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Cc1ccc(N2CCN(C(=O)Nc3cccc4cnccc34)CC2)cc1C
ir: 2 6 8 13 13 5 2 4 2 2 1 2 10 11 8 4 4 9 2 4 4 3 17 8 4 6 8 10 8 3 2 3 4 3 3 5 4 6 7 45 13 15 27 17 10 25 25 44 15 5 9 9 25 19 19 9 3 0 2 4 3 1 2 4 3 4 4 4 9 4 14 7 11 18 6 6 2 5 7 16 19 9 4 3 3 2 12 12 9 5 5 3 2 5 3 9 6 7 10 8 2 4 7 4 1 3 2 3 4 3 7 15 22 16 5 6 0 3 4 2 1 2 3 1 1 2 3 2 1 5 6 4 1 4 3 5 10 5 12 12 2 4 4 4 51 100 39 21 44 76 79 48 61 34 7 7 2 4 4 7 14 5 4 20 6 4 4 2 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 2 3 3 2 2 3 2 3 5 4 13 16 21 79 46 28 7 4 2 1 1 2 1 1 1 2 1 1 2 2 2 4 4 4 11 9 37 32 22 18 3 3 2 2 3 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 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; 1HNMR: 89 89 dd 1H J 13 21 | 86 86 dd 1H J 14 45 | 82 81 s 1H | 78 78 m 1H | 78 77 dt 1H J 18 81 | 75 74 dd 1H J 16 80 | 74 74 m 1H | 69 69 dq 1H J 10 86 | 67 67 dd 1H J 20 86 | 66 66 m 1H | 36 35 m 4H | 33 32 m 4H | 23 23 d 3H J 10 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c[nH]c2cc(C(F)(F)F)ccc12
ir: 4 4 6 15 10 4 3 3 3 3 3 3 9 4 11 4 4 7 4 5 7 4 6 3 3 4 5 53 5 49 0 5 4 5 5 8 3 3 3 3 3 3 3 4 5 3 3 4 3 3 3 4 3 0 25 13 21 5 3 3 3 3 3 3 3 6 21 4 20 5 5 4 3 3 6 5 4 3 3 3 3 3 3 3 3 4 3 3 5 4 4 3 3 3 5 7 15 10 4 100 7 6 2 10 5 14 3 7 15 4 41 17 33 4 5 4 3 3 4 5 4 5 53 17 21 8 6 3 2 4 5 3 2 4 4 3 2 3 4 4 30 11 4 2 2 17 32 8 9 10 4 2 4 16 15 5 3 8 35 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3 4 3 3 3 3 3 3 3 3 4 5 7 3 6 10 25 47 14 19 17 40 5 3 3 4 3 4 4 5 3 3 3 7 3 5 4 4 4 4 3 14 22 27 33 25 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 81 81 d 1H J 106 | 80 80 d 1H J 74 | 78 78 dt 2H J 10 18 | 75 75 ddt 2H J 12 22 106
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](C(=O)Nc1cccc(C#N)c1)N1Cc2c(Cl)cnc3[nH]cc(c23)C1=O
ir: 3 1 3 2 1 3 2 2 9 4 3 3 1 2 3 1 3 2 5 1 2 2 2 1 1 4 4 0 100 8 2 4 5 7 19 29 13 34 36 5 4 4 7 7 8 9 9 9 27 5 6 1 3 1 2 1 2 3 1 3 1 1 1 1 5 1 3 4 4 5 2 1 1 1 1 0 1 1 5 2 1 2 0 4 2 2 1 1 2 3 2 3 13 7 3 2 3 7 2 1 3 2 1 1 4 23 10 4 2 1 1 3 3 2 1 2 2 1 2 6 7 14 2 3 5 6 9 8 6 15 4 3 2 2 2 5 6 3 3 5 4 5 7 4 6 16 22 11 8 4 2 12 32 43 64 43 5 3 3 3 5 8 3 0 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 2 1 1 1 1 1 1 2 2 1 1 2 1 3 7 5 15 58 8 3 6 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 8 6 11 12 20 9 8 4 5 2 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 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: 98 97 d 1H J 71 | 90 90 s 1H | 82 81 s 1H | 79 78 m 2H | 78 77 m 1H | 75 74 m 2H | 52 51 d 1H J 154 | 50 49 d 1H J 156 | 47 46 ddq 1H J 16 31 75 | 23 22 m 1H J 72 | 10 9 ddd 6H J 15 72 192
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc2cn[nH]c2cc1OCCCl
ir: 4 7 9 16 19 19 15 8 18 10 1 7 38 53 10 16 10 3 1 3 1 3 2 1 2 3 2 1 1 6 26 26 1 5 3 2 3 14 5 4 19 14 4 2 6 5 1 0 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 3 6 22 35 11 22 27 3 1 2 1 1 1 6 14 4 1 1 1 1 1 3 38 1 22 4 2 2 1 0 1 1 1 1 2 3 6 4 14 9 5 4 10 7 2 2 1 1 8 57 32 8 10 6 1 1 1 1 1 4 8 2 3 1 2 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 3 4 2 5 9 1 2 3 16 59 36 25 38 15 4 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 1 3 5 2 1 1 2 4 15 10 3 20 34 25 5 3 4 1 1 0 0 1 1 0 0 1 1 1 1 4 29 40 3 1 1 1 4 9 12 8 10 13 29 100 6 1 1 2 1 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 17 | 73 73 d 1H J 17 | 70 70 s 1H | 48 48 s 2H | 43 43 t 2H J 22 | 38 38 t 2H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1C(=O)N(CCCCN2CCCCC2)CCN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1
ir: 10 5 6 5 15 4 0 5 6 2 0 2 4 6 4 8 3 5 2 6 3 4 2 1 2 1 2 3 3 12 3 4 6 9 4 6 5 3 14 21 15 8 2 2 2 3 3 3 3 3 2 2 7 9 30 14 6 1 5 5 7 7 2 1 7 10 14 9 10 2 7 6 7 11 4 2 3 10 29 31 31 25 9 9 10 13 11 4 3 1 4 6 18 4 6 9 6 4 7 5 8 15 14 23 6 4 4 4 3 9 30 10 7 8 7 9 10 6 7 12 29 45 21 4 5 4 6 6 6 9 11 29 14 9 9 8 4 26 20 10 11 8 10 3 7 6 6 25 45 82 53 7 2 14 3 2 1 2 6 7 1 0 1 1 1 0 1 1 4 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 1 1 1 1 2 3 2 1 4 6 5 3 7 6 2 8 5 8 29 32 35 52 100 19 9 3 3 5 3 1 1 1 1 1 1 2 1 1 2 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 65 65 d 1H J 159 | 48 47 q 1H J 67 | 37 37 ddd 1H J 32 59 114 | 36 36 ddd 1H J 33 59 115 | 35 34 ddd 1H J 33 59 117 | 33 32 m 2H | 31 31 m 1H | 27 26 m 2H | 25 24 m 4H | 16 15 m 9H | 15 14 m 2H | 13 13 d 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClC(Cl)(Cl)C1Nc2ccccc2CO1
ir: 4 4 10 3 6 5 7 2 3 2 2 2 3 2 2 4 2 2 2 2 3 7 8 2 2 7 4 3 2 2 2 3 2 15 3 4 2 2 4 7 7 4 100 0 3 4 4 2 2 3 3 5 3 3 3 6 2 3 3 1 2 3 6 2 2 3 23 3 5 4 2 5 12 3 4 3 2 2 2 2 9 3 2 3 4 9 3 2 5 16 4 2 2 3 2 2 2 5 2 2 3 7 2 2 2 4 4 3 5 13 4 2 2 2 3 6 5 4 3 3 2 2 2 2 4 3 2 2 2 2 2 3 3 5 3 13 13 3 2 2 3 4 21 88 3 3 3 2 2 5 48 6 3 2 3 3 2 2 3 2 11 8 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 3 2 2 2 2 3 4 4 10 4 8 38 10 22 3 2 3 2 3 3 4 2 2 2 2 3 3 3 3 3 3 3 6 9 16 77 40 8 13 5 4 2 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 ddt 1H J 9 18 78 | 72 70 m 2H | 68 68 dd 1H J 15 80 | 57 57 d 1H J 29 | 51 50 dd 1H J 7 137 | 50 50 d 1H J 27 | 50 49 dd 1H J 8 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4
ir: 6 12 18 9 15 20 16 7 1 8 13 7 1 16 15 9 8 10 16 8 4 13 16 5 10 16 15 9 5 11 11 17 6 15 11 2 4 12 9 2 5 17 16 10 6 14 9 5 13 18 19 6 7 13 9 0 10 17 8 2 12 20 9 0 12 19 7 0 9 18 20 26 25 20 9 10 18 31 5 3 17 16 6 5 10 10 3 4 14 15 5 15 16 15 8 13 21 15 4 13 28 19 10 12 20 12 5 16 39 22 18 13 10 18 27 28 26 27 19 17 29 22 6 19 24 27 26 16 16 6 7 18 28 19 4 12 25 10 6 13 14 4 4 67 100 11 10 10 11 6 5 11 9 4 6 11 8 2 6 12 8 2 6 12 8 1 6 12 7 1 7 13 6 1 7 12 6 1 7 12 6 2 8 11 5 2 8 11 5 3 9 10 4 3 9 10 4 3 9 10 4 4 10 9 3 4 10 9 3 5 11 8 3 5 11 8 2 5 11 7 2 6 12 7 1 6 12 7 1 7 12 6 1 7 12 6 2 8 11 5 2 8 11 5 3 8 11 5 3 9 10 4 4 9 9 4 4 10 10 4 4 10 9 3 5 11 9 5 6 12 11 6 7 15 11 9 12 25 18 6 21 23 13 25 32 21 11 3 9 12 7 2 8 11 6 3 7 10 6 3 8 10 5 3 8 10 5 4 8 9 4 4 9 9 4 4 9 9 4 5 9 8 3 5 10 8 3 5 10 8 3 6 10 7 3 6 11 7 2 6 11 7 2 7 11 6 2 7 11 6 3 7 10 6 3 8 10 5 3 8 10 5 4 8 9 5 4 8 9 4 4 9 9 4 5 9 8 4 5 9 8 4 5 10 8 3 6 10 7 3 6 10 7 3 6 10 7 3 6 11; 1HNMR: 60 59 d 1H J 37 | 34 33 qd 1H J 68 77 | 23 22 ddddd 1H J 25 38 49 66 76 | 22 21 m 2H | 19 18 m 4H | 18 16 dpd 1H J 42 70 84 | 16 15 m 2H | 15 14 s 2H | 13 12 m 1H | 13 12 d 3H J 77 | 9 9 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCNCc1ccc(Br)nc1
ir: 6 4 8 5 4 3 4 4 4 5 9 7 4 5 7 2 1 3 3 2 1 2 3 2 3 13 8 2 3 5 7 10 9 27 13 17 12 7 15 9 12 11 28 47 30 33 23 25 25 11 14 20 12 22 26 14 9 22 13 12 4 5 5 3 8 11 19 28 21 19 7 6 4 10 10 5 4 6 4 4 3 4 3 5 6 14 9 8 62 72 76 89 16 10 9 9 6 9 6 5 2 5 5 13 32 27 25 52 39 19 23 38 43 13 2 4 11 8 2 7 9 10 7 20 15 11 3 11 9 8 46 48 39 5 9 13 58 9 5 5 5 2 2 4 4 4 4 18 16 4 2 5 9 2 4 6 4 2 4 23 8 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 2 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 2 0 2 3 2 2 3 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 3 3 1 3 6 6 3 3 3 2 1 5 4 4 2 10 9 12 45 27 10 9 6 6 9 28 25 12 4 4 3 5 3 5 2 11 12 94 100 71 23 5 4 3 3 3 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 84 dt 1H J 9 20 | 76 75 ddt 1H J 9 19 77 | 73 73 d 1H J 78 | 41 40 dt 2H J 9 64 | 39 38 t 1H J 56 | 37 36 q 2H J 56 | 36 35 tt 1H J 52 64 | 29 28 q 2H J 55 | 18 17 p 2H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCCn2nc(C(F)(F)F)cc21
