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CC(N=[N+]=[N-])C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1
ir: 1 1 1 1 1 3 2 2 3 2 2 1 2 2 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 4 4 6 16 2 2 1 1 1 1 1 1 1 1 1 2 5 6 3 1 2 5 5 3 3 3 2 1 2 2 1 0 1 2 2 2 7 0 1 1 1 1 1 1 2 2 4 7 2 2 1 2 3 3 3 1 2 4 2 1 1 1 14 1 1 8 3 4 4 1 3 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 3 7 1 1 2 3 1 2 1 1 1 1 1 1 1 3 13 1 1 1 2 1 7 3 3 1 1 3 3 1 17 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 7 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 2 2 1 2 7 7 13 14 100 18 7 4 4 2 2 2 1 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 ddd 1H J 12 21 64 | 75 75 dd 1H J 64 72 | 74 74 m 1H | 74 73 ddt 1H J 10 21 73 | 72 72 m 2H | 71 71 dt 2H J 9 80 | 39 38 m 1H | 35 34 ddt 1H J 9 73 136 | 33 32 ddt 1H J 9 73 135 | 31 30 m 1H | 12 11 dd 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1
ir: 3 4 6 2 2 2 2 2 3 8 9 3 2 4 3 2 2 5 4 3 2 4 10 21 11 76 18 16 7 11 4 3 4 2 2 4 3 3 2 4 3 1 5 3 3 3 4 5 6 0 3 21 14 13 48 88 57 14 9 6 14 5 5 6 11 5 4 3 3 2 2 3 2 2 3 3 3 11 4 9 5 10 5 5 2 2 3 3 2 4 6 8 11 10 22 10 6 4 3 7 12 9 9 12 10 6 8 4 2 3 3 3 9 2 2 2 3 3 4 16 2 5 3 8 11 64 17 8 13 3 3 4 3 3 5 8 24 6 4 12 20 24 15 75 1 12 13 3 3 5 5 8 24 100 40 7 6 7 4 3 2 5 5 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 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 4 9 3 5 4 5 4 5 9 14 13 32 22 13 43 7 4 3 3 2 2 3 2 2 2 2 2 2 1 2 3 3 11 6 7 6 16 51 31 6 3 2 2 2 3 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 94 94 d 1H J 20 | 85 85 d 2H J 42 | 77 77 dd 1H J 51 86 | 75 75 dd 1H J 49 77 | 71 71 dd 1H J 8 86 | 71 70 t 1H J 41 | 68 68 d 1H J 49 | 32 31 m 1H | 20 19 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)c2cccc3ccccc23)CC1
ir: 16 7 7 6 2 6 5 5 1 4 3 7 8 4 1 3 4 3 5 3 1 2 4 8 5 13 53 17 21 11 14 8 5 6 3 8 14 14 7 10 17 8 9 7 11 40 12 2 4 5 9 1 3 3 2 2 2 3 2 1 2 3 2 2 1 1 1 2 3 2 1 1 1 1 4 7 2 3 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 5 8 5 4 4 7 3 3 4 8 7 23 8 4 7 6 4 10 4 5 6 7 2 4 7 5 8 13 11 6 10 8 10 8 12 15 15 16 10 6 5 13 8 6 6 6 5 10 6 15 43 98 100 35 35 42 17 7 6 3 3 1 1 8 2 7 7 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 3 6 3 4 2 4 4 5 5 19 32 12 14 58 26 17 4 5 2 0 2 2 1 1 2 2 2 2 1 1 4 4 3 2 3 7 33 76 21 18 10 4 2 2 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 80 80 m 2H | 80 79 dt 1H J 9 85 | 77 76 m 2H | 76 75 dddd 2H J 13 31 40 87 | 75 74 t 1H J 61 | 48 47 t 1H J 60 | 34 33 dt 1H J 58 128 | 33 32 m 2H | 31 31 dt 1H J 58 128 | 17 15 m 6H | 14 14 s 7H | 14 14 m 2H | 14 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=C1C2CN(C)CC1[C@H](C)C[C@H]2C
ir: 11 6 8 5 6 20 13 6 8 15 25 43 26 4 4 5 3 5 6 5 5 3 3 2 2 3 3 2 2 3 4 4 2 3 4 3 6 6 3 2 3 5 13 4 5 6 3 2 3 4 3 2 3 9 4 5 9 5 6 4 4 2 4 4 5 12 9 4 10 8 9 13 11 17 40 36 13 5 4 4 37 35 17 19 10 4 3 3 5 7 30 25 8 4 6 12 31 26 15 15 9 28 20 30 14 17 13 11 9 10 3 6 12 7 10 7 16 12 7 9 5 4 8 6 3 6 5 5 15 5 6 6 6 20 9 17 5 4 3 3 4 3 4 2 3 16 100 86 13 0 2 5 4 1 2 4 3 2 4 30 8 3 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 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 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 3 3 3 2 4 5 6 3 3 4 5 4 5 5 4 3 9 17 13 33 35 32 31 18 5 5 3 3 3 3 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 56 55 t 1H J 17 | 42 41 q 2H J 61 | 29 29 dd 2H J 42 103 | 27 26 dd 2H J 43 103 | 23 23 s 2H | 22 21 dtp 2H J 16 46 73 | 19 17 m 2H | 16 15 ddd 1H J 51 78 130 | 13 12 m 4H | 10 9 dd 6H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C/C=C/C#CC(C)(C)C)Cc1cccc(C=O)c1
ir: 4 6 6 6 5 6 5 4 4 4 6 6 5 6 5 4 4 5 4 6 4 5 5 5 5 6 4 6 9 8 51 13 7 6 4 4 4 6 10 7 6 8 11 8 21 41 15 46 14 12 8 5 5 4 5 6 6 4 8 10 18 11 6 6 4 9 20 6 11 8 4 3 6 11 11 13 23 7 9 5 7 10 7 6 5 7 16 35 9 50 2 5 8 7 6 4 7 7 7 12 15 13 6 5 42 10 19 5 5 4 3 4 5 4 4 4 6 6 7 10 9 11 5 9 12 22 10 9 20 16 9 9 12 5 6 5 5 5 5 6 17 43 6 4 3 4 5 0 100 1 3 6 7 3 3 10 5 2 4 5 4 2 5 6 4 3 4 5 4 2 4 5 4 2 4 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 4 4 5 10 5 7 4 5 5 7 7 5 4 6 5 9 10 20 100 19 76 17 8 7 8 4 4 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4; 1HNMR: 98 98 s 1H | 79 78 ddd 1H J 15 24 79 | 78 77 dq 1H J 11 26 | 74 73 m 2H | 58 57 m 2H | 37 37 d 2H J 9 | 33 33 dd 2H J 16 37 | 23 23 s 3H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CC2CCC(C1)N2C[C@@H](C)CN1C(=O)COc2cc(F)ccc21
ir: 3 4 5 6 10 5 6 4 3 7 9 3 4 3 3 3 5 9 29 7 13 6 7 5 1 2 2 1 4 7 31 3 1 4 7 3 15 5 8 2 3 3 2 1 2 3 4 8 3 3 3 3 3 11 16 22 100 11 13 10 3 6 6 14 4 4 33 45 11 19 7 6 7 6 12 9 4 2 4 29 13 6 10 5 3 3 3 2 4 18 7 14 4 3 3 3 2 3 2 9 10 5 3 7 5 14 11 17 16 15 12 10 3 5 5 3 3 6 4 14 25 6 25 14 9 18 15 11 5 8 2 3 4 2 3 5 3 3 2 3 3 1 1 2 1 2 2 3 5 6 73 10 15 33 11 6 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 9 7 5 5 5 7 4 7 20 21 13 18 78 30 44 14 0 2 3 1 1 2 3 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; 1HNMR: 73 72 dd 1H J 46 88 | 70 69 ddd 1H J 22 88 103 | 67 66 dd 1H J 21 122 | 48 47 s 2H | 42 41 dd 1H J 57 115 | 39 39 dd 1H J 55 115 | 32 31 tt 2H J 42 53 | 28 27 dd 1H J 60 112 | 25 25 dd 1H J 60 113 | 22 21 ddtd 1H J 16 59 75 132 | 20 19 m 2H | 18 17 ddd 2H J 55 71 124 | 17 15 m 5H | 14 12 m 6H | 10 10 d 3H J 75 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(C(C)C)cc2N)cn1
ir: 6 3 8 10 12 10 10 8 4 3 2 3 3 4 3 2 2 2 3 3 3 4 3 2 2 5 8 5 6 2 2 3 3 3 3 3 2 6 6 3 2 3 2 2 2 1 2 2 2 1 2 3 2 11 13 6 4 3 2 1 1 2 2 4 1 2 2 1 3 7 9 12 11 4 3 4 2 2 2 2 3 20 2 1 1 2 1 2 6 3 1 1 1 1 2 1 1 1 3 2 1 4 4 1 2 2 4 4 2 2 4 2 2 1 3 1 1 3 2 2 3 4 7 3 2 2 5 3 3 2 3 4 11 3 2 5 4 5 11 2 1 3 11 20 2 1 1 3 2 10 19 3 10 11 5 2 2 1 2 5 20 21 21 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 2 1 1 2 1 1 2 1 1 1 1 2 2 2 3 4 4 3 7 2 4 6 10 22 7 2 2 2 1 1 1 1 1 1 1 2 1 2 3 39 79 7 3 3 1 1 3 3 0 1 11 64 100 19 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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; 1HNMR: 86 86 d 1H J 19 | 80 80 dd 1H J 18 82 | 70 69 d 1H J 82 | 57 56 d 1H J 9 | 49 49 s 2H | 39 39 s 3H | 31 30 pd 1H J 9 61 | 13 13 d 7H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(CBr)nn1
ir: 3 5 4 4 3 4 17 4 4 4 4 4 4 4 9 4 11 6 4 4 4 4 4 3 4 4 14 4 4 4 4 4 5 6 4 11 4 4 4 3 4 5 4 4 4 7 6 4 4 4 4 6 28 54 51 8 5 4 4 4 4 3 4 5 4 1 100 0 4 5 4 5 7 5 4 3 4 4 3 3 4 4 4 5 4 5 12 8 5 8 13 8 5 5 5 5 4 6 22 69 40 5 2 4 5 4 6 22 7 8 2 17 5 4 3 4 5 4 3 6 9 6 4 4 5 4 3 4 5 3 3 6 8 7 92 13 4 5 5 4 3 5 8 27 5 3 3 4 6 24 18 6 5 5 5 6 8 36 23 6 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 6 6 8 8 5 4 4 4 5 5 6 23 12 17 67 31 15 9 7 8 6 4 3 4 4 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 76 75 dt 1H J 9 66 | 74 74 dq 1H J 21 65 | 45 45 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(COCc2cccc(Br)c2)on1
ir: 10 9 2 4 4 3 2 2 5 3 1 4 4 3 2 3 5 9 29 27 25 29 55 10 7 5 7 6 8 5 8 8 7 4 4 3 2 2 2 2 2 2 2 3 4 0 40 21 11 4 4 5 3 3 3 2 2 2 3 2 2 2 3 2 9 9 20 20 8 11 4 8 10 17 5 4 12 21 100 75 21 6 5 5 7 13 5 4 3 2 4 6 5 7 7 8 3 3 7 16 18 7 3 3 2 2 2 2 2 2 3 2 2 2 3 3 3 9 16 8 11 4 5 5 4 8 16 16 26 20 28 15 6 4 4 2 1 3 6 23 15 5 3 2 2 3 3 2 2 7 10 12 5 8 13 4 20 21 4 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 4 3 3 1 2 3 3 2 2 5 3 2 22 37 24 30 21 6 10 5 5 10 27 19 10 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 74 tt 1H J 9 21 | 74 74 ddd 1H J 15 22 78 | 73 72 m 1H | 73 72 t 1H J 78 | 69 68 t 1H J 8 | 49 48 d 2H J 7 | 45 44 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1c[nH]c2ncc(-c3cc(Cl)c(O)c(C(=O)O)c3)cc12
ir: 0 2 3 2 1 2 5 4 9 10 8 7 8 7 9 26 9 4 9 5 12 9 15 9 17 100 96 60 14 21 5 6 6 4 2 2 3 22 27 100 13 7 32 15 4 6 2 2 1 4 1 2 2 2 1 2 1 3 1 2 2 1 5 3 4 4 10 38 6 5 3 2 5 8 8 8 3 6 56 43 7 5 13 23 9 5 11 40 8 27 9 3 3 2 3 44 37 6 9 5 18 5 4 7 23 12 2 1 2 2 2 2 2 3 2 3 3 2 4 14 33 4 6 3 2 1 1 1 2 2 1 1 2 3 3 7 12 25 4 4 4 24 12 20 4 2 1 5 19 15 5 27 66 4 22 5 13 7 1 13 2 11 1 2 2 4 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 3 2 2 2 2 3 2 11 76 18 13 14 26 66 18 9 3 1 4 28 4 1 1 1 1 1 1 1 1 2 3 3 5 10 35 15 5 3 3 2 2 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 100 100 d 1H J 68 | 86 86 d 1H J 16 | 83 83 d 1H J 17 | 82 82 d 1H J 22 | 77 77 d 1H J 22 | 76 75 m 1H | 73 72 m 2H | 71 70 d 1H J 67 | 70 70 m 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(CC(=O)O)(Cc1ccccc1)C(=O)O
ir: 2 2 3 1 2 5 6 11 6 11 11 16 20 13 8 3 6 12 6 14 64 93 46 59 73 22 4 10 12 2 11 12 12 3 3 5 3 2 2 7 6 16 9 4 3 2 4 5 5 2 2 2 2 2 2 3 2 1 1 2 1 1 4 9 3 1 3 2 7 10 6 3 6 7 6 10 24 34 73 47 11 4 26 5 6 9 9 4 2 2 8 7 3 1 3 3 1 4 9 4 6 16 7 3 3 4 2 2 1 2 3 2 2 4 3 18 30 13 3 2 5 9 9 7 3 4 3 2 2 3 2 8 10 10 18 20 9 5 6 2 3 14 14 66 53 14 18 5 3 4 3 1 7 2 2 1 1 2 1 4 3 2 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 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 5 3 2 2 7 8 3 2 3 3 3 4 16 17 24 30 22 25 18 8 3 4 3 1 3 70 100 6 4 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 2H | 73 72 m 4H | 31 30 dt 1H J 9 138 | 29 28 d 1H J 178 | 28 28 dt 1H J 8 138 | 27 26 d 1H J 178 | 11 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1CCCCC1)Nc1ccc(O)cc1
ir: 4 2 8 4 6 6 17 8 14 6 14 20 18 10 7 4 0 6 5 10 2 3 5 8 8 11 12 11 15 11 14 6 8 10 16 21 58 11 9 6 1 13 17 2 6 11 8 6 20 18 14 11 27 35 48 76 55 28 9 6 4 2 3 4 2 2 1 2 3 15 3 1 3 5 1 5 6 7 14 28 64 57 51 14 3 10 4 8 6 13 45 9 11 5 4 3 3 2 2 6 6 4 12 21 100 9 2 13 4 6 6 17 11 6 6 5 5 3 3 5 7 5 3 3 3 2 9 7 3 2 1 2 2 1 2 2 5 3 1 4 5 5 20 27 10 43 27 26 9 50 55 33 21 6 10 5 5 0 1 2 2 0 3 13 4 0 1 2 1 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 1 1 1 0 0 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 3 2 1 2 2 2 2 3 9 13 5 5 3 3 4 3 6 6 4 28 27 13 32 72 15 6 11 4 6 16 24 14 5 4 1 3 3 1 2 2 5 6 3 12 21 50 79 76 16 7 4 6 4 3 1 1 2 1 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 s 1H | 77 77 s 1H | 73 73 m 2H | 67 67 m 2H | 24 24 d 2H J 73 | 20 19 tp 1H J 61 74 | 16 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cnc2c(n1)CCCC2
ir: 3 7 3 3 5 2 1 2 1 2 17 30 3 3 3 1 1 1 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 1 1 2 1 0 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 3 1 1 0 0 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 1 9 27 7 6 2 3 2 2 2 1 1 1 1 0 0 1 1 3 2 1 0 0 0 1 2 1 1 1 1 3 2 2 2 2 0 1 2 1 1 0 1 2 1 1 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 1 2 2 1 1 0 0 1 0 0 1 1 2 100 8 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 11 | 47 47 dd 2H J 8 60 | 35 35 t 1H J 60 | 29 28 m 4H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N1CCC[C@@H](Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1
