 2 3 2 2 2 2 2 4 2 2 6 5 3 4 3 5 3 2 2 2 3 2 1 2 3 6 3 4 3 2 2 3 4 3 17 4 76 3 2 2 2 4 2 2 2 4 2 1 2 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 6 2 3 9 9 2 2 2 2 1 2 10 6 4 2 2 2 2 2 1 2 2 2 2 3 3 7 29 10 4 5 3 2 2 2 2 2 2 2 1 2 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H | 83 83 s 1H | 72 72 t 1H J 38 | 70 70 d 1H J 22 | 69 69 d 1H J 22 | 40 40 s 3H | 33 32 qd 2H J 37 61 | 25 25 s 3H | 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.
O=Cc1ccc(OCC(F)(F)F)nc1
ir: 0 1 2 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 19 4 7 1 1 1 1 1 1 1 1 1 1 0 1 3 1 2 13 0 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 16 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 3 6 2 6 3 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 7 1 1 1 2 2 1 1 1 1 1 1 1 2 100 2 0 1 1 1 1 1 10 1 1 1 1 1 1 2 0 7 1 1 1 1 1 1 16 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 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 5 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 88 d 1H J 21 | 81 80 dd 1H J 19 83 | 71 70 d 1H J 83 | 50 49 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)O
ir: 1 1 2 2 4 2 1 2 4 6 6 3 4 3 4 8 5 7 7 11 30 78 63 13 8 5 6 8 6 8 8 12 11 10 19 16 19 9 12 33 56 9 7 2 3 3 7 12 8 5 4 4 3 2 2 3 4 2 2 2 2 4 4 6 7 3 3 4 8 7 5 2 3 2 2 4 8 17 31 6 7 3 4 3 2 3 4 5 8 7 2 2 2 2 2 3 3 4 3 2 2 2 2 2 3 5 5 3 4 3 4 10 6 3 3 3 3 4 5 4 15 5 8 38 13 4 3 3 3 2 3 3 3 2 5 7 4 4 2 3 3 3 21 77 26 26 26 30 10 4 3 9 12 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 4 2 2 3 2 7 5 2 20 11 11 24 36 16 5 2 1 2 4 3 2 100 67 10 5 1 0 2 2 1 1 3 6 10 12 16 23 14 10 8 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 77 d 1H J 93 | 73 72 m 3H | 72 71 m 2H | 43 42 m 1H | 27 26 tt 2H J 8 79 | 24 22 m 2H | 21 19 m 1H J 66 | 18 17 m 2H | 10 9 ddd 6H J 15 65 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CSc1cnc(NC(=O)N(C2CCCCC2)[C@@H]2CC[C@@H](COc3ccccc3)CC2)s1
ir: 1 2 2 2 1 2 4 3 2 7 13 8 6 7 3 5 3 8 17 16 52 26 11 13 4 5 4 8 4 3 2 2 3 1 2 3 2 2 2 12 31 11 29 25 15 12 7 10 2 5 2 2 3 6 3 11 3 3 2 2 2 4 2 2 2 3 7 3 4 8 3 1 3 5 4 4 14 21 15 12 6 5 4 2 7 6 3 3 4 5 2 2 3 2 1 2 3 6 7 4 3 9 3 2 3 3 2 3 3 3 4 9 5 16 6 4 5 3 2 3 4 5 14 4 5 3 1 4 3 5 2 2 3 2 2 4 3 1 2 3 3 5 12 27 6 4 6 19 17 9 4 15 100 7 4 0 2 3 2 5 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 3 3 4 3 5 3 6 3 4 3 6 28 6 10 11 9 3 3 1 2 2 1 1 2 11 2 2 1 1 2 2 2 2 3 2 2 8 3 8 23 34 6 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 82 82 s 1H | 73 72 m 2H | 70 70 tt 1H J 14 75 | 69 69 m 2H | 41 40 dd 1H J 60 116 | 39 38 dd 1H J 60 117 | 38 38 s 2H | 37 36 tt 1H J 48 75 | 33 32 p 1H J 61 | 20 18 m 5H | 18 15 m 8H | 15 13 m 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)N[C@H]1CCNC1=O