ir: 15 4 1 4 7 7 0 4 5 3 2 4 6 3 1 5 6 4 4 7 11 10 5 12 18 3 2 6 7 6 5 5 7 3 4 8 6 2 3 7 14 18 42 21 41 10 11 18 45 13 11 8 3 4 4 7 3 1 3 6 3 0 4 5 3 1 4 6 6 2 4 4 3 4 28 17 7 2 16 12 2 1 4 7 1 1 4 4 1 2 5 5 1 2 5 5 3 12 100 0 4 2 3 3 1 3 4 3 2 6 10 11 6 20 34 25 2 13 22 15 16 7 11 6 12 7 8 5 2 15 14 6 3 6 4 36 26 5 4 3 2 5 7 11 8 7 4 2 3 4 3 3 6 14 62 44 51 7 11 3 3 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 1 2 4 2 0 3 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 4 3 1 2 4 3 1 2 4 4 2 5 7 5 2 4 7 3 2 4 13 8 7 5 10 6 17 25 9 3 1 4 6 3 1 3 5 3 3 3 6 2 4 4 4 6 4 12 74 29 14 10 16 5 4 5 4 1 2 4 3 2 3 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 74 73 q 1H J 17 | 68 68 t 1H J 38 | 42 41 t 2H J 58 | 34 33 td 2H J 37 59 | 21 20 p 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(C(F)(F)F)c2-c2ccc(F)cc2)C1
ir: 5 9 3 2 0 2 2 1 0 4 3 2 2 2 2 1 1 1 4 1 1 4 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 2 7 3 7 5 11 10 3 3 3 1 10 15 3 4 4 4 3 14 14 5 2 5 7 1 1 2 1 1 1 1 2 9 1 1 1 2 2 1 2 5 3 9 11 2 2 1 2 1 2 5 11 7 5 3 3 2 2 2 22 7 21 42 9 5 23 9 4 2 0 1 1 3 6 2 13 10 7 9 18 19 11 2 3 4 5 5 4 4 4 7 3 2 5 10 9 2 1 4 3 2 1 5 11 4 4 11 5 3 3 6 19 5 2 3 3 2 1 2 2 2 1 2 1 0 2 3 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 2 5 6 11 4 3 3 3 2 5 2 6 22 18 21 100 23 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 76 75 m 2H | 74 73 dd 1H J 78 107 | 72 71 m 2H | 45 45 s 2H | 44 43 m 2H | 38 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1C(=O)OCc1ccccc1
ir: 5 16 10 5 4 3 3 3 4 11 13 11 20 10 11 16 12 14 8 20 52 68 44 15 6 8 4 5 3 4 4 5 4 3 3 4 3 3 3 35 34 12 10 4 2 3 3 2 3 2 2 2 2 2 2 4 4 4 3 7 2 3 3 3 5 5 3 6 4 5 2 4 5 4 4 7 6 35 39 17 10 6 3 3 5 4 3 4 6 11 4 2 3 3 4 3 4 9 8 4 4 4 5 9 6 10 12 6 5 6 7 8 3 3 4 4 4 3 3 3 6 5 4 3 4 6 9 7 4 4 6 5 6 23 8 7 5 4 3 5 6 5 22 34 35 100 8 7 4 2 32 34 3 2 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 4 4 5 5 6 6 15 9 15 26 29 15 8 1 3 4 3 0 35 59 42 7 2 1 2 3 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 d 4H J 43 | 73 73 m 1H | 51 51 s 2H | 44 43 ddt 1H J 13 55 69 | 42 41 dtp 1H J 17 32 46 | 25 24 ddqt 1H J 17 32 48 64 | 22 21 dddd 1H J 18 33 53 126 | 20 19 m 2H | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OCCN1Cc1ccc(F)cc1
ir: 4 10 14 8 9 2 3 5 8 2 1 2 3 1 5 4 7 1 3 3 5 2 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 2 4 3 3 0 1 3 2 0 2 4 3 0 2 5 4 1 13 13 12 11 2 3 2 1 2 3 1 1 2 6 5 4 2 3 1 0 2 3 1 1 2 2 1 1 3 3 2 6 6 2 2 1 3 2 1 1 3 3 5 11 5 3 1 1 3 2 0 1 3 2 1 1 4 2 1 2 4 2 4 6 13 6 10 9 6 6 4 6 5 1 1 3 3 3 10 6 4 2 1 2 2 1 1 2 2 1 2 3 11 15 7 15 100 64 50 4 2 1 1 3 2 0 2 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 2 3 2 1 2 5 10 13 14 12 11 5 4 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 73 73 ddt 2H J 8 35 81 | 71 70 m 2H | 46 45 t 2H J 9 | 43 42 m 2H | 36 36 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)cs1
ir: 2 3 4 6 3 8 6 6 10 6 4 3 3 5 4 3 4 9 8 8 4 2 10 10 7 21 8 22 20 25 14 4 6 7 7 12 6 6 11 13 4 11 46 11 4 2 3 5 2 1 5 36 56 6 9 7 5 4 1 1 2 2 3 4 2 6 2 2 2 2 6 7 3 1 2 2 6 4 2 3 10 3 5 2 2 1 0 1 1 1 1 3 4 2 1 2 2 1 1 1 2 1 0 1 2 1 2 7 6 7 3 13 4 1 1 2 2 2 0 1 2 2 2 3 5 4 2 13 15 4 2 2 2 6 5 3 4 2 8 13 15 63 17 8 11 9 70 8 4 13 11 13 100 27 13 13 24 4 23 8 2 0 97 4 24 1 1 1 0 0 1 1 0 1 1 1 1 1 0 1 1 1 1 0 0 0 0 1 0 0 1 1 1 1 0 1 0 0 1 1 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 2 1 1 2 3 1 2 1 2 4 8 20 19 6 4 9 25 8 7 2 2 1 1 1 1 1 2 2 1 2 1 4 17 3 3 4 2 23 85 19 20 7 3 4 17 20 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 0 0 0 0 1 1 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1; 1HNMR: 84 84 d 1H J 16 | 78 78 d 1H J 18 | 73 73 dd 1H J 58 70 | 73 72 s 2H | 71 71 d 1H J 71 | 50 50 p 1H J 22 | 21 20 m 2H | 19 17 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c([C@@H]2CN3CCNC[C@H]3CO2)ccc(F)c1C#N
ir: 0 0 1 1 0 1 2 3 3 1 1 3 1 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 3 1 0 1 1 1 3 1 4 2 1 1 1 3 5 1 3 7 10 5 8 9 7 3 2 1 10 15 5 1 1 1 3 1 0 1 2 9 4 1 1 1 0 1 11 12 2 1 1 1 5 6 2 0 0 2 1 1 1 1 1 1 3 4 1 2 1 1 1 1 2 2 13 30 16 3 4 9 5 2 3 1 2 2 4 3 2 2 1 1 2 1 2 3 2 1 0 0 1 1 0 0 1 1 1 0 5 4 2 0 2 1 0 0 3 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 3 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 4 2 3 13 3 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 2 0 3 100 16 2 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 1H | 72 71 dd 1H J 82 102 | 48 48 m 1H | 39 39 dd 1H J 22 110 | 38 37 dd 1H J 49 110 | 31 31 dd 1H J 17 118 | 30 28 m 6H | 27 27 dt 1H J 45 119 | 25 24 tt 1H J 21 49 | 24 24 s 2H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)n1cnc(-c2ccc(C(N)=O)cc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1
ir: 16 10 22 12 8 9 7 18 11 15 15 10 11 12 12 21 13 10 10 9 11 10 13 10 7 9 8 7 11 7 8 10 9 8 8 7 6 10 7 6 6 7 5 7 10 9 6 4 6 6 5 5 8 9 18 9 28 30 11 8 9 16 18 8 8 14 10 10 8 7 22 9 8 11 16 5 11 9 7 10 9 15 8 6 8 10 7 6 8 17 11 8 7 6 7 10 31 8 9 6 6 8 11 14 9 14 10 9 8 15 8 14 39 17 14 14 24 16 23 34 0 25 20 20 13 9 13 18 22 22 51 25 9 8 9 6 9 8 9 12 34 31 13 27 13 8 14 7 8 8 11 26 14 25 20 44 39 31 10 10 7 5 6 6 5 4 5 6 11 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 7 7 7 7 14 6 7 10 17 9 13 13 13 11 16 6 16 23 44 47 52 72 49 100 15 11 9 7 7 7 5 5 6 5 5 5 5 6 7 9 6 5 5 5 5 5 5 5 9 11 9 74 41 8 9 6 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 6 6 6 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 82 81 d 1H J 16 | 81 81 d 1H J 16 | 80 79 m 2H | 78 78 m 2H | 67 66 s 2H | 43 42 pq 1H J 16 57 | 37 36 ddd 2H J 55 82 121 | 34 33 ddd 2H J 55 82 121 | 30 30 d 3H J 14 | 22 21 ddt 2H J 55 82 119 | 20 19 ddt 2H J 55 82 119 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)OCC)cn2C1CC1
ir: 6 5 4 2 2 1 2 4 0 2 2 1 1 2 8 7 6 5 6 7 7 2 2 1 1 2 1 1 0 1 3 2 10 2 2 1 5 8 4 18 7 6 11 6 2 2 2 1 4 11 23 7 2 5 1 2 1 2 1 0 1 2 1 5 2 1 2 0 2 2 4 3 3 3 3 4 5 15 11 1 2 1 3 1 1 1 15 1 4 1 1 1 1 2 6 1 9 3 3 1 2 1 3 11 11 2 2 1 2 1 0 2 1 3 5 3 3 14 6 2 1 1 0 1 1 2 0 11 2 4 1 1 2 13 0 41 3 0 1 1 1 0 1 5 1 4 3 10 10 25 8 3 3 2 2 1 9 3 1 2 7 4 2 19 2 1 1 1 1 0 1 1 1 0 1 5 10 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 2 1 1 1 1 4 18 3 4 10 2 1 2 3 16 7 5 3 1 1 0 1 1 1 1 1 2 100 3 2 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 87 87 d 1H J 16 | 43 42 q 2H J 71 | 41 41 pd 1H J 18 62 | 34 33 s 1H | 14 13 m 1H | 13 12 m 4H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)COC(=O)CCSc1cc(F)cc(C2(O)CCOCC2)c1
ir: 48 40 15 33 37 54 18 25 40 67 46 16 27 16 4 15 17 7 22 17 42 8 7 15 18 10 9 8 6 3 2 12 22 7 3 6 6 2 7 8 14 6 7 9 10 9 14 12 7 7 9 14 12 14 9 18 10 7 6 14 5 3 7 17 44 33 28 42 30 14 18 17 19 29 31 18 31 5 8 7 5 11 25 41 20 20 22 11 13 27 63 46 22 63 39 32 20 23 9 18 50 21 30 25 8 15 22 22 24 28 22 16 13 10 16 20 27 41 17 47 26 17 22 22 23 23 12 22 5 17 22 16 31 14 12 4 5 6 7 3 3 5 9 10 77 90 18 13 5 8 10 4 4 7 4 1 3 12 36 20 13 17 14 3 3 6 3 0 3 5 3 0 3 6 2 0 4 7 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 1 1 4 4 1 2 5 4 1 2 5 4 2 2 5 4 1 2 6 3 1 2 5 3 1 3 5 3 0 3 6 3 0 3 6 3 0 4 5 3 1 4 5 2 1 4 5 3 2 4 5 2 3 4 5 3 2 5 6 3 3 6 5 2 2 5 4 3 4 5 5 4 7 11 10 13 15 20 17 11 7 10 16 16 20 28 48 30 50 53 56 30 23 23 25 85 100 77 10 5 6 5 2 1 4 5 2 1 4 5 1 1 4 4 2 1 4 4 1 2 4 4 2 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1; 1HNMR: 72 72 t 1H J 21 | 69 69 dt 1H J 22 121 | 69 68 dt 1H J 22 121 | 41 41 dd 1H J 63 113 | 39 38 m 3H | 38 37 ddd 2H J 37 64 114 | 35 34 s 1H | 32 31 t 2H J 68 | 27 26 t 2H J 68 | 23 23 ddd 2H J 38 66 148 | 21 20 ddd 2H J 38 64 146 | 17 15 tddd 1H J 15 49 66 82 | 16 14 m 2H | 14 12 m 7H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(C)c3ccn(C(=O)OC(C)(C)C)c3n2)cc1F