ir: 0 4 6 33 9 5 3 2 5 3 1 1 1 3 1 1 1 3 1 2 3 11 11 5 6 9 6 4 4 8 5 3 2 3 5 6 2 5 14 9 10 23 35 43 16 3 4 5 4 1 12 3 1 3 2 2 1 3 13 2 1 1 2 2 1 1 4 5 10 69 8 6 2 5 7 3 2 1 2 3 3 3 3 2 3 13 20 54 8 5 1 1 2 2 2 2 3 4 2 2 4 4 4 10 28 16 6 12 4 4 1 1 2 2 2 1 3 2 1 2 5 6 1 13 9 2 1 2 3 3 6 5 7 5 13 42 18 6 68 13 3 9 3 3 2 1 2 2 3 12 4 5 7 53 15 5 4 1 1 2 5 1 1 3 7 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 2 1 1 2 2 1 3 17 7 20 15 10 11 100 5 5 3 3 3 1 1 1 1 1 1 1 1 1 1 1 2 6 2 1 2 4 4 8 39 11 4 3 3 4 1 3 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 s 1H | 79 78 dd 1H J 7 46 | 68 68 d 1H J 121 | 47 46 m 1H | 33 33 s 3H | 31 31 dd 1H J 19 118 | 30 29 m 2H | 27 26 m 2H | 21 20 m 1H | 18 17 m 2H | 17 16 m 1H | 11 11 s 8H | 11 10 m 2H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSC1CCN(C(=O)OC(C)(C)C)CC1
ir: 3 4 9 18 24 20 11 7 14 23 16 25 19 20 14 11 4 6 3 2 2 2 1 1 1 2 2 3 3 2 2 2 2 1 1 1 1 3 3 1 8 4 4 6 2 2 2 2 1 4 6 2 2 3 2 4 3 10 4 3 2 3 3 3 2 3 2 1 3 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 4 4 2 1 1 1 2 1 2 1 4 5 6 7 6 9 8 5 9 11 13 8 5 7 10 2 3 9 5 15 12 22 36 34 28 13 15 10 13 13 6 6 10 12 10 7 12 11 6 6 14 19 18 2 2 2 2 1 2 1 1 1 2 3 3 43 100 3 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 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 0 1 1 1 1 1 1 2 2 3 2 7 3 6 6 4 4 10 7 4 5 19 9 8 48 48 25 5 2 1 3 1 1 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 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 38 37 ddd 2H J 50 78 126 | 34 34 ddd 2H J 50 78 124 | 30 29 p 1H J 44 | 25 25 t 2H J 55 | 21 20 dddd 2H J 44 51 79 120 | 18 18 m 2H | 16 15 qt 2H J 54 70 | 15 14 s 7H | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cnc2ccc(Br)cc2c1Cl
ir: 1 1 2 3 3 8 1 2 23 3 2 1 1 1 2 1 7 3 2 3 2 2 2 1 1 1 1 1 4 2 1 1 1 1 1 1 7 3 2 1 1 1 1 1 1 1 1 1 5 2 2 5 1 2 6 0 60 3 3 2 4 3 2 1 1 5 5 32 4 2 2 2 2 1 2 3 2 1 2 1 2 2 5 2 6 81 3 2 1 3 10 26 1 2 7 2 1 1 2 1 1 2 18 3 3 3 21 9 3 3 1 3 1 1 2 1 1 3 4 4 6 15 4 2 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 8 1 1 1 1 2 13 100 15 4 6 4 5 1 1 5 4 2 16 4 1 1 1 1 2 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 1 1 1 1 1 1 1 2 2 4 4 6 10 17 17 14 18 8 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 s 1H | 84 84 d 1H J 27 | 80 79 d 1H J 84 | 77 77 dd 1H J 26 82 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
ir: 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 5 8 6 4 10 17 44 8 11 5 2 3 6 3 3 4 6 6 4 7 6 7 3 4 3 4 46 14 8 5 3 9 13 4 6 2 3 3 0 6 42 8 6 2 2 2 2 2 2 2 3 3 3 4 9 2 2 4 3 3 4 9 11 6 4 2 2 3 4 3 5 8 3 3 2 2 2 2 2 3 23 2 2 6 4 12 3 3 3 5 4 2 2 2 2 5 4 17 3 1 5 8 4 2 1 2 2 2 3 2 6 7 3 3 3 2 2 2 2 2 14 6 6 20 5 3 3 3 3 6 4 47 48 6 7 5 2 6 8 3 3 2 2 3 3 3 2 3 2 2 2 2 1 2 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 3 2 4 7 16 30 16 6 3 3 3 4 2 4 36 100 47 8 3 1 2 3 2 1 3 3 2 3 3 7 8 16 6 3 2 2 2 2 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 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; 1HNMR: 96 96 s 1H | 81 81 t 1H J 21 | 79 79 m 2H | 78 78 m 2H | 77 77 q 1H J 13 | 77 77 m 2H | 76 76 m 2H | 76 75 m 1H | 75 74 t 1H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)c2cn(Cc3cccc(C)n3)c3nc(C)c(C)cc3c2=O)cc1F
ir: 0 3 4 2 7 8 5 1 3 6 6 2 1 2 4 2 3 3 4 4 3 6 3 2 2 9 3 4 1 4 7 1 9 6 14 6 5 4 4 10 7 5 6 1 12 23 57 10 35 100 39 38 7 6 5 13 5 6 3 4 2 5 3 3 7 10 4 8 8 14 3 3 2 3 4 5 7 7 3 2 8 12 5 1 3 2 0 1 3 12 1 4 3 6 9 9 5 5 6 3 7 6 4 8 9 5 5 3 3 2 0 1 2 3 1 4 3 4 1 10 8 9 6 11 9 9 19 19 10 3 7 7 3 4 4 7 8 83 19 11 17 14 7 6 21 9 91 7 4 3 29 7 29 9 26 64 19 5 2 4 33 23 7 9 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 2 3 2 1 3 4 4 2 2 2 5 7 10 9 32 65 48 19 11 18 5 3 2 2 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 t 1H J 9 | 82 81 s 1H | 80 80 dd 1H J 22 97 | 79 78 dd 1H J 21 121 | 75 74 t 1H J 76 | 72 71 dd 1H J 47 97 | 71 71 dq 1H J 9 76 | 70 70 ddd 1H J 9 16 83 | 52 52 t 2H J 9 | 39 39 s 3H | 25 25 d 3H J 7 | 24 24 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CNC1
ir: 2 2 3 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 2 3 2 2 3 2 3 1 5 1 2 2 1 1 2 3 3 16 24 5 4 4 2 3 2 2 2 2 1 1 8 20 5 2 1 4 3 2 1 1 3 2 1 4 3 2 2 2 1 1 1 1 1 1 1 3 2 1 2 4 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 3 2 2 1 1 1 4 22 5 1 3 1 1 1 3 1 0 1 1 2 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 6 5 2 1 1 1 12 4 0 100 0 2 72 3 3 2 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 2 2 15 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 8 28 4 2 1 1 1 1 1 2 3 14 14 3 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 s 1H | 73 73 d 1H J 7 | 67 67 s 2H | 58 58 m 1H | 39 39 s 3H | 35 35 m 3H | 33 32 m 2H | 27 26 s 3H | 22 22 m 1H | 18 18 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOC1CCC(=O)CC1
ir: 3 4 3 2 1 1 3 5 14 14 4 5 12 9 9 8 5 2 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 1 6 5 1 1 1 2 2 1 0 1 3 2 2 2 3 3 5 4 12 11 10 9 8 3 3 1 1 4 6 4 15 7 12 4 3 2 3 15 4 6 7 8 2 1 1 1 0 1 1 2 5 2 1 1 1 3 2 2 3 5 3 3 2 1 1 1 1 0 1 1 3 3 3 11 11 14 3 2 2 3 3 8 8 9 20 100 75 9 7 5 7 4 4 2 1 1 0 1 1 1 1 2 2 2 3 10 42 45 6 2 3 3 2 2 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 0 0 1 0 1 1 0 1 1 1 1 1 2 2 2 6 5 10 3 4 4 2 2 2 20 70 5 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 39 38 p 1H J 49 | 37 36 t 2H J 50 | 35 35 t 2H J 50 | 34 34 s 2H | 26 25 ddd 2H J 59 86 147 | 25 24 ddd 2H J 59 86 148 | 21 20 dddd 2H J 49 60 88 136 | 18 17 dddd 2H J 49 60 86 136
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](CCN)c1ccccc1
ir: 8 10 6 5 4 6 6 4 3 3 2 2 3 3 2 2 3 3 3 4 3 2 2 4 6 17 15 35 18 32 26 24 20 13 6 2 2 7 5 21 28 7 27 5 2 4 5 9 25 19 15 9 10 20 8 9 3 0 2 6 8 7 6 3 3 3 3 4 4 9 18 100 77 23 7 7 5 9 6 3 1 17 18 3 2 2 2 2 1 14 7 2 3 3 3 2 4 4 9 5 3 2 1 2 2 2 1 4 11 8 11 6 2 4 5 6 3 5 11 12 15 7 7 4 9 7 7 10 9 23 38 27 11 20 36 24 16 9 5 3 2 6 32 23 11 54 13 9 8 24 29 3 3 4 3 0 1 2 2 0 1 2 1 0 2 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 2 3 2 2 3 2 2 3 3 5 4 6 9 10 4 16 36 42 10 3 3 2 1 2 3 3 3 4 6 18 14 24 25 3 3 4 7 16 45 71 33 32 10 10 4 2 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 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 72 m 6H | 50 50 d 1H J 79 | 50 49 ddd 1H J 52 61 79 | 30 29 dtt 1H J 49 62 132 | 29 28 m 1H | 27 27 t 2H J 62 | 21 20 ddt 1H J 50 59 156 | 18 17 ddt 1H J 50 59 156 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)O)cc1Oc1ccc(Cl)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C
ir: 0 1 1 1 0 1 2 1 1 5 4 2 3 4 2 1 1 1 2 3 18 17 7 3 3 2 1 1 1 0 0 1 1 6 1 1 1 1 1 1 0 3 2 2 2 1 1 1 1 1 0 1 1 0 7 5 1 1 1 1 0 0 0 2 1 1 1 2 2 6 1 2 1 1 1 1 1 4 1 5 6 3 2 2 1 3 2 4 11 4 2 2 1 1 1 1 0 1 2 1 1 2 5 2 1 1 1 0 0 0 0 1 1 1 3 1 1 1 2 4 1 1 1 2 2 1 3 2 0 1 2 0 1 2 6 4 2 1 1 0 1 1 3 8 30 3 2 0 2 3 7 7 5 0 3 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 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 1 1 1 1 0 1 0 0 1 2 4 4 3 10 30 14 5 1 0 1 1 1 1 100 28 7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 3H | 74 73 m 2H | 74 73 m 1H | 73 73 dt 1H J 9 24 | 73 72 dd 1H J 24 88 | 70 69 ddt 1H J 9 17 85 | 69 68 dd 2H J 16 86 | 67 67 dt 1H J 8 17 | 55 54 d 1H J 28 | 49 49 dd 1H J 9 137 | 46 46 dd 1H J 9 137 | 39 39 s 2H | 39 38 qd 1H J 29 70 | 36 35 t 2H J 8 | 12 12 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(F)cc[nH]1
ir: 25 25 25 25 25 25 25 25 25 29 26 25 25 42 26 24 30 25 25 25 25 25 25 25 25 25 25 25 25 42 25 25 25 25 25 26 25 25 25 26 26 25 27 100 30 31 26 24 25 27 25 24 25 28 27 26 27 26 25 24 25 26 25 29 25 25 34 91 28 26 26 25 26 27 25 39 29 26 25 24 25 26 25 27 28 26 25 25 26 25 25 25 25 30 27 25 26 25 24 25 26 26 24 25 26 25 24 25 26 25 24 25 26 25 24 29 27 25 24 25 26 29 24 25 26 25 25 27 37 25 25 26 26 25 24 26 26 24 24 29 37 26 25 26 27 25 25 30 44 24 24 27 28 28 44 44 27 21 24 32 27 11 35 0 22 33 26 21 25 28 25 23 25 27 25 24 25 26 25 24 25 26 25 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 26 25 26 27 26 27 26 55 27 25 26 32 25 25 25 25 25 25 26 25 25 25 25 26 25 27 26 26 28 48 42 46 29 25 25 25 25 25 27 25 26 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25; 1HNMR: 78 77 ddd 1H J 49 62 77 | 61 61 dd 1H J 13 84 | 58 57 ddd 1H J 13 77 231
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC=NS(C)(=O)=O
ir: 17 29 19 31 7 2 2 1 1 1 2 1 0 1 2 1 1 2 4 4 7 5 4 4 5 3 2 0 1 1 1 0 0 1 9 2 4 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 2 31 19 2 1 5 3 6 6 7 3 2 2 2 1 0 2 4 4 18 26 12 6 4 3 6 6 3 2 2 2 3 43 78 100 61 20 19 6 7 2 1 2 1 2 1 2 2 1 2 2 9 15 18 7 2 2 4 13 6 88 54 32 25 16 6 1 6 11 6 4 2 3 1 2 1 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 0 1 1 1 1 0 3 2 1 1 9 40 72 40 15 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 3 2 2 1 2 1 1 1 2 2 1 2 6 10 4 10 7 16 2 4 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 75 74 t 1H J 9 | 39 39 qd 2H J 9 61 | 32 32 s 2H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1C2CC3CC1CC(c1nnc(C4CC4)n1C1CC1)(C2)C3
ir: 2 8 14 11 3 10 18 8 0 12 23 33 7 28 33 39 30 17 14 6 8 12 13 8 6 8 15 13 15 19 18 16 28 14 21 16 39 61 39 23 31 70 59 15 24 20 14 10 8 12 12 4 10 17 21 13 21 46 26 15 10 12 7 3 10 11 6 5 9 12 18 11 10 10 15 21 12 13 7 8 22 17 8 10 17 31 14 54 54 26 13 10 16 17 7 13 24 26 14 16 17 15 11 12 24 20 21 19 40 39 34 43 76 31 10 22 13 9 2 9 34 65 22 9 16 33 9 100 46 22 8 17 17 17 16 9 56 51 38 22 14 16 22 74 72 15 16 14 21 55 45 51 47 17 25 19 12 8 8 13 12 20 9 12 8 1 6 12 7 2 6 11 6 2 7 11 6 3 7 10 6 2 8 10 6 3 8 10 5 3 8 9 5 4 8 9 4 4 8 9 4 4 9 8 4 4 9 8 4 5 10 8 4 6 10 8 3 6 10 8 3 6 11 7 2 6 10 7 3 6 11 6 3 7 10 6 3 8 10 6 3 8 10 5 4 8 10 5 3 9 10 5 4 9 9 5 5 10 10 5 5 10 8 4 5 9 8 3 6 11 10 6 9 18 13 11 18 43 20 7 42 81 91 16 82 100 62 99 42 60 63 31 21 29 18 7 10 13 8 6 10 11 8 8 10 9 6 5 8 8 5 4 8 8 4 5 8 8 4 5 8 7 4 5 9 7 4 5 9 7 3 6 9 7 3 6 9 6 3 6 10 6 3 6 9 6 3 6 9 6 3 7 9 6 3 7 9 5 4 7 9 5 4 7 8 5 4 8 8 5 5 8 8 5 5 8 8 4 5 8 7 4 5 9 7 4 5 9 7 4 6 9 7 3 6 9 6 3 6 9; 1HNMR: 43 42 p 1H J 42 | 28 27 p 1H J 58 | 21 20 m 5H | 21 21 s 4H | 18 17 m 8H | 15 14 m 2H | 12 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCc2cc(NC(=O)OC(C)(C)C)ccc2O1
ir: 8 12 13 6 4 5 7 4 2 4 5 3 4 7 4 2 2 2 1 2 2 2 6 6 2 3 3 3 6 4 7 16 40 4 8 7 5 13 7 8 5 2 2 3 2 1 2 2 2 1 3 3 3 7 31 28 9 4 2 3 2 3 4 5 3 2 9 3 2 4 2 2 3 3 4 12 3 2 2 2 1 2 1 1 2 3 0 51 12 1 12 3 2 2 3 3 3 5 4 10 6 3 3 7 7 5 11 8 4 10 10 4 2 6 4 2 1 3 4 5 12 9 5 14 4 6 13 19 14 22 9 4 9 2 2 2 3 1 1 3 3 1 4 10 100 63 32 2 3 15 40 25 6 7 15 5 9 3 2 0 1 3 4 9 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 3 3 3 3 3 3 7 4 3 2 3 3 4 3 19 28 11 16 64 20 3 6 5 2 1 2 3 3 1 2 2 2 1 2 2 1 2 2 2 3 3 9 48 31 5 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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: 73 73 m 2H | 69 68 s 1H | 68 68 m 1H | 49 49 tt 1H J 53 64 | 42 41 q 2H J 66 | 30 29 m 2H | 28 27 dddd 1H J 7 60 86 145 | 27 26 dd 1H J 64 168 | 23 22 dddd 1H J 53 60 88 140 | 20 19 m 1H | 15 14 s 7H | 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.