ir: 2 6 5 2 5 7 10 7 5 5 3 5 4 8 3 7 9 7 2 1 1 2 4 5 2 10 43 29 26 30 64 19 8 6 7 18 4 13 7 1 3 1 1 2 2 3 2 1 1 1 2 2 1 1 1 0 2 1 1 4 29 23 6 2 2 1 5 2 1 3 5 0 1 1 1 0 1 2 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1 1 2 2 2 2 5 5 1 1 1 1 1 2 4 8 2 3 4 3 6 4 3 17 22 7 9 11 16 12 11 6 14 18 17 22 16 17 8 12 4 2 1 2 1 1 1 1 1 1 3 9 24 74 72 2 8 32 18 9 25 28 15 4 2 2 2 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 2 1 2 1 1 1 2 2 2 3 5 12 6 7 29 6 2 2 1 1 1 2 1 0 1 1 1 1 3 2 2 3 3 3 1 1 2 3 2 10 21 92 100 35 16 7 5 3 2 1 2 1 1 0 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 63 63 t 1H J 29 | 61 61 d 1H J 73 | 42 41 dddd 1H J 18 28 46 73 | 34 33 m 1H | 33 32 m 1H | 22 21 m 1H | 20 19 m 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(Cl)ccc2c2ccccc12
ir: 0 2 4 2 0 6 17 3 1 2 6 5 2 2 3 2 1 3 4 2 1 3 4 1 15 5 3 2 3 3 6 9 2 4 3 2 2 3 7 10 7 4 5 40 7 4 3 4 100 3 2 1 2 4 4 24 6 4 2 0 3 5 4 2 3 5 3 3 16 33 11 2 7 9 2 1 4 6 4 2 3 3 2 3 5 3 2 1 6 5 4 9 8 3 1 2 3 3 2 2 3 3 1 3 3 3 1 3 4 3 1 2 4 2 0 13 2 4 6 5 3 2 2 5 4 2 3 3 3 29 28 6 6 4 3 4 9 6 3 3 11 18 7 6 6 7 4 7 6 2 2 4 7 7 4 9 7 3 13 11 3 2 7 17 5 2 2 3 4 9 9 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 3 2 2 3 3 2 2 3 3 1 3 4 3 17 10 14 35 59 58 32 11 8 5 4 3 3 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 85 dd 1H J 11 75 | 81 81 d 1H J 87 | 79 79 d 1H J 22 | 79 79 dd 1H J 13 87 | 76 75 td 1H J 13 78 | 75 74 m 2H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)N(CCCCc1ccc(OCCNCC(N)=O)cc1)C(=O)c1nc(Cl)c(N)nc1N
ir: 6 9 5 6 13 6 2 6 10 12 18 38 36 18 18 53 17 23 35 17 11 13 51 23 15 17 11 17 16 23 14 20 20 28 12 9 6 8 7 9 9 14 9 7 29 20 14 26 10 18 12 9 8 34 8 17 4 9 7 8 5 9 3 5 3 10 5 9 12 4 6 7 5 7 3 2 7 4 2 8 5 8 6 3 7 6 3 8 4 2 2 4 5 8 2 2 2 3 4 1 3 3 5 10 2 1 9 7 5 12 17 14 8 14 5 12 16 14 5 6 7 21 2 5 17 7 5 1 1 2 2 2 2 7 14 4 3 5 9 12 16 18 5 4 8 22 38 17 28 16 7 14 36 44 64 37 31 31 14 7 4 1 2 4 3 1 3 3 10 27 10 10 3 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 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 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 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 3 2 5 3 11 12 5 2 3 0 4 8 5 1 2 2 4 5 8 18 18 60 14 25 86 50 11 3 5 8 31 6 2 5 5 17 100 24 3 4 2 3 2 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 70 70 m 4H | 68 67 m 4H | 67 67 s 2H | 59 58 s 2H | 42 41 t 2H J 44 | 38 37 t 2H J 54 | 37 36 p 1H J 55 | 35 34 d 2H J 57 | 31 31 dt 2H J 44 56 | 27 26 tt 2H J 9 81 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(=O)CCCCCBr)cc1