ir: 0 0 1 1 1 1 1 1 4 1 4 4 1 1 1 0 2 6 12 1 0 1 0 1 0 0 1 8 1 0 0 0 0 1 0 3 0 0 0 1 0 1 0 0 0 0 0 1 0 0 4 100 4 2 1 1 1 2 0 0 1 1 3 2 1 1 1 2 6 2 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 0 1 1 0 1 1 0 0 1 5 1 3 1 1 1 0 5 19 1 1 3 2 2 3 1 1 2 0 1 1 11 8 1 1 0 1 5 4 12 2 9 1 8 32 10 19 5 1 2 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 2 4 4 1 6 3 9 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 68 | 77 76 dd 1H J 21 103 | 75 75 dd 1H J 22 121 | 72 71 dd 1H J 47 103 | 67 67 d 1H J 70 | 39 39 s 3H | 28 27 s 3H | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(C)N=C(SCc2ccc(OC)cc2)N(C(=O)OCC)C1c1cccc(Cl)c1
ir: 3 4 4 7 7 3 7 4 6 3 6 4 5 15 17 22 7 2 1 2 1 1 0 1 1 0 1 1 1 1 2 1 2 4 14 4 3 2 5 3 9 4 4 10 6 13 4 3 7 7 2 2 2 3 3 21 13 5 2 4 2 8 5 5 2 3 5 4 8 2 2 3 3 4 4 3 7 3 22 6 1 3 5 3 3 4 36 16 5 1 2 3 1 2 6 1 4 4 2 2 0 1 1 1 1 2 5 2 2 3 2 12 6 5 9 6 5 9 7 8 4 4 4 12 4 9 8 10 6 4 4 5 4 3 6 3 3 4 2 5 26 8 2 6 27 5 6 15 33 100 13 24 78 24 12 1 2 2 1 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 2 1 1 1 2 1 1 3 4 5 4 2 3 4 5 13 7 42 31 20 10 7 6 2 2 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 1H | 74 73 m 2H | 73 73 ddd 1H J 14 22 77 | 72 71 dq 2H J 9 78 | 69 68 m 2H | 66 66 q 1H J 10 | 45 44 d 2H J 10 | 43 42 q 2H J 66 | 42 41 q 2H J 70 | 38 38 s 2H | 26 26 d 3H J 11 | 13 12 t 3H J 66 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(Br)CC(COC(C)=O)COC(C)=O
ir: 5 6 6 6 5 7 6 6 10 7 6 6 5 5 7 6 6 9 17 14 48 8 5 18 14 43 68 6 3 12 13 5 8 15 8 4 5 7 6 4 5 6 6 4 6 8 6 4 7 10 7 7 8 8 6 4 6 7 6 4 8 9 9 7 10 12 10 11 24 43 37 12 64 24 24 10 8 11 7 5 6 6 5 5 6 6 5 5 6 6 5 5 6 7 6 7 16 7 6 8 11 29 16 23 37 8 5 6 15 16 10 22 14 11 6 8 7 22 23 16 14 23 40 35 43 26 14 15 7 10 8 6 7 9 6 7 6 6 7 4 11 10 8 7 80 100 0 12 10 8 4 9 7 4 10 13 10 4 5 7 6 4 5 7 6 4 5 7 5 4 5 7 5 3 5 7 5 4 5 7 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 4 4 6 6 4 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 7 8 10 10 9 10 10 8 16 14 13 14 42 52 13 19 37 21 9 9 9 12 20 22 28 20 10 6 7 6 5 4 6 6 5 5 5 6 5 4 5 6 5 4 6 6 5 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 5 5 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6; 1HNMR: 56 55 dt 1H J 15 29 | 54 54 dt 1H J 13 29 | 42 41 dd 2H J 71 115 | 40 39 dd 2H J 71 116 | 28 27 m 2H | 27 26 m 1H | 20 19 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC/C=C/c1cc(F)cc(F)c1
ir: 2 2 2 3 5 4 2 3 3 2 1 2 5 5 1 1 2 1 1 1 1 1 0 2 1 1 1 1 1 7 2 2 3 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 1 1 2 3 2 2 2 3 3 1 5 4 2 3 3 15 25 1 21 49 22 12 5 7 6 5 17 28 15 20 13 11 12 19 10 22 21 29 36 50 17 19 19 19 11 7 4 8 13 23 7 3 2 1 2 2 1 2 2 1 0 1 6 6 0 1 1 2 1 3 4 7 2 4 4 3 5 8 8 6 1 2 3 6 6 5 3 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 13 10 2 8 53 2 2 1 0 5 6 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 3 3 3 3 8 10 9 10 8 10 15 18 48 63 39 13 17 5 12 9 22 100 38 13 16 3 5 3 3 4 4 5 6 6 4 3 7 5 6 2 3 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 70 69 m 2H | 69 68 tt 1H J 22 121 | 66 66 dt 1H J 13 156 | 63 62 dt 1H J 42 156 | 43 42 ddd 2H J 13 40 55 | 35 34 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2[nH]nc(-c3ccsc3)c2CN1
ir: 3 18 15 4 18 35 18 6 8 6 2 4 13 5 4 7 3 3 3 8 6 14 3 5 11 10 5 4 5 9 11 25 24 20 34 12 12 4 4 11 8 5 22 34 17 27 13 19 7 13 18 16 8 3 7 10 9 13 11 7 10 4 4 3 8 4 2 11 13 64 11 7 3 11 13 4 2 2 2 11 18 4 6 5 1 3 3 2 1 4 17 19 28 55 9 5 5 12 21 7 17 67 6 5 4 15 9 10 4 4 4 18 8 13 5 4 0 19 15 4 3 10 9 6 7 5 26 9 10 5 4 3 4 4 5 7 6 4 14 20 10 6 8 10 11 14 19 19 27 5 4 3 2 4 56 9 4 2 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 3 3 4 6 3 4 3 7 5 7 4 4 5 11 8 16 35 40 12 9 100 58 15 7 4 4 2 5 3 2 2 1 3 2 2 3 2 4 3 10 37 7 4 9 5 16 21 28 13 4 3 4 5 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 t 1H J 16 | 75 74 m 2H | 74 74 dd 1H J 17 58 | 41 41 dd 1H J 55 170 | 40 39 dd 1H J 55 172 | 37 36 dt 1H J 55 64 | 32 31 qq 1H J 51 63 | 29 29 dd 1H J 62 165 | 27 26 dd 1H J 62 165 | 12 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccnn1)N1CCC2(CC1)C[C@H](c1cccc(Oc3ccc(Cl)cn3)c1)CO2
ir: 4 2 1 5 7 4 5 5 2 3 2 2 2 2 1 2 2 2 2 2 4 4 4 5 3 11 11 6 4 5 5 15 9 9 9 12 6 11 8 11 59 38 74 32 21 5 5 16 25 5 4 3 10 29 15 8 6 4 8 7 9 29 19 6 4 4 7 8 8 12 6 2 2 2 3 2 1 3 3 3 3 4 6 4 5 2 2 2 1 4 5 3 4 1 3 2 1 3 2 2 2 3 4 3 2 4 2 3 2 1 2 3 4 4 2 2 2 4 10 6 2 1 10 3 3 5 3 2 1 4 6 4 3 3 6 4 23 19 7 5 9 68 6 6 11 4 4 1 15 31 29 20 41 19 7 8 12 34 18 11 4 5 2 3 2 0 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 3 4 2 3 2 2 2 1 18 5 17 100 54 19 5 3 4 3 2 0 1 1 1 0 1 2 1 1 1 3 2 2 4 5 6 14 28 18 11 5 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 89 dd 1H J 21 38 | 88 88 s 1H | 82 82 d 1H J 19 | 78 77 dd 1H J 20 77 | 77 76 dd 1H J 19 85 | 76 75 dd 1H J 38 77 | 72 72 t 1H J 79 | 70 70 dq 1H J 10 79 | 70 69 dt 1H J 12 79 | 69 68 m 2H | 40 39 dd 1H J 38 115 | 38 37 m 3H | 35 34 ddd 2H J 40 68 134 | 32 31 dddd 1H J 39 47 56 64 | 23 22 dd 1H J 47 139 | 22 22 dd 1H J 66 139 | 20 19 ddd 2H J 40 68 134 | 18 17 ddd 2H J 40 68 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cc(C(=O)Cl)ccc1Br
ir: 9 7 3 2 1 1 1 1 1 1 2 1 1 2 2 4 1 1 1 1 1 1 1 1 1 2 3 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 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 3 7 2 2 1 1 2 2 1 1 2 5 9 6 4 8 9 15 15 19 5 4 2 5 3 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 3 2 1 2 2 2 2 3 4 7 12 6 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 6 4 1 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 13 3 3 5 8 100 30 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 17 | 80 80 m 2H | 70 70 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CCCN1C[C@@H]1CCCN1C(=O)c1ccc(OCc2ccsc2)cc1F
ir: 5 3 4 1 2 7 6 8 6 4 12 2 9 7 4 4 4 2 5 1 1 1 1 1 2 2 2 7 27 7 3 1 6 8 2 2 2 3 6 24 32 7 8 58 23 11 4 4 5 3 3 4 7 9 13 22 9 27 26 4 7 5 8 4 3 12 9 17 69 7 4 5 13 4 3 2 3 2 2 2 5 34 15 9 9 7 5 4 14 2 7 8 3 9 23 12 4 2 1 4 5 5 5 12 8 7 5 16 9 23 16 14 3 3 9 6 3 6 4 7 3 6 6 13 24 10 6 21 5 43 21 14 8 17 19 4 3 1 1 2 15 7 1 2 1 1 2 8 6 37 61 15 21 44 20 5 2 1 1 1 2 25 81 2 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 7 4 2 4 5 3 3 5 35 22 10 27 72 100 56 75 16 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 0 1 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1; 1HNMR: 78 77 dd 1H J 51 87 | 73 72 m 2H | 71 70 m 1H | 68 67 m 2H | 52 51 t 2H J 8 | 41 40 ttt 1H J 19 38 57 | 37 36 m 1H | 36 35 dtd 1H J 19 36 119 | 29 29 dd 1H J 54 109 | 29 28 qdd 1H J 29 45 61 | 27 26 m 2H | 26 25 m 1H | 20 19 m 2H | 19 17 m 5H | 16 15 m 1H | 11 11 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCOC(c2ccc(Br)cc2F)C1
ir: 1 2 3 3 11 6 3 5 5 9 12 7 2 2 1 2 7 4 1 0 1 1 1 3 2 1 1 5 1 1 0 0 0 1 1 3 2 1 3 0 1 1 2 0 0 1 2 1 0 1 2 1 2 1 15 13 3 2 1 0 1 2 1 2 1 4 22 8 1 0 0 0 0 0 0 1 1 1 4 9 1 1 2 0 1 1 1 1 2 1 1 1 3 10 4 1 2 1 1 1 1 2 0 1 2 1 0 0 1 1 1 3 3 4 1 1 1 1 5 17 11 11 21 6 2 2 1 4 3 5 5 4 2 1 1 2 9 8 1 1 1 0 1 4 2 0 1 1 2 15 8 100 23 3 1 1 1 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 2 2 1 1 1 2 6 3 17 10 8 14 16 11 5 5 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 20 121 | 74 73 m 2H | 53 52 m 1H | 42 41 dd 1H J 33 121 | 41 40 ddd 1H J 39 60 106 | 40 38 m 2H | 37 36 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(N)CC(Cc1ccc2cccc(OCCOC)c2c1)C(C)C