CN(C)C1CCN(c2ccc(-n3ccc(COc4ccc(Cl)cn4)cc3=O)cn2)C1
ir: 3 2 4 9 5 2 0 2 4 5 5 3 4 2 2 3 2 4 5 3 1 1 1 2 3 2 1 3 9 3 2 1 2 5 28 21 40 7 7 7 8 15 5 5 2 2 2 2 2 2 3 4 22 34 25 8 3 3 2 2 10 2 3 3 3 14 10 12 30 15 9 8 1 1 1 2 0 2 2 2 1 2 2 2 1 2 7 12 5 19 5 13 9 10 6 7 2 3 6 5 1 1 3 3 2 1 2 1 1 5 5 2 4 4 4 5 0 2 9 8 0 2 6 6 3 3 2 2 3 4 3 3 2 3 4 5 11 18 3 11 33 21 4 0 0 3 3 8 16 8 13 21 4 11 4 17 5 6 18 51 5 100 10 5 3 0 1 1 1 0 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 3 1 1 1 1 2 2 4 6 4 13 15 18 25 11 6 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 81 dd 2H J 19 81 | 80 80 d 1H J 73 | 78 77 dd 1H J 19 87 | 75 75 dd 1H J 20 82 | 69 68 m 2H | 67 67 d 1H J 82 | 66 66 q 1H J 13 | 50 49 m 2H | 40 39 m 1H | 37 36 m 2H | 35 34 ddd 1H J 50 69 135 | 31 30 ddtt 1H J 16 33 48 64 | 23 23 d 6H J 15 | 22 21 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccn2c(C3CC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
ir: 7 8 5 5 10 6 5 9 3 4 2 6 2 3 7 4 7 11 7 5 3 3 6 6 4 4 19 20 11 19 4 3 5 4 4 3 4 2 2 8 16 7 5 6 2 3 2 8 4 4 3 4 2 2 10 21 11 2 2 1 1 1 1 1 2 2 5 2 11 2 2 3 1 1 2 1 1 1 2 2 8 5 2 2 3 3 2 3 4 1 1 1 7 5 2 3 2 1 0 1 0 0 1 0 0 0 0 0 0 1 0 2 1 1 1 1 1 1 1 4 3 4 1 2 3 4 4 3 1 1 1 1 1 11 3 19 21 5 2 1 1 6 7 10 4 5 4 2 16 41 15 17 43 19 5 54 13 3 3 2 12 2 2 3 1 1 0 1 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 2 2 2 1 2 4 14 12 19 8 9 8 4 3 1 1 0 1 1 1 1 1 1 1 3 20 10 2 1 1 0 1 1 1 1 1 2 6 100 12 2 1 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 66 | 77 77 m 2H | 74 73 m 2H | 73 72 s 2H | 71 71 m 2H | 71 70 m 4H | 28 28 p 1H J 50 | 12 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC/C=C/C=C/CCCC(=O)O
ir: 2 2 2 3 3 2 2 3 5 2 3 3 4 4 3 3 2 3 6 11 24 25 26 9 8 6 3 2 2 2 1 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 2 1 2 2 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 3 4 5 7 11 31 38 15 13 3 3 2 2 3 2 1 1 2 2 2 1 2 2 2 2 4 3 2 2 3 2 1 1 2 1 1 2 4 5 9 6 3 3 3 4 5 5 11 7 5 7 7 5 4 3 2 2 1 2 3 4 2 2 2 2 2 2 6 8 19 42 17 15 10 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 2 4 3 2 2 3 3 5 16 12 24 8 3 3 4 2 0 2 5 6 0 100 52 9 10 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 58 57 m 1H | 57 56 dtq 1H J 8 71 150 | 55 54 ddq 1H J 12 86 152 | 54 53 ddq 1H J 11 86 150 | 24 23 t 2H J 90 | 23 22 tdt 2H J 12 57 81 | 19 17 m 4H | 13 12 hd 2H J 9 72 | 9 8 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)Cc1c(O)cccc1Cl
ir: 0 4 11 7 8 3 5 4 0 7 11 4 3 3 6 6 6 2 2 2 1 3 3 2 1 1 2 4 2 3 1 1 0 1 1 0 6 7 3 0 1 1 2 1 6 32 54 14 12 13 4 1 2 2 2 1 1 2 1 2 1 0 14 15 22 8 6 5 6 3 2 2 3 5 3 0 4 9 4 5 10 23 31 100 39 11 27 63 18 3 7 9 39 23 8 7 4 5 3 4 2 2 1 4 3 2 2 1 1 1 1 4 5 0 0 0 1 1 1 2 2 1 1 2 2 1 1 1 4 3 1 1 1 0 0 1 2 8 10 19 7 2 1 1 1 0 1 2 0 0 1 2 1 0 1 31 46 11 1 0 0 1 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 1 0 0 0 0 0 0 0 1 1 0 0 0 0 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 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 3 4 2 11 40 55 7 2 2 2 4 5 13 22 5 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 67 67 m 1H | 66 66 s 1H | 39 38 s 2H | 23 23 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2c(SC(=O)Cc3ccccc3)cccn2c1=O
ir: 1 2 5 3 6 4 6 2 0 2 3 10 0 3 8 2 3 2 5 4 0 3 3 1 4 3 4 2 5 7 6 6 8 14 47 8 5 7 7 3 3 18 6 2 6 13 100 9 4 3 4 4 3 4 2 1 4 8 1 0 1 3 1 1 2 12 2 2 5 5 5 3 3 4 3 2 5 5 2 1 2 3 3 6 11 4 2 1 10 4 9 10 11 3 1 1 2 2 12 2 3 2 0 1 3 2 0 1 3 8 1 2 6 7 4 5 5 3 7 6 6 2 2 3 3 2 1 2 4 1 0 4 12 88 10 34 4 17 2 10 5 14 36 21 5 24 9 5 2 4 7 43 8 1 2 3 4 2 1 4 3 1 2 6 5 2 1 3 2 0 1 3 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 2 3 2 1 3 3 3 8 8 14 15 61 15 25 65 19 5 4 3 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 89 88 dd 1H J 13 70 | 89 88 s 1H | 76 76 dd 1H J 14 65 | 74 72 m 5H | 70 70 t 1H J 68 | 43 43 q 2H J 71 | 40 40 t 2H J 8 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(SC(=O)OC)CCCN(C(=O)OC(C)(C)C)C1
ir: 17 11 8 7 7 18 12 21 12 22 34 18 5 28 3 9 7 8 3 3 3 2 2 3 2 1 1 1 3 2 1 1 1 1 1 1 1 4 5 7 2 1 1 1 2 1 1 4 5 9 5 4 3 4 2 1 2 4 9 23 3 3 4 2 1 3 3 1 1 1 1 4 4 4 6 3 3 28 17 6 2 1 1 2 1 3 6 5 0 2 1 6 6 5 4 2 4 13 18 31 36 6 2 6 13 7 4 6 4 9 15 39 42 30 10 7 49 24 5 21 9 21 55 44 22 8 6 31 11 24 18 17 5 7 6 7 16 8 6 57 40 5 4 8 30 90 10 3 3 6 10 100 1 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 5 7 3 2 3 3 12 3 8 1 4 9 10 9 84 16 8 7 4 3 2 2 2 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 45 44 d 1H J 121 | 43 42 m 3H | 39 38 s 3H | 37 36 ddd 1H J 36 62 123 | 35 35 ddd 1H J 36 62 121 | 24 24 ddd 1H J 48 74 130 | 22 21 ddd 1H J 48 76 132 | 21 20 m 1H | 19 18 m 1H | 15 14 s 8H | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1n[nH]c2cc(/C=C3/C(=O)Nc4ccccc43)ccc12
ir: 11 8 12 7 11 12 11 6 12 30 84 35 16 8 3 7 10 19 5 12 16 4 3 16 30 12 4 8 6 7 8 18 28 18 24 21 33 35 47 11 17 78 42 48 8 19 44 73 15 5 6 8 5 6 15 21 18 7 6 6 4 2 4 6 6 3 6 13 16 9 8 9 6 4 7 8 3 1 4 5 2 2 6 9 2 5 8 7 2 2 5 5 2 15 13 19 21 18 3 6 7 5 3 6 12 8 6 20 24 13 42 25 3 3 6 4 1 7 55 95 4 10 12 7 7 11 18 18 10 28 34 14 2 6 16 14 3 6 22 10 2 6 14 5 3 6 5 2 3 9 14 35 22 16 22 13 7 17 73 97 16 26 25 1 3 9 5 0 3 6 3 0 3 6 3 0 3 6 2 1 3 5 5 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 1 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 3 1 2 4 3 1 3 4 3 2 3 5 4 4 5 10 15 17 38 33 38 31 11 8 4 2 5 6 4 3 4 5 3 3 5 7 5 4 5 4 7 14 40 100 74 33 28 40 13 3 7 5 1 3 6 4 1 2 5 4 1 2 5 3 1 3 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1; 1HNMR: 82 81 m 2H | 79 79 dd 1H J 12 77 | 76 76 d 1H J 21 | 75 74 dd 1H J 21 77 | 73 73 td 1H J 12 73 | 72 71 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(c1ccc(OC[C@H](O)CO)cc1)c1ccc(OC[C@H]2CO2)cc1
ir: 10 11 14 21 23 25 36 30 54 19 7 18 8 12 8 6 12 12 6 7 7 6 5 2 3 3 2 2 4 6 3 6 6 6 7 11 18 7 9 2 3 2 3 6 3 5 2 3 2 1 3 3 3 27 49 56 20 13 6 7 5 10 5 11 15 7 10 14 4 17 14 4 5 5 6 6 3 6 4 4 1 0 6 7 4 15 61 35 44 84 36 10 15 10 5 8 4 5 4 2 1 2 1 4 3 3 2 3 4 2 2 1 2 4 5 4 1 4 2 4 3 5 5 5 6 3 3 5 4 5 8 7 11 4 3 1 0 1 1 0 0 1 1 0 0 3 5 3 10 85 28 6 9 15 19 3 3 1 1 2 1 1 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 0 1 1 2 1 2 4 2 1 2 2 2 4 4 6 19 17 36 91 37 6 10 0 4 11 25 94 100 23 6 5 2 1 1 2 0 1 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 1 2 1 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 71 m 4H | 68 68 m 4H | 42 42 dd 1H J 40 117 | 40 39 m 3H | 38 37 ddd 1H J 52 59 113 | 37 36 m 2H | 36 35 m 2H | 34 33 qd 1H J 28 39 | 31 30 dd 1H J 37 77 | 27 27 dd 1H J 27 76 | 16 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(NC(=O)OC(C)(C)C)oc2cc(C3CCN(C)CC3)cnc12
ir: 3 2 3 7 2 2 1 7 4 4 10 6 4 3 1 1 0 1 1 0 0 1 2 2 1 0 0 0 7 0 1 2 1 0 0 1 3 3 12 2 1 1 2 1 1 1 1 2 1 2 6 12 11 100 40 2 3 4 3 7 2 7 2 1 2 3 3 11 7 1 2 2 2 3 3 8 2 2 1 1 4 1 1 0 0 1 0 1 2 3 2 1 1 2 2 3 3 11 11 12 2 2 1 1 1 7 1 1 2 3 1 2 2 2 1 4 1 2 2 4 4 4 4 21 5 5 1 5 1 6 2 5 1 1 11 5 2 0 0 1 1 1 2 27 5 2 0 2 3 44 15 9 2 3 6 1 1 0 8 60 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 3 1 1 1 1 1 1 1 2 1 1 3 3 16 1 2 7 5 4 3 1 0 1 0 0 0 0 0 0 0 0 1 2 1 0 1 1 2 6 7 25 14 14 4 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 84 83 m 1H | 74 73 dd 1H J 7 16 | 44 43 q 2H J 64 | 30 29 m 3H | 26 25 ddd 2H J 58 85 119 | 24 23 s 3H | 22 21 ddt 2H J 59 86 126 | 20 19 ddt 2H J 59 86 128 | 15 14 s 8H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)c1ccc(N)c(Cl)c1
ir: 12 14 12 10 9 9 20 12 3 5 7 13 2 4 4 2 4 2 2 3 1 1 1 1 1 1 1 1 1 1 3 1 1 2 2 5 14 5 2 3 2 3 2 2 1 3 2 1 1 1 1 2 2 8 24 6 2 4 1 1 1 1 1 1 1 2 8 3 4 4 2 1 2 2 2 3 7 9 3 1 1 1 1 1 1 3 4 2 1 2 6 3 2 2 1 2 2 7 2 4 6 2 1 1 1 1 1 1 1 1 1 2 14 2 4 2 2 6 2 2 2 2 8 2 1 2 1 2 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 3 25 3 2 1 1 3 4 2 4 8 6 16 26 9 4 1 2 4 23 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 6 3 10 17 10 2 1 1 2 1 1 1 1 1 1 1 1 0 1 2 0 5 50 0 1 1 0 0 1 1 1 1 7 14 100 5 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 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; 1HNMR: 75 74 dd 1H J 7 22 | 72 72 ddd 1H J 7 22 79 | 68 68 d 1H J 79 | 42 41 qd 2H J 34 63 | 41 41 s 2H | 38 38 m 1H | 15 14 d 3H J 75 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1cc(C(=O)C(F)(F)F)c2c(Cl)ccc(OC(F)(F)F)c21
ir: 3 1 2 2 2 2 3 2 2 3 1 1 1 2 1 1 1 1 1 2 1 4 1 1 1 1 1 1 1 1 5 2 1 2 2 3 4 15 5 3 4 4 2 35 2 3 2 0 1 1 1 0 2 17 12 7 4 2 2 1 3 1 2 2 2 4 5 8 9 4 7 2 1 1 1 2 9 4 5 1 1 1 1 1 1 2 2 4 11 3 1 1 2 2 1 3 6 34 19 62 12 100 27 4 4 8 3 1 0 1 2 2 1 5 6 2 2 11 3 1 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 1 14 18 6 3 4 1 1 1 10 1 1 1 1 12 1 1 1 2 3 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 2 1 1 1 2 6 10 6 11 12 5 7 12 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 9 | 74 73 d 1H J 79 | 72 72 d 1H J 79 | 42 42 td 2H J 9 37 | 37 37 t 2H J 37 | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1OC(C)C)C[C@@H](C1CCN(CCc3ccccc3)CC1)O[C@H]2CNC=O
ir: 7 9 6 2 5 4 3 7 7 7 9 11 4 4 4 3 3 5 4 3 2 3 5 10 12 79 16 5 5 7 30 6 11 3 4 3 7 13 21 9 46 14 4 6 4 5 2 3 3 4 2 3 2 5 20 11 4 3 3 1 2 3 2 3 4 3 4 12 15 15 8 15 6 5 7 20 12 13 10 13 37 5 18 7 3 6 15 6 3 11 2 2 4 3 3 7 4 8 6 12 10 7 6 4 15 23 10 4 8 4 5 6 9 6 3 4 4 6 4 16 18 36 14 21 12 5 4 7 10 12 7 8 7 3 6 11 4 2 4 7 10 45 37 56 17 12 9 4 2 3 2 5 3 7 4 48 5 1 2 5 3 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 2 2 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 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 2 1 1 3 3 2 3 3 4 7 3 4 6 5 4 10 9 12 25 40 24 55 51 11 7 4 2 2 2 3 2 3 1 1 1 1 2 2 4 4 5 6 10 12 13 11 100 22 4 3 2 1 1 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 dt 1H J 9 60 | 73 73 m 2H | 73 72 m 1H | 72 72 m 2H | 71 70 m 2H | 69 69 m 1H | 51 50 m 1H | 47 46 hept 1H J 55 | 39 38 m 2H | 37 36 dddd 1H J 9 44 64 134 | 30 29 dd 1H J 41 162 | 29 29 ddd 2H J 58 84 120 | 29 27 m 4H | 28 27 s 3H | 22 22 d 3H J 11 | 20 19 dp 1H J 56 70 | 18 17 ddt 2H J 56 84 124 | 16 15 ddt 2H J 56 84 125 | 13 13 dd 6H J 7 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CON1C(=O)c2ccccc2C1=O