ir: 9 5 0 7 11 5 2 7 10 5 0 6 9 6 3 13 10 5 6 15 22 40 20 12 19 14 14 30 16 5 21 16 15 3 4 10 8 24 32 18 17 20 12 16 8 2 7 9 7 3 8 10 7 21 25 100 58 9 7 9 11 39 28 19 9 0 10 10 4 7 21 10 4 1 6 9 3 2 6 7 4 1 7 7 2 2 8 9 5 3 10 8 2 5 11 7 5 6 16 9 1 4 11 12 5 14 21 24 20 17 40 43 18 44 36 18 7 23 41 18 18 10 24 26 26 39 45 22 13 22 30 23 12 11 11 7 16 12 12 6 23 64 76 32 18 10 12 3 6 8 23 23 30 13 18 5 4 9 7 2 4 8 6 8 8 7 5 1 4 8 4 1 4 8 4 1 4 7 4 1 5 7 4 1 5 7 3 1 5 6 3 2 6 6 3 2 6 6 3 2 6 6 2 2 6 6 2 3 6 5 2 3 7 5 1 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 4 1 5 7 4 1 5 7 3 2 5 7 3 2 6 6 3 2 6 6 2 3 7 6 3 3 6 6 2 3 8 7 7 8 8 7 8 27 13 10 6 10 9 11 9 35 56 45 49 35 62 66 6 18 12 6 2 6 10 4 4 6 7 3 2 5 7 3 2 5 6 3 2 6 6 3 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 1 4 7 4 1; 1HNMR: 79 78 m 2H | 77 77 m 2H | 35 35 t 2H J 46 | 29 28 t 2H J 82 | 19 18 tt 2H J 46 75 | 17 16 dtd 2H J 69 78 85 | 15 14 pd 2H J 9 74 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(CNC(=O)OC(C)(C)C)cc1
ir: 12 10 12 20 9 11 18 6 9 5 1 3 3 2 2 5 3 1 2 4 2 2 2 3 2 3 15 27 22 2 1 4 4 4 1 2 2 2 1 7 2 1 1 2 1 0 1 2 2 0 2 4 8 5 13 14 7 2 2 1 1 1 3 2 1 0 1 2 1 6 3 3 1 1 2 2 1 2 1 1 1 0 1 1 0 0 1 2 1 4 2 2 1 5 3 2 3 12 9 11 2 1 2 2 4 13 3 1 0 2 2 1 0 1 2 1 5 5 11 8 6 7 4 4 6 3 4 3 4 2 5 3 0 2 2 1 0 4 3 3 4 4 6 100 22 3 8 9 2 28 8 9 10 9 4 1 1 1 1 0 1 1 2 10 2 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 1 1 1 2 1 1 3 5 16 9 8 33 6 3 2 2 1 1 2 2 2 1 1 1 1 1 1 2 2 1 2 2 1 7 9 71 69 8 6 2 1 1 2 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 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dq 2H J 9 73 | 67 66 m 2H | 58 58 t 1H J 57 | 43 42 dt 2H J 9 55 | 37 36 q 1H J 49 | 28 28 d 3H J 48 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCN(CC(=O)O)S1(=O)=O
ir: 4 5 4 14 5 7 8 10 10 13 33 21 39 32 10 32 21 23 54 21 18 56 18 4 8 14 2 7 4 2 3 2 3 3 5 6 8 3 5 2 3 1 2 1 8 2 6 20 4 0 1 7 3 3 2 4 1 2 1 2 1 1 2 3 3 4 17 12 4 6 3 5 1 2 5 9 8 11 19 29 17 30 30 35 30 17 32 36 49 100 12 3 5 5 1 5 7 5 6 6 5 7 4 5 3 1 2 1 1 2 4 4 9 4 4 3 7 6 3 12 20 9 9 5 10 1 1 6 6 9 5 5 2 8 4 4 2 1 1 1 2 1 1 20 6 9 2 2 2 89 8 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 1 2 2 2 1 1 2 2 4 2 1 1 1 3 2 3 25 1 3 2 1 0 0 0 0 0 0 0 1 16 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 1H | 40 40 m 2H | 40 39 s 2H | 34 33 m 2H | 19 18 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Cc2cc(F)cc(Br)c2O1