ir: 8 3 3 3 2 3 4 6 2 4 3 3 4 6 1 2 3 5 9 2 2 3 4 2 2 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 9 7 3 1 2 1 2 1 2 1 2 3 22 13 8 3 3 5 12 56 13 9 15 9 11 18 71 37 4 4 2 10 12 25 15 10 10 8 12 7 14 7 4 3 2 2 2 1 2 3 5 7 3 4 3 1 2 2 6 5 12 17 8 15 10 6 7 3 3 4 4 5 4 2 5 8 4 2 5 3 4 4 8 9 4 3 11 11 7 100 27 15 6 5 4 1 3 3 1 1 2 5 5 11 1 1 1 2 2 1 6 17 5 6 25 1 3 1 0 1 1 1 0 1 2 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 1 1 2 1 1 1 4 3 3 3 3 3 3 6 11 4 17 15 16 26 19 10 5 1 2 2 2 1 1 2 2 3 7 11 18 34 14 3 4 2 7 30 30 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 q 1H J 12 | 77 76 d 1H J 76 | 76 76 d 1H J 84 | 74 73 t 1H J 78 | 71 71 m 1H | 70 69 dt 1H J 7 79 | 50 50 d 2H J 68 | 42 42 t 2H J 49 | 42 40 qd 2H J 38 64 | 38 37 p 1H J 70 | 37 36 t 2H J 49 | 34 34 s 2H | 29 28 ddt 1H J 9 86 130 | 26 25 ddt 1H J 8 86 129 | 20 19 m 1H | 18 16 m 2H | 17 16 m 1H | 13 12 t 3H J 63 | 9 8 dd 3H J 13 63 | 8 8 dd 3H J 13 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(N)c(N)n(-c2ccc(Cl)cc2)c1=O
ir: 2 6 8 2 2 6 6 6 2 2 5 4 7 6 3 12 10 3 5 7 8 5 5 10 13 7 6 5 7 4 4 2 2 5 2 1 1 3 1 1 2 6 5 4 2 3 2 1 1 3 2 2 21 9 28 13 2 0 2 2 2 0 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 4 1 1 2 1 1 2 1 8 10 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 2 6 2 1 1 0 1 0 1 1 2 1 7 6 3 2 1 1 1 0 1 1 2 6 3 1 1 1 2 1 0 1 6 3 1 1 1 4 2 0 1 11 6 5 77 21 29 17 3 1 7 3 2 19 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 1 1 1 1 2 4 5 2 2 1 1 2 2 1 0 0 1 1 0 1 1 1 0 2 9 20 13 1 0 1 1 2 1 1 2 2 100 45 12 2 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 74 73 m 2H | 57 57 s 2H | 41 40 s 2H | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2sc(Cc3cc(Br)ccc3Cl)cc2c1
ir: 1 1 1 1 5 1 1 1 0 1 1 1 2 2 2 2 2 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 3 2 1 1 13 15 11 4 1 1 0 0 0 0 0 1 1 2 14 4 6 1 0 0 0 1 0 0 1 2 3 6 1 4 0 37 32 8 2 1 1 0 2 2 1 1 1 3 8 3 0 0 1 0 0 0 0 0 0 1 1 0 1 1 0 1 0 1 2 0 1 2 1 1 0 0 1 3 1 1 1 0 0 0 0 0 0 0 0 0 1 6 6 3 2 0 0 0 3 8 6 8 2 1 3 3 8 1 0 0 0 0 0 1 12 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 1 2 2 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 3 2 4 7 17 25 11 6 2 2 4 6 100 17 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 78 78 d 1H J 85 | 77 77 s 1H | 74 73 m 2H | 73 73 d 1H J 77 | 72 72 m 2H | 68 68 dd 1H J 22 82 | 41 41 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1C(C)C)CCCC2=O
ir: 2 2 3 3 4 4 4 5 6 6 13 11 4 4 12 21 17 6 14 3 3 4 7 6 3 3 3 2 3 13 9 4 10 27 7 2 4 4 3 6 13 26 9 3 2 2 2 3 5 13 16 23 11 10 4 4 13 3 2 5 2 2 3 2 3 3 13 55 63 71 14 6 3 9 7 6 8 4 4 6 2 2 1 1 2 2 2 8 7 2 2 2 4 5 1 2 5 3 22 24 8 11 10 12 14 17 5 3 3 3 0 5 9 12 5 3 2 7 6 7 14 12 34 29 55 21 8 6 4 5 3 3 22 17 2 6 28 17 6 3 4 2 4 4 7 15 21 8 3 2 2 4 35 11 26 30 11 2 3 4 2 1 1 3 2 1 1 2 1 0 1 2 1 0 2 3 1 1 2 3 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 2 2 4 5 3 2 3 9 7 12 9 4 5 6 8 9 22 100 14 16 92 43 10 3 1 3 4 1 0 2 3 1 0 1 2 1 0 2 2 0 0 2 2 1 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 74 73 s 1H | 72 72 q 1H J 9 | 39 38 s 2H | 33 32 heptd 1H J 9 68 | 29 28 m 2H | 27 26 m 2H | 21 20 m 2H | 12 12 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2ccc(C=O)c(F)c2)n1
ir: 0 1 2 2 1 2 2 1 0 1 2 1 1 1 1 1 2 1 1 0 0 2 3 0 0 1 1 0 1 1 1 1 2 8 4 2 1 1 1 1 3 1 2 1 3 43 30 4 3 9 1 0 2 12 7 1 1 1 2 1 1 2 2 2 4 2 3 4 2 8 2 1 1 1 1 0 1 1 2 2 6 3 2 1 1 1 0 0 1 1 2 2 1 2 2 1 1 7 1 1 1 1 1 1 2 7 1 1 1 1 0 1 1 1 1 1 2 2 5 3 1 1 0 1 2 1 1 2 1 1 1 2 6 1 3 1 1 6 100 5 3 3 3 2 5 7 8 2 2 1 1 4 10 24 9 5 4 13 5 2 1 0 1 1 4 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 0 1 1 1 0 1 1 1 1 1 2 2 3 5 6 17 24 11 7 6 3 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 dd 1H J 38 97 | 79 78 dd 1H J 22 97 | 76 75 m 3H | 71 70 m 1H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nn(C)c(=O)n1-c1ccccc1Oc1ccccc1
ir: 0 0 0 3 6 1 2 2 1 1 1 1 1 0 0 1 2 1 11 3 1 3 1 1 1 1 1 3 2 4 5 1 2 2 5 1 1 3 4 2 9 23 28 7 9 8 4 5 2 1 1 1 4 2 1 1 1 3 3 1 1 0 0 1 1 1 2 3 9 2 6 4 7 5 3 4 5 2 4 4 1 1 1 2 3 2 2 1 0 1 1 1 0 0 1 3 8 1 1 1 1 1 4 1 0 1 1 4 3 1 4 2 1 1 4 5 2 8 4 3 1 1 1 1 1 1 2 3 2 1 1 2 2 1 3 9 3 5 37 4 1 4 24 16 9 14 7 4 2 64 11 9 6 1 2 4 1 0 1 6 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 2 1 0 1 1 1 2 1 2 1 5 10 18 9 100 29 16 11 5 3 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dd 1H J 15 74 | 74 73 m 2H | 72 72 td 1H J 15 79 | 72 71 m 2H | 71 70 m 2H | 69 69 dd 1H J 13 80 | 36 36 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)s1
ir: 5 5 4 5 5 6 5 8 7 5 4 5 5 5 5 5 5 5 8 6 6 9 7 6 6 5 7 7 7 9 12 11 12 6 6 8 9 3 6 16 41 30 30 31 22 13 6 0 16 33 6 10 7 9 5 4 4 6 5 4 8 12 9 7 15 21 39 44 24 24 7 5 7 7 7 8 7 6 5 5 5 6 7 16 20 14 13 15 12 11 5 5 5 5 5 6 5 4 4 4 5 5 5 5 8 13 20 6 5 5 5 5 4 4 6 8 11 6 7 7 6 8 7 5 5 5 4 5 5 5 7 5 12 19 13 16 15 6 6 5 6 17 92 51 16 7 20 19 34 48 39 13 5 5 7 19 21 8 5 5 4 5 15 4 9 5 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 5 5 4 5 5 4 6 7 9 19 16 29 47 100 55 19 19 11 7 6 5 5 5 5 5 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 84 84 m 1H | 82 82 m 1H | 79 78 s 1H | 78 77 m 2H | 75 74 m 4H | 74 74 d 1H J 71 | 74 73 m 1H | 70 70 dt 1H J 8 73 | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1
ir: 0 1 3 2 0 6 2 13 8 14 4 6 2 4 5 16 10 27 15 7 12 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 6 3 9 9 3 2 3 11 12 8 13 16 15 18 6 6 18 25 50 63 22 47 1 8 20 9 10 5 10 5 5 10 5 4 8 4 2 2 5 6 1 0 1 1 2 4 2 1 2 3 11 7 3 2 1 2 7 4 3 25 12 3 10 14 3 2 2 1 1 2 1 1 1 0 1 1 12 2 1 2 3 4 8 6 5 4 8 5 9 9 16 12 3 8 2 3 21 41 7 8 4 10 12 4 0 1 1 3 3 11 6 34 12 13 14 22 13 11 3 4 12 3 40 48 4 3 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 3 1 2 2 1 2 2 4 1 7 6 18 89 19 15 60 8 13 5 2 2 2 2 1 1 1 2 1 2 1 1 2 2 2 4 25 100 47 4 2 3 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 83 83 s 1H | 76 76 d 1H J 9 | 75 74 t 1H J 8 | 74 74 d 1H J 42 | 74 73 dt 2H J 9 83 | 72 72 d 1H J 40 | 69 69 m 2H | 38 38 s 3H | 37 37 t 2H J 9 | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(O)ccc2c(-c2ccc(Cl)cc2)c1Br
ir: 1 2 1 1 2 1 2 2 4 4 4 3 1 2 2 1 2 2 2 1 1 2 3 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 4 28 16 3 1 1 3 1 0 2 2 1 0 7 3 3 3 4 6 1 1 2 3 1 1 100 14 11 6 3 12 3 2 1 1 2 1 10 2 1 1 1 2 1 3 1 1 2 7 2 1 1 1 1 1 2 6 2 1 1 2 2 2 1 2 3 4 7 2 1 3 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 2 2 3 3 2 4 7 1 4 12 1 3 1 1 1 2 1 1 1 1 1 1 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 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 2 1 2 3 2 1 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 3 3 7 8 21 11 7 5 2 3 4 9 31 73 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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; 1HNMR: 79 79 d 1H J 89 | 76 76 s 1H | 75 75 m 2H | 75 75 m 1H | 74 74 m 2H | 72 71 t 1H J 22 | 69 69 dd 1H J 20 88 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(=O)NN=C1c1ccc2[nH]c(CCN)nc2c1