ir: 2 4 6 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 2 1 2 2 5 27 14 6 7 2 2 4 5 4 4 6 11 76 5 8 3 2 3 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 1 4 2 2 2 6 3 2 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 10 2 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 4 8 3 4 3 1 1 2 1 2 5 21 9 12 9 7 2 1 1 7 2 1 5 18 12 4 2 4 6 3 24 12 2 3 8 100 14 5 1 1 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 8 2 4 10 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 6 9 4 5 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 78 77 m 5H | 47 46 t 1H J 53 | 40 39 dd 1H J 35 101 | 37 37 dd 1H J 35 99 | 33 32 ddd 1H J 45 54 124 | 31 30 ddd 1H J 44 53 124 | 15 14 m 1H | 14 14 s 8H | 13 12 m 1H | 12 11 dt 1H J 69 82 | 9 8 dt 1H J 60 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc2c(c1)CCc1ccccc1N2Cc1ccccc1
ir: 4 4 2 4 9 4 2 3 4 2 2 5 4 2 1 3 4 5 3 4 4 1 3 23 6 3 1 3 6 2 3 8 5 7 6 29 5 0 4 23 10 14 18 6 22 6 7 5 3 2 3 4 4 67 15 5 3 1 3 7 6 3 5 5 3 2 3 7 8 8 5 8 2 2 5 11 6 3 5 4 2 2 4 5 7 3 4 6 11 35 9 5 2 3 3 4 4 12 6 14 10 7 4 3 9 12 5 4 2 3 4 2 1 3 5 3 2 2 4 4 2 5 5 6 4 5 4 3 4 4 6 4 3 3 3 31 3 4 10 3 2 3 16 18 16 10 6 8 16 10 10 7 3 4 4 3 2 3 3 2 4 7 2 3 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 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 2 10 3 3 1 3 4 4 2 2 4 3 2 4 8 5 15 15 100 41 16 6 4 4 3 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 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 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 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 99 99 s 1H | 78 77 dd 1H J 19 79 | 76 76 m 1H | 73 72 m 5H | 72 71 m 2H | 71 70 d 1H J 80 | 70 69 td 1H J 14 79 | 69 69 dd 1H J 14 71 | 49 48 d 2H J 9 | 31 30 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(NOCc2ccccc2)C2CC2)n1
ir: 1 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 2 1 1 1 2 1 2 3 5 5 2 3 5 4 1 1 3 0 3 26 5 1 1 0 0 2 1 2 4 6 5 0 2 3 3 1 3 2 2 2 4 4 4 1 1 1 2 2 4 9 2 1 4 3 2 0 1 1 1 2 3 1 2 2 1 1 0 1 1 2 2 1 0 0 0 0 1 1 1 7 14 7 11 2 2 1 0 1 1 1 1 1 2 1 1 1 6 6 3 2 1 1 1 1 1 1 2 3 3 4 36 1 0 1 1 5 6 3 3 3 1 2 2 1 1 2 8 34 18 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 2 1 2 2 2 2 5 17 11 4 2 4 2 1 1 1 1 0 0 0 0 0 0 1 0 0 8 100 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 74 73 m 6H | 68 68 dd 1H J 11 77 | 53 53 d 1H J 44 | 47 46 m 2H | 42 41 m 1H | 39 39 s 2H | 22 21 h 1H J 60 | 15 15 m 2H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2n(c3c(Br)cc(C#N)cc13)CCCNC2=O
ir: 8 3 6 3 3 1 1 4 2 6 4 2 4 2 2 8 8 12 5 28 16 2 1 2 3 1 2 6 24 8 3 2 5 10 5 6 59 13 4 11 11 1 2 30 88 18 15 7 2 4 3 4 3 1 3 7 6 8 4 6 7 0 3 4 6 19 15 56 29 6 3 17 3 2 2 2 6 4 3 2 2 2 5 13 3 2 2 2 2 2 3 3 8 4 2 3 4 2 3 2 2 10 4 3 14 8 2 3 9 4 2 5 12 4 11 17 20 25 13 7 26 12 43 13 24 9 19 26 9 4 4 6 2 3 3 5 26 20 10 2 1 3 4 19 0 3 3 1 7 5 33 6 3 2 4 37 100 17 3 10 4 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 10 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 3 2 2 2 2 3 2 3 3 4 3 3 5 5 4 3 3 3 5 6 17 18 11 10 28 24 10 4 4 4 3 3 3 2 1 3 3 2 2 3 4 4 2 2 7 7 2 8 41 68 26 11 6 4 4 4 3 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 82 81 d 1H J 22 | 78 78 d 1H J 20 | 60 60 t 1H J 37 | 42 41 t 2H J 60 | 33 33 td 2H J 37 55 | 27 27 s 2H | 20 19 p 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
ir: 3 6 6 8 11 7 4 3 5 7 12 9 15 7 6 3 3 1 21 13 19 14 8 7 14 58 39 16 26 4 5 9 6 3 8 6 4 2 3 3 8 20 3 2 2 4 4 49 67 92 40 6 11 20 3 0 2 6 3 2 3 14 3 0 2 3 1 4 65 12 10 6 4 12 6 20 6 3 2 1 2 6 4 3 5 4 1 1 2 2 1 1 6 11 3 19 10 9 2 2 5 13 7 5 2 2 2 6 10 27 7 24 22 11 16 6 6 8 8 3 6 4 3 2 2 2 2 2 3 2 0 3 22 25 8 7 4 25 23 18 100 18 16 6 3 26 7 1 4 3 19 9 38 5 2 10 38 86 20 23 27 17 6 2 3 4 4 11 84 11 4 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 2 1 3 6 7 5 22 59 68 17 10 4 3 3 3 2 2 2 3 3 2 1 1 4 4 3 3 2 3 12 36 93 38 57 38 55 14 7 3 3 2 2 3 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 s 1H | 87 86 s 1H | 86 85 d 1H J 37 | 75 75 s 1H | 73 73 ddd 1H J 15 38 86 | 72 71 m 2H | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(O)(c2ncc(Br)s2)CC1
ir: 3 1 3 2 1 2 2 5 3 2 3 2 0 1 2 2 1 1 1 1 0 1 4 9 2 1 1 5 4 6 4 2 3 2 1 1 6 3 4 3 4 5 3 3 1 2 2 3 8 2 3 3 3 6 4 8 3 3 3 1 3 3 4 2 2 1 1 1 1 1 1 3 2 1 8 5 4 1 2 5 7 2 4 2 1 1 2 3 2 7 4 1 2 2 2 2 8 3 2 2 12 25 9 3 3 4 8 10 9 5 20 24 57 11 22 10 15 8 9 9 10 5 9 11 2 1 2 3 2 4 3 3 2 1 1 2 2 4 4 2 3 1 10 4 2 2 1 1 0 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 2 3 2 5 7 8 0 6 7 12 7 7 2 14 23 33 8 7 4 9 17 5 1 1 1 3 100 10 0 1 1 0 0 1 1 0 0 1 0 0 0 1 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 s 1H | 44 43 s 1H | 42 41 q 2H J 64 | 25 24 p 1H J 65 | 24 23 ddd 2H J 61 86 149 | 22 21 m 4H | 20 18 ddt 2H J 63 86 135 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Cc1ccc(C)cc1
ir: 0 4 9 5 2 6 8 4 10 11 13 15 13 9 17 8 2 5 8 6 20 22 15 3 1 6 6 2 2 7 6 2 2 6 5 1 3 8 6 1 3 8 8 5 5 8 5 1 4 9 8 0 19 47 15 41 22 5 6 6 10 7 6 1 6 11 7 4 9 13 6 4 8 7 5 3 6 7 4 3 5 6 2 2 6 7 4 3 10 6 5 4 7 28 19 28 37 13 3 7 9 6 1 3 7 4 1 4 8 4 0 4 9 4 2 5 11 5 0 7 15 7 3 19 11 11 16 17 6 13 8 6 7 3 2 6 7 5 3 7 21 23 21 29 14 6 12 63 60 22 7 14 6 6 6 8 6 1 3 7 5 1 3 7 4 1 4 7 4 0 4 8 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 6 2 2 6 5 2 2 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 0 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 4 8 6 5 6 13 8 5 6 9 6 5 7 9 10 12 19 100 48 97 28 36 9 25 11 11 10 6 6 10 6 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6; 1HNMR: 72 71 dt 2H J 9 80 | 71 71 m 2H | 38 38 d 2H J 9 | 23 23 d 3H J 10 | 22 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC2SC(=O)NC2=O)cc1
ir: 2 2 1 1 1 1 1 1 1 3 2 3 3 4 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 0 2 2 7 1 1 3 4 4 4 2 2 1 1 2 5 7 80 76 8 3 6 3 4 17 13 7 3 2 2 6 5 5 4 5 4 1 1 1 2 9 2 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 2 3 4 1 1 1 1 1 1 1 2 3 7 4 1 1 3 13 4 3 3 1 1 1 2 1 1 7 5 3 1 1 2 2 3 2 1 1 1 2 2 2 0 1 1 0 0 1 1 0 1 2 1 1 1 3 13 4 1 1 1 5 13 3 2 3 1 6 3 3 5 63 67 3 1 3 5 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 1 1 1 1 1 2 2 1 1 1 3 3 2 3 2 3 12 10 9 3 2 2 1 1 1 1 1 1 0 0 1 1 0 0 1 2 1 0 3 4 3 100 19 1 3 5 0 1 1 1 0 3 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 71 70 dq 2H J 9 81 | 68 68 m 2H | 49 48 t 1H J 52 | 38 38 s 3H | 33 33 ddt 1H J 9 54 138 | 31 30 ddt 1H J 9 52 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CS[C@@H]1CC(=O)N1C(=O)OCC[C@H](C)OC(C)=O
ir: 4 4 3 5 10 18 18 10 13 8 15 3 7 12 26 6 5 4 8 25 14 15 1 4 8 3 16 13 5 3 2 2 2 1 1 3 2 1 1 3 2 2 2 4 3 1 1 3 3 0 2 2 1 1 5 2 5 1 2 3 3 1 3 4 3 1 4 5 8 10 17 12 8 5 6 5 8 7 9 5 5 4 2 2 3 2 3 11 9 11 6 2 1 2 3 4 1 6 23 16 11 15 6 4 2 8 7 3 1 5 8 4 8 14 31 9 14 10 11 18 10 9 17 19 16 14 12 7 6 9 6 3 4 10 17 43 8 9 6 2 1 3 5 4 81 14 6 8 100 85 9 2 2 3 3 1 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 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 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 1 4 4 2 3 4 5 6 11 4 7 11 12 7 14 22 11 31 15 6 3 3 3 5 14 5 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 65 64 ddd 1H J 18 101 154 | 56 55 td 1H J 17 74 | 53 53 dd 1H J 14 154 | 52 52 dd 1H J 15 100 | 49 48 h 1H J 59 | 42 42 dt 1H J 72 113 | 42 41 dt 1H J 72 114 | 34 34 dd 1H J 75 134 | 32 31 dd 1H J 73 132 | 21 20 dtd 1H J 59 72 145 | 21 20 s 3H | 19 18 dtd 1H J 58 72 146 | 13 13 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1csc(-c2ccccc2NC(=O)OCC2CCNCC2)n1
ir: 16 9 7 10 10 12 22 10 10 10 8 6 5 8 5 7 14 6 4 8 18 10 14 18 18 8 8 12 11 17 6 9 10 6 7 7 6 4 8 11 23 70 100 21 19 7 12 33 9 13 17 9 20 0 8 12 10 1 8 6 11 5 13 22 13 7 7 9 9 5 24 27 22 19 14 23 12 13 10 7 7 4 9 20 5 3 4 5 5 4 4 6 5 11 17 26 10 10 8 10 9 6 5 17 45 23 23 13 18 21 20 9 17 50 60 22 36 22 28 22 6 20 14 19 21 17 26 11 16 18 13 4 3 8 8 6 2 28 44 19 5 5 8 6 10 8 9 4 34 43 20 17 5 3 4 4 17 5 3 3 3 5 5 3 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 4 3 2 3 3 3 3 4 4 3 3 3 5 4 5 10 7 6 15 12 11 19 8 8 16 17 11 34 31 82 15 47 78 31 46 13 11 5 3 4 4 4 4 4 4 3 3 4 4 4 4 26 20 10 10 9 66 41 16 12 7 3 3 4 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 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; 1HNMR: 80 79 dd 1H J 12 85 | 76 76 m 2H | 75 74 td 1H J 13 78 | 73 72 ddd 1H J 14 77 90 | 70 70 d 1H J 9 | 47 47 p 1H J 40 | 41 40 d 2H J 51 | 29 29 dddd 2H J 25 38 51 134 | 28 27 dddd 2H J 26 40 53 136 | 27 26 dd 2H J 9 66 | 21 20 m 2H | 18 17 dddd 2H J 25 52 66 134 | 15 14 dddd 2H J 26 51 66 135 | 10 9 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cncc1I
ir: 4 15 8 10 2 4 6 4 3 4 5 4 3 6 8 5 3 5 5 4 4 6 6 4 4 6 7 6 6 6 5 4 4 5 5 3 4 7 17 14 21 6 5 4 4 5 5 3 4 5 5 3 5 7 8 7 5 5 4 4 7 5 7 4 5 6 7 5 10 10 12 6 13 6 5 4 5 7 10 8 5 6 3 4 6 8 5 4 5 5 4 4 5 5 3 4 5 5 4 4 6 5 3 5 8 5 4 5 6 9 19 21 6 11 6 10 6 6 3 11 16 16 13 7 10 6 4 4 5 4 3 5 5 4 3 5 5 4 4 5 6 4 4 6 7 3 18 22 29 15 5 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 5 4 4 4 4 5 5 5 4 5 4 5 5 4 5 5 5 6 7 5 5 5 4 6 15 15 30 13 15 12 11 7 60 100 62 44 0 5 7 4 2 5 6 4 3 5 6 6 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 75 74 m 1H | 72 72 d 1H J 16 | 36 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc2ccc(N)cc2n1
ir: 10 5 9 5 4 3 1 2 9 2 2 3 3 3 3 3 2 3 2 2 3 2 2 2 2 3 3 4 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 5 2 2 2 2 4 4 6 5 2 3 2 2 2 2 2 3 2 2 7 4 7 3 3 3 2 2 2 2 3 0 10 26 3 2 2 2 2 2 2 4 5 3 3 3 2 3 3 2 3 2 2 2 2 4 2 2 3 3 5 3 2 2 2 2 2 2 3 4 3 3 3 3 3 2 2 2 2 2 2 8 2 3 2 2 2 2 3 3 5 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 6 7 4 4 25 23 3 2 3 3 2 39 3 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 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 3 3 3 4 3 4 4 5 3 7 17 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 2 2 2 2 2 2 2 2 2 5 54 100 5 2 3 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 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; 1HNMR: 78 78 d 1H J 82 | 72 72 d 1H J 24 | 69 69 dd 1H J 22 81 | 57 57 s 2H | 46 46 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1ccc(OCc2ccccc2)cc1
ir: 0 6 5 5 4 4 6 7 6 4 8 7 5 9 10 4 5 4 4 2 2 4 5 2 3 6 12 7 18 15 29 9 4 10 5 6 10 7 36 87 39 26 20 6 4 13 6 3 11 5 4 6 14 64 67 26 35 13 8 5 4 6 5 14 26 9 31 14 30 75 10 6 3 3 3 3 6 7 7 3 3 3 1 2 4 4 4 11 36 13 6 2 5 5 5 4 4 9 3 8 5 6 11 4 8 6 3 2 4 2 1 2 4 2 1 3 5 3 2 8 15 7 3 8 6 12 11 6 6 5 5 5 5 16 12 21 19 12 2 6 8 4 85 24 68 57 44 8 43 15 15 14 13 6 4 5 3 1 2 3 3 1 2 3 2 2 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 3 3 1 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 1 3 3 1 2 3 3 2 2 3 3 2 2 3 3 2 2 4 5 2 2 5 3 3 4 4 3 2 3 7 10 3 20 51 100 91 83 59 16 15 4 5 4 3 4 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 2 2 2 2 2 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: 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 70 69 m 2H | 69 68 m 2H | 51 50 t 2H J 9 | 47 47 s 2H | 38 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(Cl)nc21