ir: 2 1 2 3 1 3 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 1 2 3 1 1 1 1 1 1 1 2 1 6 11 2 2 13 2 1 1 2 3 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 8 22 8 4 10 100 9 4 1 1 1 2 1 1 1 2 1 1 1 1 1 2 2 1 1 3 16 7 8 2 4 2 28 7 2 2 2 2 18 2 0 15 2 2 2 2 2 2 1 2 2 1 1 2 4 11 21 6 2 2 2 4 7 3 4 13 19 26 2 2 2 1 3 61 2 1 1 2 1 1 1 2 2 1 6 2 2 1 1 2 1 4 6 2 1 1 1 9 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 1 1 2 1 2 5 3 2 4 3 1 3 5 1 1 5 3 4 5 9 29 21 31 26 78 10 6 4 9 2 1 1 1 1 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 73 72 dd 1H J 22 121 | 70 69 ddt 1H J 9 20 121 | 30 29 d 2H J 9 | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C)C(c2cccc(Nc3ncc4ccc(-c5cccc(S(C)(=O)=O)c5)n4n3)c2)C1=O
ir: 1 3 4 3 8 9 4 6 13 4 32 9 4 3 14 23 8 9 6 4 10 8 8 15 9 5 4 2 4 4 26 25 10 6 5 14 21 6 19 13 13 12 8 20 23 29 82 46 100 28 15 6 3 1 7 9 10 18 16 0 2 6 3 33 17 6 22 20 13 6 8 2 2 3 2 1 7 12 18 17 12 6 4 2 11 19 11 45 10 11 18 14 10 12 5 2 5 8 8 11 4 2 7 2 4 24 34 45 19 7 3 3 2 2 4 2 3 4 10 10 8 11 7 11 12 6 28 5 8 3 3 2 3 2 4 9 28 1 1 9 20 7 12 23 10 8 27 2 9 43 26 44 13 19 14 3 8 7 2 3 2 1 10 8 42 6 3 3 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 2 2 3 1 2 2 3 5 2 15 14 19 16 10 52 38 38 6 3 4 4 4 3 2 3 1 2 1 2 2 2 2 2 2 4 3 5 5 46 57 54 29 7 7 5 3 1 1 1 1 0 1 1 1 1 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 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 s 1H | 86 85 s 1H | 81 81 t 1H J 21 | 78 77 m 2H | 76 76 dd 1H J 69 83 | 75 75 td 1H J 7 22 | 75 75 ddd 1H J 14 22 79 | 74 74 t 1H J 80 | 74 73 ddt 1H J 9 21 85 | 66 66 d 1H J 54 | 65 65 d 1H J 55 | 47 47 m 1H | 36 35 m 2H | 33 32 ddd 1H J 44 65 110 | 32 31 s 3H | 31 31 ddd 1H J 43 62 113 | 30 29 s 3H | 24 23 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccc2ccc(=O)[nH]c2[nH]1
ir: 6 7 10 12 6 11 9 7 6 8 10 7 6 8 8 7 7 8 10 8 6 8 8 7 6 8 8 6 6 8 8 6 6 8 8 7 8 8 8 6 8 8 14 5 7 11 9 22 28 33 29 8 7 9 8 6 18 50 57 26 13 7 7 7 8 8 7 7 8 8 7 6 8 8 7 6 8 8 7 6 8 8 7 6 8 8 6 7 8 8 6 8 9 10 6 8 61 71 7 8 8 8 6 7 8 7 6 7 9 8 8 8 9 8 6 9 9 10 6 8 9 7 6 7 8 7 6 8 9 7 6 8 8 7 7 8 12 9 12 9 9 7 7 9 8 7 7 9 11 8 7 10 21 58 15 11 10 7 7 10 16 9 15 11 8 0 100 0 7 9 8 8 7 8 7 7 7 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 6 7 8 7 6 7 8 7 6 7 9 7 6 7 8 7 6 7 8 7 6 7 8 7 7 8 8 7 6 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 6 7 8 7 6 7 8 7 6 7 8 7 7 7 8 7 6 10 9 8 10 17 14 22 14 9 10 9 8 8 9 8 7 8 9 8 7 8 9 8 12 9 10 12 61 51 36 17 26 9 9 7 8 9 10 9 9 8 8 7 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 6 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 6 7 8 7 6 7 8 7 6 7 8; 1HNMR: 94 94 s 2H | 77 77 d 2H J 98 | 68 67 d 2H J 97
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.