ir: 1 2 2 7 6 5 5 9 9 12 6 14 8 6 2 5 3 4 4 10 8 25 34 23 12 23 17 16 74 53 56 19 2 7 5 2 3 4 3 4 5 3 4 4 9 8 10 5 12 10 20 21 51 17 43 28 14 30 5 8 8 12 5 2 6 3 6 6 10 5 20 14 44 100 33 8 9 9 6 11 12 14 10 5 3 4 4 2 2 3 11 13 5 5 7 15 6 14 7 3 5 2 6 5 4 21 18 32 10 3 1 3 4 2 5 2 7 7 7 14 8 13 5 7 11 16 15 10 11 11 40 24 14 31 36 19 3 14 20 4 6 5 8 7 6 47 16 6 4 1 1 1 2 4 14 28 6 23 29 16 2 1 2 3 5 2 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 3 3 4 4 6 4 3 3 6 2 10 11 6 15 19 11 14 3 1 2 2 2 2 2 2 2 6 6 28 44 20 17 4 10 13 12 36 28 14 59 28 37 12 4 3 2 3 2 2 2 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 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 s 1H | 79 79 d 1H J 21 | 77 76 d 1H J 74 | 76 75 dd 1H J 21 74 | 36 35 t 2H J 70 | 34 33 h 1H J 65 | 33 32 tt 2H J 39 69 | 27 27 t 2H J 39 | 27 26 dd 1H J 67 151 | 23 22 dd 1H J 67 151 | 11 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(C2CCC(C)(C)CC2)cc1N(C(=O)[C@@H]1CC[C@@H](C)CC1)C1COCOC1
ir: 2 3 2 1 2 2 2 6 2 3 8 12 5 5 8 4 3 21 3 2 1 4 3 2 1 2 3 6 1 2 2 2 2 4 7 12 4 25 11 3 2 3 3 1 3 2 2 8 7 9 4 1 2 6 4 2 7 3 2 2 2 9 5 1 5 4 4 5 4 2 5 4 5 17 17 18 7 9 6 2 6 2 1 0 2 2 1 1 2 3 2 3 3 4 3 6 4 3 1 1 2 3 1 2 3 7 7 19 9 12 4 9 12 5 24 4 6 17 5 9 10 10 3 4 4 7 4 4 4 4 3 3 9 3 3 4 3 16 6 2 8 2 3 1 3 4 100 7 3 1 1 3 26 10 1 2 2 22 7 22 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 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 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 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 2 2 3 5 17 4 4 4 2 5 7 5 4 30 19 8 5 11 9 6 2 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 69 68 d 1H J 7 | 48 48 s 2H | 45 44 p 1H J 54 | 41 41 dd 2H J 54 106 | 40 39 s 2H | 39 38 dd 2H J 54 107 | 27 26 pd 1H J 7 52 | 25 24 tt 1H J 48 73 | 20 19 dddd 2H J 53 64 84 134 | 19 18 m 4H | 17 16 dddd 2H J 51 60 86 130 | 16 14 m 10H | 10 9 d 3H J 68 | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Br)C#N)cn1
ir: 4 9 12 16 14 4 4 4 6 10 8 4 1 1 1 2 4 6 2 1 2 1 1 1 1 3 3 8 18 20 23 10 36 35 30 23 12 13 8 4 16 23 23 4 4 4 4 3 6 3 6 8 6 26 48 31 5 3 2 2 3 1 5 3 10 5 3 8 7 30 42 15 10 4 3 6 9 18 10 5 4 3 2 1 2 1 3 13 15 4 2 1 6 4 1 2 2 3 8 3 3 6 6 3 5 7 3 3 8 12 2 9 4 4 6 4 11 14 9 8 11 8 6 19 22 12 2 6 5 5 1 5 10 6 14 84 48 71 32 4 1 4 27 44 11 12 4 5 21 28 13 4 9 7 1 4 1 1 2 5 25 1 1 2 2 0 1 2 1 0 1 2 1 0 2 2 1 0 1 5 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 1 2 1 2 5 4 4 2 3 2 13 7 17 19 45 11 41 90 100 22 7 5 9 11 4 2 6 3 1 0 1 2 1 0 1 2 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 dt 1H J 9 20 | 80 79 m 2H | 75 74 m 4H | 67 66 d 1H J 89 | 52 51 t 1H J 76 | 45 45 t 2H J 64 | 35 34 ddt 1H J 8 75 154 | 32 31 ddt 1H J 9 76 154 | 30 29 t 2H J 65 | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cn(Cc2ccc(-c3cnn(C)c3)cc2F)c2cccnc12
ir: 6 4 5 2 6 4 5 6 5 12 5 7 21 7 2 4 3 2 1 3 7 10 1 7 3 1 3 2 3 2 2 4 5 3 6 17 37 5 4 6 8 2 2 5 2 2 2 3 3 0 2 7 3 2 4 8 7 4 3 7 2 9 18 14 24 13 8 24 8 7 2 2 2 1 10 4 3 1 2 2 1 1 3 2 2 3 5 5 5 19 17 3 2 5 16 14 5 5 7 6 1 3 6 9 11 2 3 2 1 1 5 3 0 3 6 5 22 12 9 6 1 3 8 5 3 3 3 3 4 2 4 7 20 6 3 1 0 2 3 6 18 10 6 14 47 4 4 2 4 13 11 3 2 7 13 10 4 5 7 100 4 3 1 0 11 3 2 0 1 3 1 1 2 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 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 0 2 3 2 2 2 3 3 1 2 4 10 5 6 51 30 10 30 43 15 5 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 88 87 dd 1H J 22 37 | 82 81 t 1H J 9 | 79 79 s 1H | 78 77 m 2H | 74 74 dd 1H J 22 83 | 73 73 m 2H | 72 72 dd 1H J 22 121 | 54 54 dt 2H J 9 31 | 39 39 s 3H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CN(C)C)C(=O)c1cc2cc(F)c(F)cc2nc1Cl
ir: 14 25 19 5 8 8 7 6 6 9 9 8 16 12 10 6 6 5 5 3 3 5 6 18 5 5 16 6 25 4 5 4 9 30 8 3 4 6 6 2 4 5 6 4 4 33 45 13 32 20 4 4 4 6 4 3 4 8 4 2 4 6 6 4 19 12 18 48 100 27 9 33 25 7 8 10 6 7 11 7 6 5 3 4 5 8 6 5 5 5 20 42 7 5 3 4 5 7 7 4 6 6 8 5 17 16 14 15 8 5 5 6 11 11 12 9 17 13 25 65 14 7 3 6 7 6 4 5 44 30 4 7 6 4 4 4 4 4 6 6 54 45 8 5 7 21 76 40 6 7 9 12 34 46 2 33 9 0 4 8 5 3 5 23 12 9 4 42 4 1 4 7 4 1 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 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 6 6 3 4 5 4 3 4 5 5 3 4 6 7 7 18 13 40 22 100 17 7 2 4 6 4 3 4 6 3 2 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 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 5 4 3 3 5 4 2 3 5 4 2 4 5; 1HNMR: 90 90 d 1H J 21 | 86 85 hept 1H J 10 | 80 79 m 2H | 43 43 q 2H J 71 | 27 27 d 6H J 10 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2cc(N3CCn4cc(NC(=O)C(F)(F)F)nc4C3)ncc2Cl)c(C)c1
ir: 6 9 6 6 6 8 19 12 7 3 4 8 7 5 4 11 1 3 6 35 5 8 5 11 27 24 27 4 4 4 4 3 7 13 7 13 39 42 53 12 23 8 5 9 21 15 100 33 23 10 4 4 5 4 4 4 4 3 4 24 12 4 13 31 47 43 55 39 28 7 6 10 26 7 4 2 6 14 4 12 6 5 3 5 31 24 19 26 14 17 8 5 3 7 7 12 5 5 17 13 13 5 6 21 7 8 11 32 11 15 6 7 26 6 2 11 5 4 6 14 8 4 8 8 10 6 4 17 19 18 18 18 16 43 40 5 7 14 30 9 5 5 6 8 14 20 16 32 16 9 4 5 10 13 11 5 6 14 80 21 10 24 23 0 3 3 2 0 1 2 2 1 2 3 2 1 2 2 2 1 2 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 2 2 3 3 4 4 5 4 4 3 3 1 4 11 11 10 11 8 35 10 27 16 4 3 4 4 2 4 3 3 2 2 2 3 3 3 2 4 5 74 21 77 20 9 7 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 84 83 m 1H | 83 82 s 1H | 74 74 dd 1H J 8 16 | 71 71 s 1H | 70 70 t 1H J 8 | 47 46 s 2H | 43 42 m 2H | 40 39 m 2H | 24 24 d 3H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC2C(C)CC(C)(C)NC2C1
ir: 2 3 2 2 2 4 7 1 0 1 2 1 1 14 3 2 1 1 0 1 1 1 1 2 3 2 1 4 7 20 18 8 24 23 16 11 4 7 10 18 11 5 8 2 4 3 3 5 3 1 4 2 1 3 3 7 10 5 2 1 1 3 4 4 3 2 2 2 1 2 3 1 1 1 4 8 5 5 3 4 2 1 1 1 1 1 1 2 6 8 2 2 2 1 0 2 1 2 1 2 16 33 15 8 29 8 9 11 7 3 8 12 12 7 6 2 1 6 30 31 15 18 14 7 26 23 8 11 15 8 6 11 7 9 4 14 3 15 4 6 0 1 2 2 2 1 1 1 1 1 0 0 0 0 1 1 0 1 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 7 4 1 2 2 6 4 3 2 4 3 6 6 8 26 11 5 2 1 1 2 1 1 1 1 1 1 1 2 1 2 0 7 9 5 16 94 100 19 7 1 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 33 32 tt 1H J 41 55 | 24 24 d 1H J 57 | 17 15 m 8H | 15 13 m 3H | 13 12 m 1H | 13 13 s 3H | 12 11 s 2H | 9 9 d 3H J 59 | 9 8 dd 3H J 15 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1ncc2cc(C#N)sc21
ir: 6 8 9 6 4 7 9 7 5 7 12 7 5 18 29 33 17 11 11 7 6 11 39 22 6 16 22 15 8 9 9 6 6 11 17 11 15 8 9 9 9 10 7 4 6 9 7 4 6 10 7 4 6 10 7 9 10 10 7 4 7 9 7 4 7 10 8 8 12 17 57 0 10 12 7 6 12 12 8 5 9 10 5 5 8 8 5 5 12 9 5 6 25 26 6 5 29 28 5 8 11 9 4 8 11 8 4 9 15 44 42 9 10 8 5 8 9 12 28 33 48 15 4 10 12 6 0 96 100 9 6 10 29 32 12 7 7 7 7 7 7 7 7 7 7 8 13 57 67 2 4 17 7 12 7 7 7 6 7 8 7 5 6 8 7 5 6 8 7 5 7 9 7 4 7 9 6 5 7 8 6 4 8 8 6 5 7 8 6 5 7 8 6 5 7 8 5 5 7 8 5 5 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 4 6 9 6 4 7 9 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 5 5 8 8 5 6 8 7 5 6 8 7 6 7 9 9 5 7 9 7 5 6 8 7 6 13 11 8 16 17 24 9 8 11 32 25 7 8 8 8 5 7 8 7 5 7 8 6 5 7 8 6 6 7 8 6 5 7 7 6 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 6 5 6 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 7 6 6 7 7 6 6 7 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8; 1HNMR: 86 85 d 1H J 16 | 78 78 d 1H J 16 | 29 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(-c2c(C(C)C)cccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1
ir: 4 5 4 3 4 4 3 5 5 4 4 7 4 4 3 3 4 5 3 3 3 6 4 3 5 5 4 4 5 3 3 6 3 3 3 5 3 3 4 8 6 12 8 4 4 3 5 30 100 12 5 2 4 4 4 6 14 21 4 10 5 8 8 3 4 4 6 10 14 8 5 4 6 8 4 4 4 6 4 5 5 6 4 4 4 3 3 4 5 5 7 5 5 4 4 4 6 7 15 23 9 5 7 6 3 11 18 5 7 8 5 4 5 4 4 5 8 7 9 10 13 11 10 11 10 5 6 6 10 11 23 27 17 8 18 8 8 4 7 16 31 6 5 4 5 4 4 4 7 8 4 4 4 5 6 6 40 6 5 4 3 3 8 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 3 3 6 8 7 8 5 5 3 5 5 7 6 8 13 15 29 26 0 24 77 52 7 22 12 6 6 5 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 73 m 3H | 72 72 m 3H | 37 36 m 2H | 29 28 tt 1H J 9 66 | 14 13 dd 13H J 7 66 | 13 12 d 7H J 66 | 11 11 s 15H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN1Cc2ccccc2C[C@H](NC(=O)OCc2ccccc2)C1=O