ir: 3 3 5 7 4 3 2 4 5 8 7 3 3 1 2 5 4 2 1 3 3 4 5 3 3 3 4 4 3 2 2 3 2 2 7 21 21 4 1 3 2 0 2 5 9 4 3 3 2 0 1 4 2 1 4 17 3 3 3 13 7 12 9 6 5 4 3 3 3 3 2 3 3 5 5 5 5 3 4 3 1 1 2 2 1 3 7 11 10 7 6 5 4 6 11 6 2 5 5 7 4 5 9 4 1 2 3 2 2 6 7 3 16 9 57 17 14 13 14 23 23 19 8 13 6 8 15 7 40 23 11 8 7 5 4 2 2 3 2 2 2 2 3 1 2 10 11 5 1 2 2 1 1 2 2 1 1 2 2 1 2 5 2 1 8 10 8 1 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 4 3 3 6 6 5 4 6 7 12 4 4 5 3 15 9 4 100 17 6 7 12 26 7 4 2 1 2 3 2 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 82 81 s 1H | 38 37 m 5H | 37 37 d 3H J 8 | 37 36 dd 4H J 46 59 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@@H](CO)CC(=O)N[C@@H](C)c1ccccc1
ir: 4 7 8 6 4 6 10 7 1 7 8 10 11 8 13 8 15 7 15 8 6 9 22 13 7 7 9 7 4 17 31 12 14 5 9 4 4 12 16 6 22 30 8 4 10 10 5 4 11 7 5 4 6 6 4 1 3 6 7 4 4 6 4 2 5 8 3 4 12 9 6 5 6 6 3 2 5 9 3 2 5 5 4 2 5 5 4 6 6 10 14 33 61 22 5 6 43 41 17 17 8 5 7 3 8 7 3 6 10 21 13 5 7 5 1 6 7 4 4 11 14 5 3 7 8 8 5 6 10 7 4 5 5 6 6 7 8 3 3 6 9 34 30 35 39 56 100 27 9 3 2 8 7 2 3 5 3 1 2 6 4 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 5 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 6 5 2 3 8 6 6 8 8 6 3 5 10 8 8 17 20 22 62 47 7 9 9 13 16 19 2 5 6 4 2 5 4 4 2 5 8 5 7 13 16 23 13 23 20 8 9 6 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 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 73 72 m 5H | 67 66 d 1H J 84 | 51 50 dq 1H J 60 85 | 37 36 dt 1H J 56 115 | 35 34 dt 1H J 56 116 | 34 33 t 1H J 57 | 25 24 m 1H | 23 22 m 1H | 21 19 ttt 1H J 57 73 87 | 16 15 d 3H J 60 | 15 14 m 1H | 14 12 m 5H | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C=C\CC(C(OC)OC)N(Cc1ccccc1)Cc1ccccc1
ir: 4 4 2 4 3 3 1 3 3 3 3 2 7 3 1 1 1 1 1 1 1 1 2 2 2 2 1 6 6 12 31 8 12 4 4 3 4 13 32 29 79 15 5 21 21 9 9 5 6 3 3 4 8 4 4 2 8 10 4 3 3 4 5 6 4 18 25 2 20 64 10 10 1 4 6 9 6 4 9 2 7 13 32 29 19 22 8 3 6 21 9 18 20 5 4 5 1 22 8 7 4 4 4 2 4 2 2 1 2 1 4 3 8 7 3 5 2 4 6 10 13 11 6 5 2 7 6 3 2 3 8 6 5 11 21 53 26 4 4 4 5 7 8 49 10 5 7 2 2 2 1 11 15 3 4 1 1 4 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 1 1 1 0 1 1 1 0 1 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 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 5 3 2 3 5 3 4 2 6 25 31 53 100 42 26 11 4 2 2 4 3 1 4 3 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 73 72 m 3H | 73 73 s 7H | 55 54 m 1H | 54 53 m 1H | 45 44 dh 1H J 15 62 | 38 38 d 2H J 124 | 36 36 d 2H J 124 | 34 34 d 6H J 15 | 32 31 m 1H | 25 24 m 1H | 22 21 dddt 1H J 12 59 88 121 | 21 20 m 2H | 10 9 td 3H J 9 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H](OC(C)(C)CC)c1c(C)cc2cc(C#N)ccc2c1OS(=O)(=O)C(F)(F)F
ir: 12 15 25 7 6 14 20 11 43 10 49 13 8 16 13 4 3 10 8 3 2 7 11 17 2 7 8 76 7 8 7 3 3 15 12 7 12 21 7 1 3 7 6 2 3 7 5 28 7 12 6 8 6 8 5 0 9 13 12 100 13 9 8 4 13 12 5 4 9 23 69 20 8 34 53 25 10 12 4 13 14 9 2 0 25 63 6 8 12 28 7 9 7 7 6 8 7 15 25 15 14 9 8 8 10 5 4 5 12 16 3 5 9 7 7 12 25 11 6 9 14 11 6 21 10 7 5 8 19 11 20 6 10 5 3 5 8 4 7 7 6 2 4 13 50 15 9 7 8 16 7 11 6 3 4 14 4 2 9 6 4 2 4 6 4 2 4 29 5 2 4 7 4 1 4 6 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 7 7 5 6 7 5 4 5 6 5 2 7 9 10 19 24 9 11 50 32 13 10 2 7 10 5 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 6; 1HNMR: 82 82 d 1H J 69 | 80 80 t 1H J 21 | 76 76 dd 1H J 7 21 | 75 75 dd 1H J 22 70 | 56 56 s 1H | 43 42 qd 2H J 38 64 | 24 24 s 3H | 16 15 m 2H | 13 13 s 3H | 13 12 m 6H | 9 8 t 3H J 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(C(F)(F)F)ccc2OCc2c(F)cccc2F)n1-c1cccc(C(=O)O)n1
ir: 5 1 2 2 1 1 5 3 1 3 4 6 3 9 13 34 29 11 36 49 100 25 23 14 2 4 4 3 1 6 4 3 2 3 3 2 7 4 4 7 2 2 2 3 6 19 88 46 69 13 15 1 9 41 35 12 5 18 39 3 3 3 3 3 5 3 4 6 32 8 4 14 5 3 3 13 17 23 56 47 76 23 15 11 13 23 6 5 3 16 16 10 3 3 3 4 35 15 41 4 12 4 1 4 14 3 3 4 5 4 2 7 19 36 3 7 4 4 15 25 2 6 1 5 6 6 15 13 12 7 15 69 7 6 5 4 8 9 27 38 22 38 23 11 26 7 12 4 5 7 33 38 8 24 6 20 65 4 26 4 4 2 2 10 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 3 1 1 1 2 1 0 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 2 0 1 2 2 1 1 3 2 2 3 4 2 1 4 9 6 6 17 31 95 59 77 52 65 20 7 4 8 9 80 34 6 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 79 78 dd 1H J 32 43 | 77 76 ddt 1H J 14 27 73 | 76 76 dq 1H J 13 25 | 74 73 tt 1H J 52 78 | 71 70 d 1H J 72 | 70 69 m 2H | 68 68 d 1H J 70 | 64 64 m 1H | 53 53 t 2H J 47 | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(c2cc(O)ncn2)CC1
ir: 3 4 4 6 5 6 5 4 4 5 7 9 4 3 3 3 3 3 5 7 3 3 3 3 3 2 2 3 3 2 2 2 3 3 3 7 12 9 4 4 3 4 4 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 3 3 3 3 4 3 6 7 9 5 4 5 4 6 12 8 5 5 2 2 2 2 2 2 2 2 2 3 3 3 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 3 4 4 5 4 3 3 3 4 6 9 5 4 4 6 4 3 3 3 4 4 7 4 4 3 3 3 3 3 7 7 5 4 4 6 11 6 2 2 3 3 2 3 17 3 2 2 3 2 3 5 53 5 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 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 2 2 3 3 2 3 5 7 6 3 8 6 2 2 4 2 0 5 13 100 14 3 1 3 4 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 82 82 d 1H J 14 | 61 60 dd 1H J 7 15 | 41 40 ddd 2H J 66 93 121 | 31 30 pd 1H J 7 54 | 30 29 ddd 2H J 66 93 121 | 22 21 dddd 2H J 53 66 93 145 | 19 18 dddd 2H J 53 66 93 145 | 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)OC(=O)C(O)C1C#N
ir: 3 2 4 3 1 1 2 2 4 6 5 2 2 5 3 4 1 2 2 2 1 1 3 3 3 1 2 1 1 3 3 2 2 2 1 1 1 1 1 1 1 2 2 4 2 2 1 1 1 2 2 9 5 2 2 1 1 1 3 2 4 2 2 7 6 4 2 8 5 6 2 1 1 1 1 3 3 3 1 1 1 2 2 2 3 5 5 59 58 59 14 5 8 3 2 8 12 10 7 5 1 4 3 4 4 2 1 1 2 1 1 1 2 1 2 5 8 5 5 4 3 4 3 3 2 3 2 8 8 13 5 8 2 2 1 1 2 1 1 1 1 1 1 14 34 21 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 12 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 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 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 1 2 2 3 3 4 4 12 6 3 2 1 1 2 1 1 2 5 100 89 40 5 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 46 46 d 1H J 42 | 44 44 dd 1H J 42 71 | 37 36 dp 1H J 16 71 | 15 15 d 3H J 16 | 14 14 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CO)(CO)NC(=O)OC(C)(C)C
ir: 7 5 5 3 3 4 6 4 4 10 6 3 7 2 4 4 2 2 3 3 3 2 1 2 3 1 1 4 3 3 15 50 4 3 23 98 5 10 4 2 2 2 3 4 2 4 2 1 2 3 3 2 2 1 2 2 2 2 1 1 1 3 2 3 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 3 3 2 4 8 12 10 9 22 33 28 36 32 16 11 7 4 8 6 4 3 1 1 2 2 1 2 3 2 2 2 2 2 2 2 2 2 1 3 7 4 2 4 2 3 1 2 3 2 1 3 4 3 1 1 2 1 0 1 2 0 1 3 6 13 89 2 0 2 3 22 19 3 2 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 2 1 2 3 2 2 2 2 3 2 3 7 14 6 3 4 2 2 2 4 1 8 48 100 12 7 5 3 3 2 2 2 2 2 2 2 3 3 4 71 37 12 2 2 1 2 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 49 s 1H | 47 46 t 2H J 50 | 38 37 dd 2H J 49 115 | 35 34 dd 2H J 49 115 | 17 17 q 2H J 66 | 14 14 s 8H | 9 9 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2CC1
ir: 8 7 6 25 28 8 6 3 7 4 4 31 9 10 8 7 10 7 9 6 7 5 2 3 7 3 3 5 7 17 5 13 15 6 6 8 5 8 11 8 4 7 2 3 2 3 3 5 8 4 4 5 7 9 14 7 10 8 4 3 3 5 8 8 23 11 7 4 22 11 6 2 1 1 1 2 10 6 2 2 1 0 11 36 14 6 10 29 20 11 2 5 5 3 5 14 5 4 8 8 17 10 30 10 24 4 2 4 2 3 3 3 10 6 3 5 5 14 15 9 10 10 19 29 10 3 6 6 9 14 9 7 5 14 6 6 9 6 5 2 2 2 7 12 3 9 4 4 6 2 8 18 5 3 34 2 2 2 2 2 2 1 5 17 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 2 3 2 3 3 2 4 3 2 5 7 22 16 30 83 38 13 6 0 3 3 3 3 2 3 1 1 2 2 2 0 2 3 1 2 4 4 3 7 15 30 100 71 16 5 5 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; 1HNMR: 81 81 s 1H | 79 78 m 2H | 78 77 m 2H | 71 70 dd 1H J 22 77 | 70 69 dt 1H J 9 77 | 68 68 m 1H | 37 36 dt 5H J 66 169 | 30 29 td 2H J 8 65 | 29 28 td 2H J 9 66 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)c(C)c1C(=O)N1C[C@@H](C)N[C@@H](C)C1
ir: 5 3 3 3 12 7 4 3 6 14 10 3 12 5 5 6 5 10 9 4 12 3 3 5 7 3 5 3 3 3 3 2 3 5 11 3 11 6 13 4 9 12 10 8 22 8 58 100 15 7 5 0 11 37 39 80 10 6 11 6 3 6 5 4 4 6 3 4 18 3 6 3 3 2 11 4 6 2 3 5 4 2 12 5 3 16 5 3 2 8 3 6 3 3 5 2 4 3 3 5 9 5 6 6 9 22 26 34 37 6 7 4 13 3 9 4 3 3 13 6 7 7 6 3 4 4 11 6 17 15 18 6 4 11 33 6 5 10 18 5 5 12 30 9 6 13 4 3 6 8 50 8 3 3 3 7 19 13 7 27 77 10 3 3 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 3 4 3 3 3 3 4 5 4 4 12 23 26 46 17 10 3 4 6 9 4 3 3 2 3 3 3 4 6 5 4 9 36 31 28 16 33 29 89 28 19 13 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 m 3H | 76 76 s 1H | 75 75 m 2H | 75 74 m 2H | 35 35 dd 2H J 14 116 | 34 34 dd 2H J 40 115 | 31 30 ttdd 2H J 13 39 65 78 | 23 23 d 6H J 88 | 19 19 t 1H J 76 | 11 11 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1Cn2c(cc(Cl)nc2=O)N1
ir: 9 9 3 4 5 3 2 3 4 4 3 3 3 3 3 3 3 3 2 4 3 3 2 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 14 29 15 5 5 7 8 3 3 3 2 2 3 3 2 4 3 3 4 3 2 2 2 2 2 2 2 2 3 4 8 21 10 4 6 5 3 3 2 2 3 3 2 2 3 2 2 3 3 3 2 2 2 2 2 2 6 3 2 2 3 3 3 6 4 3 5 46 15 4 4 4 13 28 3 3 3 3 2 3 3 3 2 4 4 3 3 3 4 4 4 3 3 2 3 27 3 5 5 6 3 2 2 3 3 2 2 3 3 0 1 49 30 5 4 1 3 6 100 49 4 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 3 2 2 3 3 3 2 3 6 5 3 3 4 9 11 7 4 6 3 4 3 2 2 3 3 2 2 3 3 2 3 4 4 4 7 20 28 28 8 12 12 5 3 3 2 2 2 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 62 61 s 1H | 60 60 d 1H J 51 | 40 40 dd 1H J 7 106 | 39 39 dd 1H J 26 104 | 37 36 m 1H | 12 12 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCc2ccc3c(c2CC1)C(C)(Cl)C(F)(F)C3
ir: 28 35 24 28 35 52 20 45 94 35 9 26 29 29 5 32 38 12 6 16 19 4 35 29 17 8 5 17 17 4 8 15 15 4 5 15 14 2 12 22 15 5 6 17 11 1 8 19 15 4 42 100 59 19 17 26 14 6 17 36 14 3 16 21 9 3 12 18 11 6 27 21 17 23 22 24 10 13 16 23 7 5 15 26 10 11 17 21 6 6 19 16 8 15 20 15 17 23 30 24 4 11 18 13 7 21 40 69 9 11 30 20 9 32 80 26 23 18 24 49 19 84 35 22 31 20 19 16 11 26 27 14 8 22 31 37 20 27 24 8 7 23 41 5 9 15 13 3 28 16 69 56 31 23 14 3 8 15 12 24 17 16 10 1 7 17 10 1 8 17 8 0 9 17 8 0 9 16 7 1 10 15 7 2 11 15 6 2 11 14 6 3 11 13 5 3 12 13 5 4 13 12 4 5 13 11 3 5 13 11 3 6 14 10 2 6 15 10 2 7 15 9 1 8 16 9 1 8 16 8 1 8 15 8 1 9 15 7 2 10 15 6 2 11 14 7 3 11 14 6 4 11 13 5 4 12 12 5 5 12 12 4 6 13 11 4 6 14 11 6 9 21 13 4 15 29 32 23 16 22 19 7 19 25 69 42 48 68 24 13 12 18 14 6 11 15 8 4 10 14 7 3 11 14 6 4 11 13 6 4 11 12 5 5 12 12 5 5 12 11 4 6 13 10 4 6 13 10 3 7 13 10 3 7 14 9 2 8 14 9 2 8 15 8 2 9 14 8 2 9 14 7 3 9 13 7 4 10 13 6 4 10 12 6 4 11 12 6 5 11 11 5 5 11 11 5 6 12 10 4 6 12 10 4 7 13 10 4 7 13 9 3 8 13 9 3 8 14 8 2; 1HNMR: 71 70 dt 1H J 9 69 | 70 70 dt 1H J 9 68 | 41 40 q 2H J 65 | 37 36 t 2H J 64 | 36 36 t 2H J 66 | 35 34 dtd 1H J 9 100 179 | 34 32 dtd 1H J 9 100 179 | 31 30 dt 1H J 64 154 | 30 29 m 3H | 22 21 t 3H J 35 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)C1