ir: 4 16 9 8 3 4 5 6 3 4 6 5 2 3 2 1 2 1 2 5 1 10 6 4 2 4 10 9 11 15 16 23 30 10 2 8 14 4 15 45 36 27 15 14 6 3 3 7 2 2 2 2 2 1 1 3 2 1 1 2 1 1 2 5 3 5 2 3 4 4 2 2 1 4 5 2 1 1 2 2 2 1 3 1 1 7 15 5 5 11 20 2 2 2 1 2 4 4 5 3 4 7 4 3 2 3 3 2 6 2 3 3 2 4 3 3 0 6 3 8 23 14 21 16 9 10 3 10 11 6 5 6 7 13 12 15 5 6 3 1 2 6 26 28 67 95 40 36 9 48 1 4 2 1 2 1 1 1 1 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 2 1 1 1 2 2 3 2 3 3 4 3 4 11 18 13 31 100 25 22 2 2 2 2 1 1 2 1 1 0 1 1 1 1 1 1 1 1 2 4 10 21 33 16 7 4 1 1 2 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 72 71 m 3H | 71 70 ddt 1H J 9 16 72 | 59 59 d 1H J 101 | 51 51 s 2H | 47 46 m 1H | 46 45 m 2H | 42 41 m 4H | 31 31 ddd 1H J 7 73 154 | 29 28 ddd 1H J 9 79 154 | 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)C=C(C#N)C(=O)Nc1cc(F)ccc1F
ir: 4 5 1 9 4 6 2 6 5 6 3 5 3 2 2 4 5 28 9 5 4 2 2 2 3 5 6 4 4 3 4 6 14 3 2 4 7 2 3 4 4 1 3 6 9 14 8 55 26 4 27 8 19 100 18 17 2 4 2 4 2 1 3 9 4 5 16 71 61 9 7 5 3 4 4 7 3 3 2 4 3 2 4 3 1 3 15 6 6 5 14 12 6 9 6 3 3 2 4 12 5 5 3 4 15 8 22 14 10 6 6 3 5 3 5 3 3 6 4 12 3 4 4 4 24 6 12 3 4 3 3 2 2 3 2 3 9 86 24 2 0 3 4 2 2 6 38 18 15 12 4 1 29 24 63 59 17 9 3 4 4 17 56 8 3 1 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 5 39 4 4 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 1 1 2 2 1 2 2 3 2 2 2 2 1 2 2 2 1 3 4 2 1 2 5 6 11 31 45 62 20 3 2 3 5 2 3 2 2 2 3 3 3 3 4 3 3 4 11 9 66 30 37 43 17 6 6 2 2 4 3 2 1 2 3 1 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 79 p 1H J 10 | 76 75 ddd 1H J 22 33 122 | 73 72 ddd 1H J 46 88 101 | 70 69 dddd 1H J 22 36 88 101 | 28 28 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc(-c3ccnc(NC(C)(C)C)c3)c(-c3cccc(N)c3)n2)cc1
ir: 6 5 5 5 5 3 2 4 2 3 6 6 8 5 4 5 10 5 6 10 6 4 2 2 2 1 2 3 3 1 4 6 3 1 2 2 2 4 5 4 6 2 3 7 3 7 40 100 17 13 25 41 7 1 4 11 24 7 6 15 10 13 24 24 5 6 9 12 17 21 23 25 3 3 3 3 1 2 2 2 2 1 9 8 6 5 11 15 11 8 5 2 7 4 6 9 10 17 10 11 6 6 8 4 8 5 36 36 9 8 3 5 3 4 3 4 5 8 13 18 12 12 4 3 8 6 23 14 13 19 34 12 8 4 4 5 3 2 3 10 4 25 8 3 6 3 4 11 15 4 7 15 25 8 7 3 4 5 10 3 3 6 11 41 4 2 2 1 1 4 4 1 1 2 1 1 22 21 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 2 1 2 2 4 3 3 6 7 4 4 2 3 2 3 3 8 9 12 11 34 62 1 47 57 75 28 40 11 8 5 3 2 1 3 2 1 2 2 1 2 4 19 24 2 3 5 8 12 12 14 4 2 3 80 86 3 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 83 82 d 1H J 47 | 75 75 d 1H J 9 | 74 73 dd 1H J 77 88 | 73 72 m 4H | 72 71 dd 1H J 22 48 | 71 71 d 1H J 22 | 69 69 m 3H | 68 67 ddd 1H J 13 22 77 | 59 59 s 1H | 54 54 q 2H J 8 | 42 42 s 2H | 38 38 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
ir: 0 3 6 2 3 4 3 3 3 4 4 3 1 3 7 7 1 2 3 2 1 4 3 1 1 4 13 10 4 5 3 2 4 4 3 1 3 4 4 3 3 4 3 1 4 6 7 2 4 3 3 2 3 6 8 12 7 6 3 0 4 7 15 12 6 7 4 4 9 7 3 3 5 4 3 1 2 3 3 5 6 3 1 1 3 6 8 4 3 3 1 1 3 4 3 6 8 4 3 5 4 6 5 19 7 4 2 2 3 2 2 4 4 3 2 3 4 3 2 4 5 4 5 7 6 5 5 4 5 4 4 3 4 6 5 12 15 7 1 3 2 2 2 6 6 7 6 8 6 24 22 21 5 3 2 3 3 1 1 3 2 2 2 2 2 2 2 18 13 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 3 2 1 2 3 2 3 2 4 3 2 3 6 13 23 19 100 7 6 4 5 3 3 3 3 4 5 5 5 5 5 7 8 5 3 4 30 34 17 14 10 3 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 86 86 s 1H | 77 76 m 3H | 74 74 m 2H | 51 51 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cncc(CO)c4)nc(N4CCOCC4)c3s2)CC1
ir: 6 3 3 4 3 3 2 5 3 2 1 1 1 1 3 2 1 2 2 0 1 1 1 0 1 1 1 1 3 8 5 6 14 7 9 2 1 6 4 38 14 2 5 3 1 1 4 4 9 11 3 2 2 2 6 4 10 6 4 3 3 4 2 1 3 4 2 12 26 7 1 3 3 5 2 5 10 72 7 1 8 20 13 9 5 12 29 24 44 13 3 13 6 3 7 5 3 4 13 16 16 8 3 5 15 5 3 1 1 1 1 3 6 4 9 3 2 3 1 2 3 5 16 11 2 2 4 4 1 1 2 1 1 0 0 0 0 0 0 1 0 1 4 6 3 50 1 3 1 1 24 7 40 3 2 18 3 9 6 1 1 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 2 2 2 1 1 2 2 1 1 2 2 4 4 4 4 10 7 6 8 4 5 3 2 3 4 5 100 20 6 3 1 1 1 1 0 1 1 1 0 2 1 2 2 2 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 t 1H J 17 | 85 84 tt 1H J 9 18 | 82 82 tt 1H J 9 17 | 72 71 t 1H J 9 | 48 47 dt 2H J 9 60 | 42 42 m 1H | 39 38 m 6H | 37 36 m 4H | 31 30 m 4H | 29 29 s 2H | 26 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOCCc1ccc(N2CCCCC2)c2c1SN=Cc1ccccc1-2
ir: 8 5 9 5 9 4 6 6 8 3 5 7 8 2 1 4 4 2 1 3 3 2 0 3 4 2 3 5 7 5 3 11 4 1 2 3 6 2 1 6 17 16 12 11 7 4 3 8 4 3 5 12 8 5 8 6 6 6 5 7 2 1 7 7 3 1 3 6 3 13 6 7 6 5 4 4 2 1 3 4 4 2 6 7 5 15 23 29 14 6 4 5 4 5 12 9 5 9 11 16 9 4 3 2 1 2 5 11 5 7 8 4 2 3 4 2 2 2 3 2 1 2 3 2 2 3 4 2 1 3 3 4 5 4 5 11 4 4 4 1 1 2 3 3 7 4 5 3 4 4 5 30 1 5 3 1 1 5 2 0 4 3 2 0 2 8 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 1 3 4 4 2 3 4 3 1 3 10 8 3 8 18 13 9 7 4 5 8 8 100 23 3 6 4 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0; 1HNMR: 86 86 s 1H | 78 78 dd 1H J 15 70 | 77 77 dd 1H J 14 77 | 76 75 m 2H | 71 70 dd 1H J 10 82 | 67 67 d 1H J 82 | 38 37 m 7H | 35 34 t 4H J 47 | 31 31 m 1H | 30 29 td 2H J 9 59 | 18 17 m 4H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N)c(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
ir: 4 5 2 4 5 6 4 4 3 3 10 8 8 5 8 12 10 8 16 12 13 19 15 25 15 10 9 9 5 8 8 8 10 4 3 4 2 3 2 3 3 4 12 16 13 18 13 9 6 4 5 3 15 32 31 18 9 8 7 4 3 2 3 5 6 9 9 11 6 9 3 5 4 4 3 5 3 7 2 3 4 24 10 4 1 3 5 4 6 4 22 8 2 2 2 2 1 2 9 7 4 6 2 3 3 3 6 6 5 4 4 6 2 3 4 4 3 4 5 4 2 7 3 3 2 5 3 4 3 3 3 1 1 1 4 2 1 9 3 2 4 8 5 3 23 39 16 5 67 17 8 17 11 8 13 6 37 60 15 6 10 4 2 3 8 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 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 3 4 2 4 4 2 2 4 4 5 9 8 25 26 17 12 9 6 2 2 1 1 1 1 1 1 2 2 1 1 6 57 83 6 6 8 4 21 24 19 4 5 10 35 100 24 12 4 3 2 0 1 2 1 0 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 t 1H J 46 | 74 73 d 1H J 85 | 72 72 dd 1H J 7 20 | 71 70 d 1H J 21 | 69 69 m 2H | 69 68 s 2H | 68 67 dd 1H J 22 86 | 44 44 p 1H J 46 | 38 38 s 2H | 35 35 td 2H J 46 53 | 29 29 ddd 2H J 57 84 121 | 28 27 m 4H | 21 20 dddd 2H J 45 56 84 129 | 19 18 dddd 2H J 44 57 84 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(C)(C)C(=O)C(c2cc(-c3ccc(Cl)cc3F)ccc2C2CC2)C1=O
ir: 4 7 11 8 6 8 16 7 6 10 14 13 15 10 16 10 13 8 6 13 7 15 10 10 9 11 31 12 11 8 6 5 5 6 8 6 6 27 7 7 9 31 9 7 13 37 13 7 6 4 6 6 23 6 58 0 29 15 9 10 9 9 7 5 19 10 12 6 12 26 19 6 6 7 5 6 6 12 39 13 7 7 13 8 8 11 7 10 24 7 7 7 8 10 9 9 17 22 14 7 9 9 15 24 30 8 5 5 8 6 8 6 6 5 5 16 22 22 20 33 24 9 6 10 12 6 7 6 13 59 20 10 8 6 5 7 7 5 10 9 18 12 66 92 72 14 19 71 13 9 14 10 33 15 16 7 8 6 5 15 8 13 6 6 10 4 4 5 5 4 4 5 5 3 5 6 5 4 5 5 4 4 5 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 4 3 4 5 4 3 4 5 4 3 4 5 4 3 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 5 5 4 5 6 9 8 7 6 5 6 7 6 9 8 10 27 21 16 56 16 49 100 44 27 16 11 11 9 6 4 6 6 5 5 5 6 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 4 4 5 4 3 4 5 4 3 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 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; 1HNMR: 77 76 m 1H | 76 75 dt 1H J 10 21 | 75 74 m 2H | 73 73 m 2H | 46 46 d 1H J 8 | 30 30 m 1H | 15 14 s 5H | 14 13 m 8H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@H](C)NCC[C@H](N)C(F)(F)F)cc1