ir: 8 11 1 4 2 3 3 1 3 2 6 1 1 2 2 1 2 1 1 1 1 1 1 2 4 11 33 20 13 15 5 4 3 1 3 1 2 3 1 1 1 0 1 0 1 0 2 4 2 0 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 2 1 1 1 1 1 2 3 2 6 4 2 2 2 3 2 1 3 4 1 4 9 8 5 12 7 9 4 5 5 7 6 5 9 6 5 1 2 2 4 2 1 4 2 1 9 5 2 1 1 1 1 1 5 2 2 2 3 1 2 3 6 5 2 4 6 4 2 5 2 0 2 5 4 1 1 2 9 17 100 31 5 3 4 98 24 4 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 2 0 1 1 2 7 7 3 2 5 5 8 10 7 3 1 0 0 1 1 1 0 9 5 3 1 2 1 1 0 1 1 0 0 1 1 1 2 8 49 16 5 2 1 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 45 45 m 1H | 40 38 pd 1H J 58 75 | 34 34 d 1H J 57 | 32 32 dd 2H J 51 60 | 21 20 m 1H | 18 17 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cnnc(NC2CNC2)c1
ir: 29 9 10 3 0 2 3 2 2 6 2 3 4 3 4 6 5 9 7 6 3 5 8 4 3 4 2 2 6 5 2 2 2 2 2 1 1 2 3 15 8 2 3 3 4 11 8 15 26 18 11 1 6 14 17 4 2 2 2 2 4 11 7 6 12 8 2 2 2 2 1 2 2 2 4 2 1 2 3 1 3 4 9 11 3 1 2 4 6 3 2 2 1 7 6 2 2 2 1 1 2 2 4 3 4 25 58 8 4 3 1 2 2 1 1 2 2 1 1 2 9 13 0 1 2 1 1 3 3 5 18 6 2 2 2 5 11 24 2 3 2 1 9 14 5 20 32 9 3 1 1 2 3 3 2 2 4 35 11 4 2 1 1 2 1 0 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 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 1 1 2 2 1 1 3 2 1 2 2 2 1 4 7 6 4 10 3 1 1 1 3 2 1 2 2 1 1 2 2 2 1 4 4 3 25 47 14 19 28 100 13 4 2 3 2 2 1 3 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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; 1HNMR: 87 86 dd 1H J 20 38 | 75 74 dd 1H J 38 78 | 70 69 dd 1H J 21 78 | 55 54 d 1H J 75 | 41 41 dp 1H J 26 78 | 34 34 ddd 2H J 27 43 116 | 32 31 ddd 2H J 26 42 115 | 24 24 p 1H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(c1)c(C#Cc1ccccc1)nn2C1CCCCO1
ir: 1 3 2 2 1 2 3 2 2 2 2 1 4 4 3 1 0 21 3 2 2 3 13 1 1 1 2 2 1 6 3 4 3 4 7 22 9 26 24 11 23 4 6 4 3 3 2 3 3 5 2 1 3 4 30 5 4 3 1 0 1 2 1 1 1 2 3 11 11 2 1 3 2 4 1 1 5 5 26 5 2 2 1 1 2 1 1 1 3 3 6 3 2 2 2 2 1 1 1 2 2 6 2 2 2 1 1 3 7 6 3 5 3 5 3 9 2 4 2 3 5 7 1 4 7 9 1 6 7 7 12 3 7 2 14 17 41 2 9 3 3 6 10 11 12 27 3 7 3 2 4 3 6 2 2 2 1 1 7 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 2 21 3 1 0 1 2 1 0 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 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 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 4 3 2 4 3 2 3 4 4 4 16 6 9 19 94 100 11 6 4 3 2 1 1 2 2 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 d 1H J 23 | 78 78 dd 1H J 22 70 | 76 76 m 3H | 74 73 m 3H | 59 59 t 1H J 24 | 39 38 ddd 1H J 32 50 104 | 38 37 ddd 1H J 32 49 104 | 24 23 dddd 1H J 24 56 80 143 | 21 19 m 2H | 18 17 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)CCc2c(O)cccc21
ir: 0 3 6 3 1 3 5 3 1 4 6 2 0 3 5 4 2 4 6 2 5 4 5 1 2 5 4 1 1 4 3 1 2 4 6 11 5 7 3 1 2 4 3 0 7 29 12 26 48 21 4 1 3 6 3 0 3 5 4 2 3 7 3 0 3 5 6 3 3 5 3 3 4 13 9 12 11 6 3 1 7 15 34 12 8 4 1 1 4 6 4 3 6 3 5 6 4 3 2 3 4 3 1 2 4 3 1 5 6 3 0 4 7 7 3 4 7 5 3 5 5 4 2 9 12 5 5 8 6 2 1 3 5 3 3 3 4 2 1 5 6 6 5 4 3 2 4 7 5 5 6 14 4 2 2 5 6 5 8 17 17 2 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 2 3 4 4 1 2 4 3 1 2 5 3 2 3 4 3 2 3 3 5 11 15 7 8 11 12 5 4 2 3 2 100 4 17 1 2 1 3 3 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 4 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 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 2 3 2 1 2 3; 1HNMR: 71 71 dd 1H J 73 86 | 69 69 dd 1H J 12 74 | 67 66 m 2H | 40 39 q 2H J 78 | 31 30 m 2H | 27 26 dd 2H J 62 71 | 12 12 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)C(F)(F)F)c1ccc(Cl)cc1
ir: 5 5 7 3 7 2 1 12 14 14 10 5 5 2 1 1 1 1 4 26 2 2 1 2 7 15 9 4 9 3 2 2 3 3 3 6 12 3 4 25 18 2 1 0 2 1 1 5 3 2 6 2 3 5 18 3 7 4 3 2 1 0 1 2 2 3 2 1 3 7 4 3 4 6 19 15 11 10 9 7 3 2 1 1 2 1 2 2 1 1 3 3 3 13 49 16 12 24 59 26 20 9 2 2 4 7 7 11 8 2 1 1 3 3 5 3 3 4 13 12 7 36 6 10 5 6 3 3 5 6 5 1 2 1 1 1 1 1 1 1 1 3 6 20 25 36 49 100 55 6 4 2 7 2 1 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 3 1 3 4 8 17 7 11 17 9 42 99 36 16 3 4 6 4 1 1 2 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 m 4H | 46 45 s 1H | 42 41 m 2H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCNCCS(=O)(=O)CC
ir: 18 6 0 6 7 5 9 6 5 1 0 2 5 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 4 6 3 3 2 2 2 7 4 3 15 12 14 14 22 15 21 7 12 5 3 4 3 5 4 3 2 1 3 6 4 4 2 3 5 9 9 45 52 0 14 5 8 3 4 8 12 5 3 3 1 1 2 3 2 8 100 5 1 11 6 2 1 1 4 2 1 1 5 5 2 13 29 18 15 9 15 37 40 11 10 16 19 7 18 10 6 16 8 15 14 10 7 4 2 4 3 6 1 4 12 11 7 13 4 4 18 13 7 3 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 2 2 2 4 4 4 4 6 12 16 9 3 3 3 3 3 3 10 61 7 3 2 3 1 1 2 1 1 2 3 2 1 1 2 1 2 2 3 3 4 14 33 11 8 4 2 1 1 2 2 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 32 31 m 3H | 30 29 m 4H | 28 27 td 2H J 46 59 | 15 15 p 2H J 60 | 14 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2cc3c(=O)c4cccnc4ccc3cn2)c(OC)c1
ir: 2 2 2 2 2 8 2 4 3 4 9 2 2 1 3 3 6 5 4 1 1 3 4 2 2 2 3 3 17 8 4 8 4 5 8 18 12 2 4 7 20 2 6 2 1 2 1 1 1 1 1 2 9 13 5 4 3 3 2 10 4 1 5 3 3 11 23 32 12 3 4 3 2 2 1 1 1 1 1 1 2 1 6 2 4 2 2 3 5 2 1 4 2 2 1 1 3 9 3 2 2 3 3 2 1 1 1 1 6 2 1 3 5 2 1 1 2 2 4 3 3 4 2 4 6 2 1 4 2 2 4 6 1 3 8 1 4 9 26 21 8 5 26 5 12 6 12 100 25 10 10 6 11 5 8 11 21 5 8 6 1 1 12 67 5 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 3 6 13 46 48 7 6 2 2 1 1 0 1 1 1 1 1 1 1 2 1 1 1 0 2 3 4 11 22 67 15 10 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 87 86 dd 1H J 20 45 | 87 86 s 1H | 82 81 dd 1H J 20 79 | 80 79 d 1H J 115 | 78 77 d 1H J 115 | 76 75 dd 1H J 44 79 | 72 71 dt 1H J 9 85 | 71 71 t 1H J 54 | 70 69 s 1H | 66 65 dd 1H J 23 85 | 65 64 d 1H J 23 | 47 46 dd 2H J 9 53 | 38 38 d 6H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cncc1CC(Oc1ccc(CCc2ccc(F)cc2)c(C(=O)O)c1)c1ccc(F)cc1
ir: 2 2 6 7 2 6 5 3 1 2 5 2 2 2 6 3 1 7 19 6 6 6 9 3 2 1 2 1 1 2 1 2 2 4 13 3 2 1 1 3 6 3 1 1 1 1 2 2 4 9 5 12 13 16 41 53 17 11 7 2 1 5 4 19 6 3 1 1 10 13 2 1 5 2 5 3 3 2 2 1 1 1 1 3 12 20 4 13 10 2 1 1 2 10 6 10 28 16 3 1 2 7 4 3 3 2 3 5 8 10 7 2 7 6 11 7 9 6 5 10 18 11 3 12 8 8 5 4 3 3 1 2 2 1 0 2 2 2 2 2 1 1 2 2 4 16 23 78 37 11 2 11 19 2 1 1 3 3 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 2 4 6 5 7 7 5 8 4 2 5 11 11 12 38 100 45 48 27 6 8 5 7 9 4 1 2 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 q 1H J 10 | 74 74 m 2H | 74 73 d 1H J 26 | 72 72 dt 1H J 9 86 | 72 71 ddt 2H J 9 34 82 | 71 70 m 5H | 70 69 dd 1H J 27 85 | 56 56 td 1H J 9 62 | 36 36 s 2H | 34 33 ddd 1H J 8 61 165 | 33 32 td 2H J 8 80 | 32 31 ddd 1H J 8 62 163 | 29 29 tt 2H J 10 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1cccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)c1)NO
ir: 5 6 5 3 12 9 9 4 0 4 6 4 6 6 6 4 8 7 4 3 2 8 7 3 1 4 4 5 7 12 24 9 8 7 7 7 11 3 3 8 17 65 20 8 6 8 13 62 7 1 1 1 2 3 2 2 2 2 3 1 2 3 1 4 5 5 5 10 4 7 8 5 2 1 2 4 7 6 7 14 30 20 10 8 28 11 5 3 16 19 7 2 3 6 100 20 9 10 3 5 13 13 12 2 2 12 6 6 6 4 6 1 2 1 1 7 8 4 4 5 2 3 1 5 9 4 5 9 13 4 5 4 3 2 4 8 7 5 4 4 31 6 4 5 14 25 42 23 14 3 3 4 12 1 50 3 3 1 4 2 1 11 2 1 1 3 2 2 1 1 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 3 3 3 2 1 3 7 8 5 20 14 29 77 17 7 8 5 6 5 4 23 11 6 3 2 2 1 2 2 1 1 2 3 1 2 4 58 7 3 2 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 97 96 d 1H J 37 | 90 89 d 1H J 35 | 78 77 ddd 1H J 14 26 76 | 76 76 m 2H | 76 75 t 1H J 75 | 75 75 t 1H J 21 | 73 72 m 2H | 70 69 m 2H | 69 68 tt 1H J 13 77 | 68 67 m 2H | 67 66 d 1H J 101 | 36 35 m 4H | 33 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NCc1ccc(OCCCc2ccccc2F)cc1)C(N)=O
ir: 0 2 2 3 6 6 5 8 8 11 8 8 19 8 19 10 9 9 4 13 9 22 18 12 6 7 5 6 2 16 37 35 16 32 19 25 13 12 29 12 10 22 72 45 34 30 35 19 12 10 10 15 16 31 29 26 10 7 9 4 5 5 5 2 5 9 8 17 12 16 12 2 8 10 4 6 14 8 4 10 9 4 3 3 3 3 5 18 6 7 13 6 3 6 6 4 4 7 7 6 5 4 3 3 2 1 3 4 8 40 33 15 7 8 4 11 25 13 12 19 8 7 6 5 3 3 4 8 6 7 4 9 23 18 11 8 14 12 5 5 4 8 11 5 6 8 6 14 23 12 3 4 4 1 5 8 17 30 13 3 3 4 2 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 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 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 5 2 2 3 7 4 10 15 5 42 100 66 30 9 5 4 2 3 3 2 3 1 2 2 2 2 3 9 10 27 41 14 11 5 2 3 2 2 2 4 21 16 4 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 dddd 1H J 18 39 77 86 | 72 72 m 3H | 71 70 m 2H | 68 68 m 2H | 67 66 s 2H | 41 40 t 2H J 61 | 40 39 ddt 1H J 9 62 141 | 38 38 ddt 1H J 9 62 141 | 36 35 q 1H J 64 | 34 34 dq 1H J 53 68 | 28 27 tdd 2H J 9 38 95 | 20 19 tt 2H J 61 94 | 13 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ncnc2[nH]cnc12)c1nc2ccncc2n1-c1ccccc1
ir: 2 8 18 2 5 11 26 17 22 10 14 3 11 16 7 11 4 20 19 12 11 6 6 6 10 4 9 9 7 5 5 4 2 3 12 4 27 3 6 14 11 2 5 12 3 9 8 7 4 7 18 84 13 3 10 22 4 0 2 3 2 6 4 3 5 2 6 10 4 2 3 2 8 20 23 2 20 5 12 5 2 1 4 3 3 6 10 47 15 3 2 1 1 1 1 1 4 7 3 4 0 2 3 9 3 11 10 14 10 2 6 23 31 16 12 22 4 3 11 6 4 7 18 3 5 24 11 12 10 45 24 6 5 5 28 57 4 8 7 11 7 9 16 65 14 12 12 18 31 94 27 26 4 4 3 3 3 2 2 3 1 17 6 2 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 1 0 1 1 1 1 1 1 2 3 3 3 9 3 6 29 19 4 3 2 3 1 1 2 1 1 1 1 1 1 1 3 7 3 8 2 3 6 8 13 21 100 36 17 6 1 2 2 2 1 3 2 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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; 1HNMR: 91 91 d 1H J 17 | 86 86 dd 1H J 15 40 | 83 83 s 1H | 81 80 d 1H J 57 | 80 79 d 1H J 81 | 77 77 d 1H J 40 | 74 73 m 3H | 74 73 m 2H | 53 53 dq 1H J 58 81 | 19 18 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(CN)C(=O)OC(C)(C)C
ir: 8 4 4 3 4 8 4 3 4 5 11 4 2 3 4 18 3 2 2 2 2 2 2 2 1 2 3 4 2 2 2 2 2 2 2 1 2 3 2 2 3 3 2 2 2 6 10 9 18 6 4 4 2 2 10 29 5 16 11 5 2 4 5 16 3 4 5 2 3 4 3 0 49 100 12 5 3 3 10 9 7 9 3 2 1 2 2 3 2 2 6 9 4 2 2 2 2 5 2 2 2 4 3 2 2 3 2 2 2 2 2 3 3 3 10 22 9 6 8 9 7 5 13 3 3 8 10 14 7 4 8 24 41 32 27 27 17 5 4 2 3 2 2 2 2 52 20 3 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 2 1 2 1 2 2 4 3 3 2 2 2 2 2 3 2 2 3 3 5 18 5 2 2 2 2 2 1 2 2 2 2 2 4 5 3 7 28 38 7 5 9 3 4 4 32 57 8 3 3 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 38 37 t 2H J 67 | 32 31 dt 1H J 67 119 | 30 29 dt 1H J 67 121 | 18 17 dq 1H J 82 143 | 16 15 dq 1H J 82 141 | 15 14 s 8H | 12 12 s 3H | 9 8 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(/C=C/C(C)O)C(C)(C)CC(O)C1
ir: 0 2 3 1 4 2 6 3 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 1 1 1 2 0 1 1 1 1 1 1 1 0 1 4 3 4 3 3 1 2 3 4 8 5 5 4 16 9 23 15 7 5 2 3 5 10 9 36 45 41 22 14 8 6 3 4 4 4 4 2 1 2 1 1 2 1 1 1 2 1 2 1 1 1 0 2 2 3 3 2 2 2 2 2 4 3 3 2 3 3 4 11 5 6 9 3 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 2 1 2 2 3 4 3 4 4 4 7 4 5 8 14 13 9 10 6 4 1 5 6 11 7 36 40 100 19 5 0 3 2 2 0 1 1 1 1 2 2 2 1 1 3 1 3 3 3 2 1 2 2 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 63 62 ddq 1H J 9 20 161 | 57 56 ddq 1H J 9 53 161 | 44 43 qtd 1H J 9 53 64 | 40 40 m 1H | 28 27 dd 2H J 49 159 | 25 24 ddd 1H J 10 53 165 | 22 21 ddd 1H J 9 53 167 | 20 19 dd 1H J 60 117 | 18 17 d 3H J 11 | 17 16 dd 1H J 60 117 | 13 13 dd 3H J 10 65 | 12 11 s 2H | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1CC(=O)c1ccccc1
ir: 4 5 7 6 12 8 4 5 5 4 4 5 8 8 5 5 5 4 11 16 6 3 2 7 13 7 3 8 9 5 0 76 82 66 100 6 6 16 11 41 61 31 72 9 8 25 10 6 6 7 5 5 9 8 4 4 5 5 4 4 4 4 4 5 5 4 4 4 20 16 6 8 4 7 7 6 8 6 13 10 5 4 4 3 4 4 4 5 8 12 14 8 7 5 5 6 5 5 5 4 4 5 5 4 4 5 6 6 8 17 7 9 6 5 11 7 13 6 9 9 7 7 7 14 12 13 19 13 13 11 5 8 8 8 13 7 14 24 7 13 27 67 60 25 23 80 93 15 15 28 8 3 3 5 7 4 4 5 5 4 4 5 4 3 3 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 5 6 5 6 7 9 5 5 5 7 7 12 16 10 42 46 73 51 18 26 9 8 7 5 5 4 5 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 80 79 dq 2H J 17 79 | 76 75 m 1H | 75 74 m 2H | 72 71 m 4H | 43 43 d 2H J 7 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCC2)CC1
ir: 7 5 0 5 8 7 7 9 14 13 13 10 4 10 4 1 3 2 3 1 1 2 1 2 3 2 2 2 1 2 1 2 2 2 1 1 1 2 2 1 2 4 2 1 1 2 1 2 2 1 1 1 2 3 2 3 3 5 3 3 3 4 6 3 3 1 3 4 3 2 5 1 1 0 2 3 5 4 6 3 4 2 6 9 5 4 7 19 41 54 100 9 11 3 1 3 4 7 2 6 3 5 4 2 4 2 3 1 5 2 6 7 10 15 8 3 4 8 9 10 5 6 15 10 5 4 1 8 3 4 5 5 5 9 12 4 3 7 4 2 1 1 1 1 1 1 1 1 1 1 2 24 2 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 2 1 2 1 2 5 4 2 4 3 3 3 5 3 13 18 3 4 3 1 1 1 1 1 4 2 52 9 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 39 38 ddd 1H J 51 64 106 | 37 36 t 1H J 64 | 36 35 ddd 1H J 52 64 104 | 35 34 m 4H | 29 28 ddd 2H J 45 62 115 | 28 27 ddd 2H J 46 61 115 | 25 25 dt 1H J 52 81 | 17 16 dp 1H J 60 79 | 16 12 m 10H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cncn1C1CSCc2ccccc21
ir: 24 5 8 5 4 15 11 5 15 10 8 5 7 5 7 8 4 6 5 5 11 6 23 4 3 1 2 7 11 11 10 6 3 11 2 3 16 2 1 8 9 53 17 20 55 10 5 16 6 1 1 1 2 1 2 2 1 2 7 1 4 4 2 1 1 2 3 2 11 3 2 4 2 1 9 12 14 2 1 2 2 9 19 4 1 2 2 10 91 16 14 16 22 38 17 2 1 1 4 5 13 15 4 6 3 3 2 2 2 1 2 1 5 18 26 14 16 10 2 8 12 5 9 22 3 6 4 2 2 2 5 3 8 10 17 10 8 43 26 3 2 4 31 11 4 5 19 21 100 60 16 3 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 2 2 1 3 11 5 5 4 5 7 4 5 50 19 10 29 68 79 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 d 1H J 18 | 79 78 m 1H | 73 71 m 4H | 55 54 m 1H | 39 39 s 2H | 39 37 m 2H | 35 34 dd 1H J 34 127 | 32 32 dd 1H J 35 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCCCC1CC2C=CC1C2
ir: 11 3 2 4 5 3 1 3 5 3 6 3 2 1 1 2 3 1 1 2 1 2 5 7 22 36 12 12 3 2 2 3 1 1 1 2 2 3 5 3 5 2 5 11 3 1 2 2 12 8 3 6 14 11 2 4 8 1 6 8 28 11 3 4 5 2 4 6 1 2 3 7 3 6 13 3 1 1 2 34 8 2 3 2 1 1 1 1 1 1 1 2 1 3 3 4 16 7 4 2 3 4 16 6 8 25 31 14 6 9 7 4 29 16 12 7 19 12 10 21 5 5 3 4 2 2 2 1 2 3 6 2 4 3 3 6 26 23 42 20 11 3 4 1 1 3 2 1 3 8 16 9 1 2 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 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 2 1 1 2 2 1 1 1 2 2 1 5 6 6 7 11 30 12 14 4 12 15 31 17 40 35 100 37 9 4 4 7 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 60 59 m 2H | 36 35 t 2H J 32 | 29 28 hdd 1H J 10 21 44 | 28 27 dqdd 1H J 10 21 40 61 | 18 16 m 4H | 16 13 m 6H | 13 12 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC/C=C/C(=O)N1CCC(C(=O)OCC)CC1
ir: 0 9 9 8 3 7 7 9 3 5 6 3 4 5 16 5 3 4 3 2 1 4 5 2 2 4 5 5 5 5 5 10 12 12 9 7 3 8 5 5 6 8 5 1 8 5 3 0 3 5 3 0 3 6 3 2 6 8 4 0 3 6 4 1 3 7 6 1 13 6 6 2 7 9 6 12 6 17 20 7 8 17 65 18 7 11 13 7 4 4 1 2 5 14 3 8 20 7 2 4 9 5 4 3 7 12 13 11 11 11 0 13 32 100 41 38 26 14 13 23 19 12 5 9 12 26 9 9 6 13 21 11 8 9 4 14 25 12 8 7 6 4 6 15 37 11 11 85 12 5 5 3 3 1 2 3 3 1 2 4 4 2 6 18 7 2 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 1 2 2 3 2 2 3 3 1 2 4 3 1 2 5 5 3 3 17 19 8 9 8 7 4 4 13 14 19 61 44 24 11 8 8 3 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 68 67 dtt 1H J 10 59 157 | 62 61 dt 1H J 12 157 | 42 41 q 2H J 63 | 38 37 ddd 2H J 57 84 123 | 34 33 ddd 2H J 57 83 123 | 26 25 p 1H J 62 | 22 21 m 4H | 19 18 m 2H | 14 13 m 2H | 13 13 m 1H | 13 13 m 6H | 13 12 q 4H J 62 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2[nH]c(C(=O)Oc3ccccc3)c(Sc3ccc(Cl)cc3)c2c1
ir: 4 3 6 8 6 4 4 3 5 6 6 9 4 3 0 5 33 21 6 3 3 7 26 39 6 2 3 4 4 14 4 5 4 2 7 12 8 29 23 31 29 18 11 4 4 12 5 3 3 3 3 6 18 41 100 8 6 3 2 3 2 1 3 3 6 4 5 10 18 7 5 5 8 5 4 4 2 5 5 5 2 2 4 3 4 4 4 3 2 22 7 5 20 3 6 4 2 2 3 5 11 8 4 3 2 6 3 32 49 2 4 2 1 3 4 2 12 6 6 6 13 12 8 4 4 9 8 4 3 5 3 2 3 5 21 14 8 6 3 27 5 6 9 84 46 52 19 83 5 8 11 40 53 20 5 3 8 4 3 14 2 3 3 3 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 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 2 3 2 2 2 3 2 1 2 3 3 1 2 4 5 3 5 10 12 32 52 49 52 43 27 23 7 2 5 4 4 2 3 5 2 1 3 3 3 3 3 3 7 2 3 3 4 37 66 42 5 6 3 3 2 2 4 3 1 2 2 2 1 2 3 2 1 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1; 1HNMR: 100 100 s 1H | 78 78 dd 1H J 10 19 | 76 75 m 1H | 75 74 m 2H | 74 74 m 4H | 74 73 d 1H J 71 | 73 72 m 2H | 70 70 ddd 1H J 9 22 77 | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nccc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)oc12
ir: 0 7 4 11 5 2 2 3 3 3 4 2 4 11 3 3 1 2 1 2 1 3 3 4 0 2 3 7 29 28 35 7 4 4 10 6 3 7 6 4 2 3 7 16 6 8 2 2 2 2 6 3 2 2 3 2 9 6 5 1 4 3 3 0 2 3 2 1 3 3 1 1 1 1 1 1 1 6 2 3 2 4 3 7 2 2 1 1 1 1 1 1 2 1 1 4 7 3 5 4 7 3 5 1 2 1 1 1 2 2 5 12 6 1 3 2 5 10 3 8 6 3 4 6 4 4 4 7 3 2 7 20 3 4 3 3 23 5 28 3 3 5 2 12 100 22 15 6 8 33 24 5 7 4 2 0 1 2 1 4 1 1 1 0 20 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 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 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 2 5 3 8 12 22 17 53 31 16 3 2 2 2 1 3 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 7 15 6 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 44 | 78 77 m 2H | 75 75 d 1H J 46 | 75 75 s 1H | 75 74 m 6H | 74 73 m 1H | 63 63 s 1H | 39 39 s 3H | 24 23 dt 2H J 75 132 | 21 21 dt 2H J 75 132 | 18 17 pd 2H J 18 74 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)Cc1ccnc(F)c1
ir: 3 5 5 7 14 10 5 7 6 8 5 9 10 11 7 7 10 6 4 3 3 4 3 10 22 12 5 3 3 3 3 25 32 8 9 7 3 4 3 1 2 5 5 13 9 9 8 3 4 7 2 2 3 4 5 5 13 8 6 3 6 3 5 8 20 10 100 41 14 8 13 8 16 8 9 16 4 7 3 5 8 12 17 21 51 47 5 10 14 22 64 6 5 5 7 4 6 6 17 10 19 11 5 5 9 4 4 5 21 32 5 3 4 4 3 4 7 5 4 5 9 24 6 16 17 8 9 4 5 9 9 6 10 17 27 20 31 7 2 4 5 3 2 5 5 2 11 21 9 3 4 4 5 2 3 3 3 4 4 24 96 25 4 9 4 0 2 5 2 1 3 4 2 1 2 4 2 2 3 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 2 2 3 4 2 3 4 4 1 3 6 5 8 23 34 32 19 83 23 7 8 3 4 4 4 3 2 3 2 3 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 1 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 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 83 82 dd 1H J 48 55 | 73 73 ddt 1H J 9 21 55 | 71 70 ddd 1H J 11 21 120 | 36 36 t 2H J 9 | 26 25 q 4H J 67 | 11 10 t 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)C2CCN(c3csc4ccccc34)CC2)sn1
ir: 6 5 5 4 3 7 11 7 23 3 1 2 4 2 0 3 3 1 1 2 5 2 1 2 3 5 1 2 2 1 1 2 3 2 2 7 5 3 2 3 9 5 19 12 3 2 3 4 3 4 2 3 2 2 3 19 20 24 51 100 36 2 4 6 3 6 7 15 4 7 6 5 6 7 15 23 14 1 4 3 2 2 4 3 4 11 5 10 2 1 3 5 2 2 2 2 3 6 11 13 2 2 3 3 1 2 7 5 11 23 9 4 4 9 4 4 0 3 4 2 0 4 7 3 3 4 5 7 7 8 4 4 7 6 4 1 12 7 7 12 7 2 2 2 1 4 4 25 13 78 70 3 23 2 10 3 3 3 70 9 3 6 3 0 2 3 2 0 2 4 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 2 2 3 2 2 3 5 5 2 6 28 4 11 11 38 20 28 24 20 5 4 3 3 2 1 2 3 3 1 3 2 2 2 5 7 1 4 9 19 26 8 4 7 2 2 3 2 1 2 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 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 96 95 s 1H | 79 79 m 1H | 78 77 dd 1H J 15 65 | 75 74 td 1H J 13 68 | 74 73 m 1H | 69 69 d 2H J 44 | 39 38 ddd 2H J 59 87 124 | 33 32 ddd 2H J 59 87 123 | 27 26 p 1H J 51 | 24 24 s 2H | 23 22 dddd 2H J 51 59 86 136 | 20 19 dddd 2H J 51 59 86 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC[C@@H]1CC[C@@H](c2ccc(C(=O)Cl)cc2)CC1
ir: 7 5 4 5 6 6 4 5 6 5 4 5 5 4 4 5 5 4 4 5 6 5 30 63 17 7 9 7 6 5 5 6 6 4 5 13 15 6 5 7 6 5 6 6 5 4 4 6 7 4 5 6 8 16 63 12 27 14 5 6 7 3 5 8 14 4 5 6 4 3 9 7 5 4 5 6 6 4 5 6 4 4 5 5 4 4 5 7 6 6 7 6 4 4 8 7 0 29 9 6 5 6 7 11 8 13 13 11 14 24 13 12 9 7 8 8 7 7 7 13 14 8 8 9 14 28 10 6 5 5 6 5 4 6 8 7 3 26 75 12 8 4 4 6 5 4 5 5 5 23 9 13 6 9 6 5 5 5 5 4 5 5 6 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 5 6 6 7 7 9 10 7 9 6 7 9 6 8 16 17 8 16 100 19 13 9 7 6 6 7 7 5 5 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4; 1HNMR: 80 79 m 2H | 74 73 m 2H | 26 25 m 1H | 18 17 m 2H | 16 11 m 15H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H](c3ncc4c(Cl)nccn43)C2)cc1
ir: 11 8 5 6 17 14 22 32 99 34 18 8 21 24 14 14 23 11 3 4 5 1 0 5 13 93 13 2 1 4 6 17 14 6 4 7 19 3 3 1 2 2 2 1 4 4 7 5 5 12 15 18 10 22 5 2 2 3 2 1 8 6 11 4 10 12 7 9 20 14 2 100 37 7 8 7 6 1 7 3 1 11 32 3 4 14 89 6 5 53 43 21 23 34 41 17 15 6 4 6 2 3 6 7 2 3 5 9 6 5 8 4 7 2 2 2 5 3 5 6 9 7 5 12 12 35 25 11 7 2 2 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 2 35 8 7 2 1 2 1 1 1 1 2 2 1 4 24 2 1 3 2 2 2 1 1 1 1 1 1 1 1 1 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 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 3 7 9 23 12 19 9 22 25 52 14 29 19 11 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 68 | 79 78 d 1H J 66 | 77 76 m 2H | 75 74 m 2H | 72 71 s 1H | 42 41 dd 1H J 63 118 | 40 39 dd 1H J 62 118 | 32 31 pd 1H J 26 70 | 24 24 d 3H J 8 | 23 22 m 1H | 22 21 m 2H | 20 19 ddd 2H J 70 78 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCSCCC(F)(C(F)(F)F)C(F)(F)F