ir: 2 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 2 2 1 2 3 19 1 2 3 1 2 1 0 1 1 1 1 4 3 10 2 3 1 2 4 1 3 5 1 10 10 28 4 2 0 4 2 2 5 6 3 2 3 1 1 4 10 2 1 0 0 1 5 1 0 1 1 0 0 1 4 4 9 2 2 2 1 1 2 2 3 6 1 1 1 1 1 2 3 2 2 4 3 3 3 4 1 1 2 1 1 2 4 4 3 2 7 52 4 4 3 3 1 0 1 1 1 0 0 1 1 2 3 1 0 2 1 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 0 1 2 2 4 3 19 4 1 1 0 0 1 1 1 1 0 1 2 2 2 6 8 1 1 4 13 4 100 18 4 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H | 68 68 m 2H | 43 42 m 1H | 39 38 dq 2H J 36 83 | 38 38 s 2H | 36 34 dp 1H J 80 162 | 32 31 dt 1H J 43 75 | 30 29 dq 1H J 40 137 | 28 27 m 1H | 19 17 ddtd 1H J 23 40 81 142 | 16 15 ddtd 1H J 20 39 81 142 | 15 14 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cccc3nc(CN4CCC[C@H]5CCCc6cccnc6[C@H]54)cn23)CC1
ir: 6 30 12 9 5 4 2 3 3 4 4 4 4 4 3 3 3 6 2 5 9 12 3 3 10 5 5 3 7 3 6 16 9 4 4 4 4 12 6 28 15 6 11 8 4 3 3 5 17 8 6 23 100 23 9 4 4 18 5 8 20 52 13 25 46 11 11 6 3 4 12 4 3 3 5 5 6 38 43 32 7 6 7 12 15 18 23 9 6 10 18 7 4 6 7 7 10 17 33 45 14 4 7 9 11 4 6 3 3 4 3 5 12 7 4 18 51 9 9 6 10 6 15 30 12 7 6 12 6 4 6 24 6 4 7 7 8 10 11 7 9 11 12 24 2 11 6 3 3 3 3 2 3 8 68 10 5 3 3 14 37 0 2 4 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 6 6 8 5 3 6 4 5 3 6 12 31 9 18 14 39 59 29 20 10 8 4 2 3 3 2 2 3 4 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 84 84 dd 1H J 20 48 | 78 78 t 1H J 9 | 75 75 m 2H | 74 74 dd 1H J 13 80 | 72 72 dd 1H J 46 81 | 69 69 dd 1H J 14 61 | 41 40 m 2H | 39 39 dd 1H J 8 126 | 35 34 m 4H | 29 29 m 1H | 29 29 s 3H | 29 27 m 3H | 27 26 m 4H | 21 20 m 1H | 19 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1c2nncn2-c2cnc(-c3cn[nH]c3-c3ccccc3)nc2N1C1CCCC1
ir: 5 4 3 4 5 9 6 8 7 15 3 26 14 13 13 6 6 6 4 4 5 4 3 4 5 4 3 3 4 4 7 13 26 8 5 5 9 11 8 19 72 32 80 8 6 4 7 8 91 14 4 6 4 2 4 11 5 3 5 6 5 4 7 6 5 4 4 6 9 4 4 6 4 3 3 6 4 4 7 12 4 3 3 4 3 19 32 13 5 13 7 5 4 9 6 5 3 3 4 4 3 4 6 4 2 4 7 8 7 4 7 5 6 29 8 36 12 17 14 7 5 5 5 4 6 6 6 4 2 18 11 7 5 8 17 35 8 5 9 4 3 29 18 0 100 5 13 15 10 34 9 8 7 12 35 32 12 5 3 1 3 62 25 8 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 2 3 3 3 3 3 3 3 3 3 4 3 2 4 5 6 4 4 6 5 5 4 19 11 8 7 63 22 3 6 6 4 2 3 4 3 2 3 3 3 2 3 4 3 3 3 4 4 5 5 7 6 13 18 27 10 5 3 4 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 94 94 s 1H | 89 89 s 1H | 88 88 s 1H | 76 76 m 2H | 76 75 m 2H | 74 74 ddt 1H J 15 69 88 | 49 49 tq 1H J 15 73 | 44 43 p 1H J 53 | 23 22 m 3H | 21 19 m 3H | 18 17 m 2H | 17 16 m 2H | 11 10 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)CCCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)cc1C
ir: 2 1 2 1 4 6 4 1 2 2 2 2 2 5 5 5 2 3 2 3 1 2 2 0 3 5 5 4 3 3 6 8 4 3 6 5 9 24 43 16 2 3 5 5 5 18 23 4 7 8 2 7 2 3 5 1 3 2 2 1 3 3 4 0 3 5 6 6 19 13 4 5 3 3 4 4 3 3 3 3 24 15 5 0 3 2 7 10 7 12 8 6 3 5 2 3 9 6 5 2 7 3 1 8 9 10 4 7 8 5 3 4 7 6 6 4 6 5 6 5 10 5 1 5 6 10 9 9 2 5 5 3 7 5 4 9 6 7 3 5 5 3 10 50 15 30 13 36 12 2 6 3 2 8 2 3 9 4 3 2 1 3 8 4 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 3 1 3 4 2 4 5 2 2 4 4 11 9 14 13 27 100 24 9 8 2 3 4 1 2 2 1 1 0 1 2 1 0 2 2 1 1 3 10 8 54 13 4 5 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 92 92 s 1H | 76 75 m 2H | 75 75 ddd 1H J 12 21 79 | 74 74 td 1H J 6 22 | 72 72 m 2H | 70 69 ddt 1H J 9 20 77 | 30 29 m 4H | 27 26 dt 3H J 65 95 | 25 25 m 1H | 25 24 ddd 2H J 55 82 115 | 23 23 m 6H | 20 19 ddt 2H J 54 82 129 | 19 18 tt 2H J 63 88 | 17 16 ddt 2H J 54 82 128 | 12 11 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cnc(O)n1
ir: 9 6 0 5 8 4 1 5 9 7 17 10 12 7 2 5 7 4 2 6 7 4 3 6 6 3 3 6 6 3 3 6 8 4 11 100 16 36 3 11 7 2 5 11 6 2 17 11 6 5 4 8 5 1 4 9 5 1 5 8 5 1 6 10 15 12 21 9 5 1 14 16 12 4 8 9 4 2 7 7 3 3 7 8 3 18 11 9 14 6 8 7 3 4 7 12 4 6 11 16 5 4 9 6 3 9 8 6 1 5 8 5 1 6 12 8 8 13 12 14 27 37 23 12 2 6 9 5 3 7 8 4 2 6 7 5 3 7 7 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 1 4 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 5 8 7 3 5 10 8 5 7 12 14 10 18 14 24 21 18 16 26 10 8 13 5 45 10 6 22 35 6 8 4 2 5 7 3 3 5 6 3 3 6 6 3 3 6 6 3 4 6 6 3 3 6 5 3 4 6 5 3 4 6 5 2 4 7 5 2 4 7 5 2 4 7 4 2 5 7 4 2 5 7 4 2 5 6 4 3 5 6 4 3 5 6 4 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 7 4 2; 1HNMR: 86 85 s 1H | 79 79 d 1H J 9 | 41 40 qd 2H J 9 55 | 16 16 t 3H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2sncc2c1Nc1ccc(I)cc1F
ir: 10 53 4 7 3 5 8 6 9 15 11 6 7 7 9 3 6 12 15 4 9 37 46 18 15 18 14 11 23 31 4 19 28 26 9 4 11 14 28 26 8 2 7 74 18 10 6 2 9 7 4 1 6 11 39 37 28 4 7 13 3 4 3 2 4 6 8 15 10 4 3 2 3 4 3 3 5 65 100 11 8 20 8 7 4 4 4 4 3 4 3 3 3 3 3 3 10 6 7 21 19 4 2 6 19 24 4 3 4 3 3 3 3 2 3 11 8 18 20 5 3 3 10 3 2 4 4 14 3 3 4 14 39 3 3 3 3 3 6 5 3 3 3 3 3 3 5 13 10 11 7 29 7 6 8 5 4 32 32 2 7 36 16 9 3 2 2 3 2 2 2 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 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 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 3 2 2 2 3 2 2 2 2 3 3 3 3 4 4 23 30 34 10 4 5 4 2 4 6 1 31 41 0 4 5 2 2 3 4 4 5 7 14 13 13 59 91 25 5 3 4 5 3 3 3 4 3 3 3 3 3 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 93 92 d 1H J 38 | 86 85 d 1H J 88 | 84 84 s 1H | 80 80 d 1H J 86 | 75 74 m 2H | 71 70 dd 1H J 46 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccnc(CBr)c1
ir: 4 10 8 8 16 6 5 5 4 4 5 4 4 4 5 7 6 7 8 5 5 5 5 5 7 7 26 14 14 54 10 10 17 22 10 11 10 9 5 5 8 6 6 7 5 7 6 6 7 4 4 5 5 5 6 16 10 11 6 6 4 3 7 19 14 30 63 58 76 39 6 0 7 14 6 6 6 7 4 4 22 11 6 6 7 6 6 7 17 6 4 4 6 5 4 4 6 5 9 8 11 13 5 7 8 7 5 5 8 8 6 6 6 5 4 5 6 5 4 7 11 8 13 18 22 15 6 7 8 4 3 5 5 4 4 15 14 11 10 6 5 4 5 6 7 8 22 18 31 4 5 10 9 8 5 12 42 74 100 23 7 8 5 4 5 6 5 4 4 5 4 4 5 5 5 4 5 4 5 5 5 9 6 8 4 5 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 5 5 5 5 5 6 8 11 8 7 6 6 5 6 16 13 11 14 15 91 32 19 10 5 6 6 5 4 5 5 4 4 5 5 4 4 5 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 4 5 4 4 4 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; 1HNMR: 86 86 d 1H J 46 | 77 76 dt 1H J 10 21 | 74 74 dd 1H J 22 46 | 46 46 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)c1ccc(OCc2ccccc2)c(CCOCc2ccccc2)c1
ir: 1 2 3 2 2 1 2 1 4 5 2 11 2 2 2 1 3 3 7 2 3 1 5 2 8 3 1 2 1 5 13 3 4 6 3 3 1 6 10 57 31 17 7 2 3 6 15 5 2 1 1 2 1 0 2 4 2 6 2 1 1 1 1 2 1 1 5 4 8 6 3 1 2 3 2 6 10 3 7 1 1 1 0 1 1 2 1 6 4 3 2 0 5 2 2 2 2 6 2 1 1 2 18 7 2 1 1 1 1 1 0 1 3 3 8 2 5 2 3 2 10 5 3 3 6 2 20 8 3 3 5 2 4 4 3 11 9 2 1 5 8 17 30 24 10 6 7 1 1 1 2 4 10 9 2 5 1 0 1 1 1 0 0 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 3 2 2 1 1 2 1 5 4 13 7 18 100 49 17 5 4 2 2 1 0 1 2 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 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: 79 78 dd 1H J 20 88 | 77 77 dt 1H J 9 20 | 74 74 m 2H | 74 73 m 9H | 69 69 d 1H J 87 | 51 50 t 2H J 8 | 48 48 s 2H | 45 45 t 2H J 7 | 38 37 t 2H J 60 | 29 28 td 2H J 9 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CCl)c(C)cc1Br
ir: 9 5 3 8 14 14 5 10 8 4 1 4 6 2 1 4 7 6 3 10 10 3 2 6 8 6 2 5 5 1 1 5 5 1 2 6 5 2 5 7 6 7 12 17 21 18 16 11 6 1 5 7 4 0 3 7 3 0 3 8 3 1 6 16 18 11 29 13 18 40 20 40 26 9 11 9 3 2 6 6 2 3 7 7 3 4 6 5 5 6 15 19 16 22 29 74 45 12 14 9 2 5 8 6 5 14 12 11 2 5 8 6 1 7 16 10 5 10 13 6 2 6 8 4 3 6 8 5 1 7 14 10 7 9 6 3 2 5 9 13 12 9 6 2 2 6 6 2 3 6 8 49 100 82 13 3 3 5 4 1 3 6 4 1 3 6 3 0 3 6 4 1 4 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 6 3 0 3 6 3 1 3 6 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 6 5 5 8 14 10 3 8 8 10 12 5 9 11 8 16 19 39 76 88 91 53 17 9 9 5 4 6 6 4 2 5 6 3 2 4 5 3 2 4 5 2 2 5 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 72 72 s 1H | 71 70 t 1H J 10 | 46 45 d 2H J 10 | 24 23 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.