ir: 8 12 5 4 4 3 0 5 4 3 1 2 4 2 2 17 4 3 1 3 2 2 1 2 7 5 2 2 2 2 2 2 2 2 2 3 6 8 3 4 4 4 2 3 2 3 2 3 5 12 7 4 2 1 2 4 2 1 6 9 23 17 7 5 4 1 3 5 3 1 4 6 4 0 21 39 7 5 5 9 10 6 16 18 27 35 41 36 34 88 74 89 30 12 5 7 21 18 35 7 11 5 11 8 10 100 16 12 7 4 2 4 4 6 94 13 10 30 16 7 5 4 4 4 3 3 3 4 2 3 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 3 3 2 1 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 2 2 2 2 2 2 3 3 2 3 4 7 7 7 19 10 3 6 6 3 5 6 12 48 10 6 5 3 2 3 7 4 7 33 31 14 9 9 10 6 2 5 2 3 2 3 3 2 2 2 3 1 3 3 5 2 3 3 2 2 2 3 2 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 38 37 dt 2H J 46 56 | 28 28 td 2H J 33 51 | 27 27 t 2H J 46 | 25 25 t 1H J 57 | 21 20 dtq 2H J 23 49 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=C(c2ccc(/C=C/C(=O)O)cc2)c2ccc(O)c(Cl)c2)CC(C)(C)C1
ir: 3 3 4 1 3 2 2 2 3 4 4 5 15 8 8 7 7 7 6 6 7 21 93 8 17 6 6 4 2 2 3 2 3 2 6 3 4 4 5 2 1 3 1 1 1 2 3 2 7 3 2 2 4 7 49 17 6 4 2 4 2 3 4 2 3 2 9 10 11 21 4 3 2 2 4 7 5 17 56 49 14 13 14 8 6 9 11 5 100 7 6 2 4 3 3 1 2 3 4 4 31 12 1 1 2 2 2 1 2 2 1 2 8 5 3 3 0 4 3 5 12 4 4 5 6 3 6 6 11 3 5 6 5 2 3 3 2 3 3 5 4 46 8 4 4 1 3 12 6 2 5 5 31 7 4 2 1 1 1 1 1 3 1 1 1 2 1 6 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 3 1 1 1 2 1 1 1 1 0 1 1 1 1 2 1 1 3 3 1 2 5 3 5 6 15 31 19 85 20 11 3 3 3 10 8 51 49 17 3 2 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 75 75 s 5H | 75 74 d 1H J 21 | 72 72 m 3H | 69 69 d 1H J 91 | 63 62 s 1H | 62 61 d 1H J 112 | 23 23 s 4H | 14 14 s 2H | 10 9 s 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(COS(C)(=O)=O)c3nccn23)cc1
ir: 9 10 14 13 9 9 11 13 13 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 20 9 9 9 10 13 13 10 9 11 9 9 9 9 9 10 10 13 11 11 9 9 10 11 10 13 9 9 9 11 10 9 9 11 23 11 10 10 9 9 9 9 15 33 10 11 9 9 9 9 10 9 9 11 12 0 100 15 15 11 11 10 12 10 9 9 9 10 9 8 9 9 10 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 11 9 12 13 13 12 9 9 9 9 9 9 10 10 9 9 9 9 9 9 9 9 12 9 9 9 9 13 10 10 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 11 24 14 16 23 11 11 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 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: 81 81 m 2H | 80 80 d 1H J 44 | 80 79 m 2H | 78 78 m 2H | 78 77 d 1H J 44 | 74 73 m 2H | 49 49 s 2H | 32 31 s 3H | 24 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C2CCCCC2)c(N)c1C
ir: 2 3 3 3 5 2 2 3 1 1 1 1 2 2 5 6 2 4 3 5 5 1 1 2 1 1 1 3 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 0 0 0 1 1 1 1 0 1 1 1 1 2 1 1 1 0 0 0 1 1 1 1 1 1 0 1 0 0 1 2 0 1 1 0 0 1 0 0 0 0 0 1 3 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 6 2 4 1 2 3 1 1 1 1 1 1 1 1 3 1 6 2 1 1 1 2 1 1 1 2 7 2 1 2 0 0 0 1 1 13 0 0 1 1 6 0 0 0 0 1 2 1 12 42 11 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 1 1 1 0 1 0 1 1 1 5 6 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 6 17 0 0 0 0 0 0 0 0 0 2 13 100 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; 1HNMR: 46 45 s 2H | 39 38 p 1H J 39 | 23 22 s 2H | 21 20 dddd 2H J 40 53 79 140 | 20 19 s 2H | 19 17 m 5H | 16 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ncc1C
ir: 3 3 6 3 2 5 0 3 1 3 3 7 2 2 1 1 2 1 2 3 2 1 3 8 22 4 4 4 8 10 8 16 15 8 5 3 4 6 3 0 12 1 1 1 3 2 1 1 0 0 0 0 0 1 0 1 1 0 1 1 1 2 3 4 11 21 24 13 3 6 4 2 2 20 7 1 2 1 3 2 3 4 1 1 1 1 5 9 2 2 1 2 1 1 1 2 1 5 2 1 2 3 4 3 5 3 2 4 2 15 23 2 2 1 3 1 1 3 3 10 8 6 8 5 6 3 6 5 8 3 5 2 2 4 4 14 5 1 3 7 23 7 6 6 8 100 9 11 19 29 3 3 1 1 1 1 0 0 0 1 0 0 1 3 9 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 0 0 0 1 0 1 1 1 1 2 0 1 2 2 4 2 3 12 2 5 28 21 15 5 4 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 3 18 27 22 14 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 8 | 74 73 d 4H J 41 | 73 73 m 1H | 70 70 s 1H | 51 51 s 2H | 43 43 m 3H | 42 41 tdq 1H J 16 31 44 | 39 37 m 3H | 36 35 m 2H | 34 33 d 3H J 15 | 25 25 d 3H J 7 | 22 21 dddd 1H J 27 64 92 130 | 20 19 dddd 1H J 55 63 90 128 | 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.
Cc1cc(C(=O)O)ccc1NC(=O)OC(C)(C)C
ir: 4 5 1 2 2 1 1 2 5 5 3 1 2 5 3 3 6 6 5 11 7 100 30 9 3 1 2 2 5 8 10 6 4 3 7 22 6 7 4 3 2 1 1 2 1 0 1 2 1 1 1 2 2 4 13 14 13 5 1 2 1 2 2 2 1 1 2 2 1 0 2 3 1 1 2 9 18 15 3 4 15 1 1 1 1 1 5 5 1 1 1 1 1 1 2 1 0 4 9 6 9 4 1 1 1 1 1 1 1 4 1 1 0 1 3 3 18 7 4 3 2 3 3 1 8 3 3 2 3 5 6 4 1 1 1 1 3 13 3 1 1 3 2 4 4 32 10 2 4 34 7 11 18 11 1 8 8 3 2 1 1 1 1 0 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 2 8 10 5 6 18 14 3 3 2 1 1 1 0 32 25 6 2 0 1 1 2 1 1 2 2 1 2 5 9 27 4 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0; 1HNMR: 79 79 m 1H | 79 78 dd 1H J 22 84 | 73 73 d 1H J 85 | 71 71 s 1H | 23 23 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cnc3ccccc3n2)CC1
ir: 0 2 5 4 37 15 3 3 2 2 2 0 0 3 3 3 12 13 13 2 3 2 7 12 6 1 1 4 4 3 3 2 2 1 2 1 2 1 1 1 1 4 7 48 62 4 2 1 1 1 11 4 1 2 1 3 4 3 5 1 2 2 3 16 14 5 2 6 8 3 1 1 4 12 7 27 21 2 3 6 100 6 12 21 13 6 4 3 2 4 5 4 36 8 4 5 9 18 13 6 7 6 9 8 15 4 4 2 1 2 1 5 9 4 7 4 2 7 6 21 43 25 2 8 8 4 3 2 3 3 4 6 3 3 1 4 7 34 12 0 0 1 16 4 3 4 12 20 4 22 6 1 1 2 1 5 11 1 2 2 1 1 1 5 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 1 0 1 0 0 1 1 1 1 2 1 2 1 1 1 1 1 4 3 6 13 10 46 35 15 4 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H | 80 80 m 1H | 80 79 m 1H | 76 75 m 2H | 36 36 m 4H | 29 29 s 2H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCNCC3)cc1
ir: 1 0 0 0 0 1 1 2 2 1 0 3 0 1 1 1 1 2 3 13 1 4 4 2 4 4 2 1 2 1 1 3 2 4 4 3 8 4 8 9 26 15 9 3 3 10 3 3 5 5 11 43 16 5 4 1 2 1 3 3 1 1 1 1 1 3 2 2 3 3 2 1 3 13 3 2 2 1 0 0 1 1 7 1 1 1 8 1 0 5 2 1 1 1 1 1 1 2 0 0 1 1 2 1 8 3 0 1 1 1 1 3 2 6 6 7 3 10 4 9 2 5 2 3 2 5 4 2 5 4 2 4 3 3 3 2 1 1 0 2 2 2 1 4 8 2 2 14 4 30 100 21 11 27 37 2 1 0 0 0 0 0 0 15 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 2 1 1 1 1 1 1 2 3 5 4 4 13 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 40 4 9 22 14 29 8 5 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 2H | 79 79 s 1H | 77 76 m 2H | 63 62 t 1H J 38 | 41 40 qt 1H J 48 73 | 39 37 m 5H | 37 36 m 2H | 33 32 qd 2H J 37 61 | 31 30 m 6H | 27 27 t 2H J 57 | 13 13 d 3H J 73 | 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.
Cc1cc2c(cc1Cc1ccccc1)OC(C(F)(F)F)C(C(=O)O)=C2
ir: 2 1 2 1 1 2 3 3 1 1 2 2 1 13 3 1 1 1 2 3 0 9 100 13 7 1 0 2 3 1 2 3 2 1 1 2 2 2 3 2 5 3 5 17 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 13 2 2 2 1 2 4 8 4 9 6 1 1 1 1 2 2 2 2 3 2 2 1 1 1 2 4 1 2 4 2 1 2 6 1 1 1 1 1 1 1 1 2 6 4 2 3 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 3 1 1 1 9 1 1 1 1 1 2 8 8 11 1 2 1 1 2 1 2 3 2 1 1 1 1 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 4 5 13 4 2 1 2 1 1 1 3 9 22 2 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; 1HNMR: 79 78 d 1H J 17 | 73 72 m 3H | 72 72 m 3H | 68 68 d 1H J 10 | 57 56 qd 1H J 18 115 | 41 40 q 2H J 9 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(OC[C@H]2C[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1
ir: 4 2 0 2 4 1 1 2 4 3 6 6 6 2 3 5 4 2 3 2 3 1 2 2 2 1 2 6 9 1 1 2 2 1 3 8 2 1 1 3 1 0 1 2 2 1 2 3 4 3 10 17 73 89 84 47 20 17 7 6 3 2 5 3 2 3 9 4 7 4 9 19 6 3 3 3 2 1 2 5 33 7 4 3 2 1 6 6 5 6 4 5 1 2 4 7 3 11 7 8 15 13 13 7 3 5 3 3 2 2 3 2 2 9 4 2 1 2 6 7 6 7 6 11 4 8 26 10 3 13 7 13 11 7 6 3 2 3 6 5 13 27 13 2 15 52 68 100 14 4 8 12 16 10 5 2 2 4 13 11 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 0 0 1 1 0 0 1 1 0 0 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 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 1 1 2 1 2 3 4 2 1 1 3 3 2 2 5 6 14 24 23 42 3 2 2 2 2 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 84 83 d 2H J 139 | 70 69 m 2H | 69 68 m 2H | 45 44 ddd 1H J 47 74 145 | 42 41 m 1H | 40 39 m 2H | 39 38 ddd 1H J 47 74 145 | 37 37 dd 1H J 64 137 | 34 33 ddd 1H J 46 73 112 | 32 31 m 2H | 30 29 ddt 1H J 13 24 111 | 29 28 m 1H | 25 24 m 1H | 20 19 m 1H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(-n2ccc(CO)n2)cc1Cl)N1Cc2cccn2Cc2ccccc21
ir: 6 5 4 3 6 3 2 2 3 8 6 5 3 7 1 1 1 2 2 2 3 2 2 2 2 4 9 3 3 2 13 12 4 4 10 28 4 11 11 6 28 99 24 16 33 20 8 6 42 14 9 8 10 26 43 24 4 4 4 0 3 2 1 7 1 1 18 12 4 2 1 1 2 4 3 0 2 6 10 3 13 4 4 16 12 21 36 49 27 28 34 6 11 16 12 2 3 2 0 1 1 2 3 12 2 1 3 5 1 6 0 1 1 6 2 4 2 2 1 2 1 4 3 2 5 2 9 9 4 6 13 5 4 3 1 2 3 11 31 14 13 5 5 12 8 21 16 9 22 9 20 8 10 14 5 3 1 1 1 4 1 1 2 11 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 1 1 3 1 1 2 1 1 1 1 1 1 1 1 2 3 2 2 1 1 2 3 3 3 6 16 15 41 76 34 28 37 18 16 22 100 12 3 5 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 1 0 1 1 1 1 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 79 78 d 1H J 31 | 78 77 dd 1H J 22 86 | 73 72 td 1H J 17 74 | 72 72 m 2H | 71 70 td 1H J 16 74 | 68 67 ddt 1H J 9 18 49 | 67 66 dt 1H J 9 29 | 64 63 ddt 1H J 9 18 71 | 61 60 dd 1H J 48 71 | 52 51 d 2H J 9 | 51 50 d 2H J 10 | 47 46 dd 2H J 8 52 | 29 28 t 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cc([C@@H](O)CO)cc(C(F)(F)F)c1
ir: 5 7 8 12 9 14 7 4 3 11 17 3 5 3 2 2 1 2 1 1 2 1 1 1 1 1 0 1 3 3 1 5 11 11 3 0 0 1 1 2 0 1 1 0 0 2 1 0 1 1 1 1 1 1 1 1 1 1 1 3 5 4 2 1 1 2 2 1 4 1 2 2 1 1 1 0 1 1 1 1 1 2 2 2 5 6 19 100 8 11 15 48 9 7 7 4 2 2 2 6 9 1 3 1 1 1 0 2 1 1 1 1 2 10 6 4 1 1 3 3 1 2 2 1 0 2 5 7 3 7 4 3 2 1 1 1 1 0 0 0 1 0 0 0 1 1 32 13 1 0 0 1 0 1 1 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 3 2 2 5 3 4 15 6 2 1 1 2 4 8 99 22 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 t 1H J 22 | 79 78 t 1H J 24 | 77 77 m 1H | 47 47 m 1H | 42 42 d 1H J 57 | 41 40 ddd 1H J 47 60 121 | 39 38 t 1H J 60 | 38 37 ddd 1H J 47 60 123 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN=C(c2cnc(Cl)c(Cl)c2)O1
ir: 11 4 5 2 3 3 7 11 4 4 1 2 3 2 2 4 4 5 5 2 3 1 1 2 2 1 1 2 2 1 2 10 8 5 12 100 5 4 6 6 7 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 3 1 2 2 2 2 3 3 2 2 4 10 8 0 2 3 1 1 2 2 1 1 2 4 2 3 56 20 6 5 6 4 2 2 3 2 1 2 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 2 2 3 5 6 4 4 4 2 2 4 20 80 37 3 2 5 3 1 0 2 3 1 1 3 5 1 2 12 72 46 6 2 2 2 1 2 2 2 2 2 9 3 2 2 2 1 2 7 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 22 4 6 3 14 8 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 88 87 d 1H J 16 | 81 80 d 1H J 16 | 41 41 s 2H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.