CC(C)(C)OC(=O)N1C[C@H](CCc2ccccc2)[C@@H](CNc2ccc(Cl)cc2)C1
ir: 3 4 1 14 63 29 9 4 5 7 10 4 6 3 5 2 2 2 3 2 1 1 1 1 1 2 2 1 2 3 6 4 3 3 2 1 2 5 11 6 16 3 3 6 3 2 2 2 2 1 2 3 6 12 13 20 2 2 3 2 2 2 4 2 2 1 2 2 3 5 2 2 2 2 2 2 2 1 2 2 2 1 1 1 1 1 2 3 2 4 3 2 2 2 3 2 6 4 4 3 3 4 6 3 4 11 19 6 2 2 2 2 2 2 4 10 6 4 5 3 2 4 5 3 5 3 2 3 3 5 6 5 3 53 5 14 3 6 3 2 2 7 6 22 9 3 5 4 18 12 9 100 9 22 1 3 2 0 1 2 2 1 6 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 3 3 3 3 2 2 3 4 3 3 13 13 8 66 14 11 4 2 2 1 2 1 1 2 1 1 1 1 1 1 2 2 2 3 4 5 10 8 23 4 3 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 3H | 72 71 m 4H | 66 66 m 2H | 46 46 t 1H J 62 | 38 37 m 1H | 37 36 dd 1H J 20 119 | 36 35 m 1H | 35 34 m 2H | 32 31 dddd 1H J 18 48 64 129 | 28 27 dtt 1H J 9 86 135 | 26 25 dtt 1H J 8 87 134 | 25 24 dddt 1H J 19 39 62 114 | 21 20 m 1H | 20 19 dtdd 1H J 18 64 87 138 | 17 16 m 1H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CONCc1ccc(F)cc1Cl
ir: 3 4 6 5 8 6 2 2 2 7 7 2 3 3 5 4 3 5 2 2 2 1 1 1 2 1 1 2 2 1 2 2 2 2 2 2 2 5 2 8 9 4 3 2 2 2 2 4 5 7 10 11 24 22 54 24 13 8 4 0 3 9 7 6 28 8 5 11 11 32 14 18 3 5 5 2 3 2 2 2 4 10 10 6 5 2 7 7 1 3 4 4 8 8 4 2 3 2 2 2 2 3 2 3 3 4 3 6 11 20 23 22 22 6 3 5 3 3 3 3 3 3 16 12 2 3 3 4 7 10 3 2 2 2 2 2 1 2 2 2 2 5 4 3 2 1 1 2 21 24 5 23 29 3 2 1 2 2 2 0 4 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 1 2 2 2 2 3 5 6 3 23 20 15 6 4 3 2 2 2 2 2 2 3 3 2 2 3 4 7 0 100 50 11 12 1 1 3 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 73 72 ddt 1H J 9 46 81 | 72 71 dd 1H J 22 121 | 70 69 ddd 1H J 21 80 103 | 44 43 dd 2H J 9 46 | 41 40 t 1H J 47 | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 1 1 1 1 1 1 1 1 1 3 4 4 1 1 6 1 1 1 2 2 2 1 2 3 3 13 18 19 10 14 10 13 18 41 25 3 4 5 5 8 26 100 25 27 88 5 12 12 5 4 3 1 1 2 4 3 1 3 3 11 4 3 2 3 2 4 5 16 16 23 19 21 5 5 13 1 5 9 6 5 3 5 19 3 4 1 1 1 2 1 1 1 1 1 9 3 3 2 3 4 2 2 3 5 7 20 3 3 2 3 6 16 5 10 38 35 20 17 8 12 16 12 5 18 7 8 7 5 8 4 6 2 12 10 3 58 73 10 5 1 8 21 7 34 42 45 15 8 3 2 2 2 6 14 8 20 2 1 1 2 3 1 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 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 3 2 2 2 1 4 3 5 3 8 18 24 72 31 28 7 5 6 4 2 2 3 3 1 1 2 3 1 0 4 7 20 55 17 19 5 12 67 21 4 3 2 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 dt 1H J 10 62 | 73 73 qd 15H J 24 43 | 66 65 dt 1H J 41 62 | 44 43 t 1H J 55 | 35 34 qd 2H J 9 40 | 31 31 dt 2H J 39 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccc(OC)c(I)c2)c(Cl)c1
ir: 1 1 2 6 12 12 3 1 1 1 2 8 4 10 3 1 0 1 1 1 2 16 1 2 1 1 1 0 0 1 1 0 1 2 4 3 3 10 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 2 8 19 7 0 0 1 2 7 3 12 1 2 5 20 11 2 2 1 1 1 1 1 1 1 1 3 2 1 2 2 4 1 2 1 1 1 1 2 3 9 1 1 1 2 0 0 1 1 0 0 1 1 0 1 1 0 0 1 2 1 2 8 3 1 5 3 4 2 7 2 2 4 2 1 3 1 0 1 1 1 0 1 2 4 14 1 2 1 2 54 5 2 1 5 21 6 8 9 1 1 1 1 0 0 0 1 2 0 0 1 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 2 2 7 3 7 100 17 3 3 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 dd 2H J 12 22 | 80 79 dd 1H J 21 85 | 77 77 d 1H J 85 | 75 74 dd 1H J 21 81 | 70 69 d 1H J 81 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC1)N1CC[C@@H](Cn2cnnc2-c2ccc(-c3ccc4occc4c3)cc2F)C1
ir: 17 16 0 12 20 12 3 12 23 20 6 12 12 5 3 12 14 8 5 16 22 20 15 18 17 6 11 43 13 5 7 12 10 7 11 12 20 13 12 23 23 10 10 12 10 5 7 14 12 5 11 23 26 100 90 45 17 2 8 13 8 2 11 14 9 17 27 62 10 3 8 20 28 3 9 13 11 5 10 11 4 4 10 12 7 10 18 18 10 7 16 16 16 15 21 17 5 6 14 13 5 9 43 14 7 13 16 24 10 16 20 12 3 10 16 9 6 20 55 10 4 9 18 9 10 12 14 10 3 21 17 20 18 19 23 7 10 23 29 16 10 13 13 10 8 16 50 70 25 35 29 15 18 33 16 4 7 12 8 4 13 18 8 1 6 14 7 1 6 12 6 1 7 12 6 2 7 12 6 2 7 11 5 2 7 11 5 2 8 10 4 3 8 9 4 3 8 9 4 3 9 9 3 4 9 8 3 4 10 8 3 5 10 8 2 5 10 7 2 5 11 7 1 6 11 6 1 6 11 6 1 6 11 6 2 7 11 5 2 7 10 5 2 7 10 5 3 8 9 5 3 8 9 4 4 8 9 4 4 9 8 3 5 9 8 3 5 10 8 3 5 10 9 3 7 15 11 5 9 15 14 43 12 18 25 15 22 46 60 80 22 44 13 6 10 13 6 3 8 10 5 3 8 10 5 3 8 9 4 4 8 9 4 4 8 8 4 4 9 8 4 4 9 8 3 5 9 7 3 5 10 7 3 5 10 7 2 6 10 6 2 6 10 6 2 6 10 6 2 7 10 5 3 7 9 5 3 7 9 5 3 7 9 5 4 8 8 4 4 8 8 4 4 8 8 4 5 8 8 4 5 9 7 3 5 9 7 3 5 9 7 3 6 9 6 3 6 10 6 2; 1HNMR: 88 88 d 1H J 11 | 79 79 m 2H | 77 76 d 1H J 16 | 76 75 m 2H | 75 74 dd 1H J 22 79 | 74 74 dd 1H J 22 121 | 73 73 t 1H J 18 | 43 42 dd 1H J 70 153 | 41 40 dd 1H J 70 153 | 38 37 dd 1H J 26 108 | 37 36 dddd 1H J 18 43 60 122 | 35 34 m 2H | 22 21 dddt 1H J 21 41 51 85 | 21 20 m 2H | 19 18 m 1H | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1nc2n(n1)-c1ccc(Cl)cc1C(c1ccccc1)=NC2
ir: 4 6 3 4 4 4 8 7 3 4 5 4 5 5 5 6 4 6 6 9 5 4 15 5 6 10 4 11 6 3 5 36 45 8 8 5 7 4 3 5 5 10 92 0 4 6 8 6 5 5 8 1 4 8 28 33 5 2 5 6 4 5 3 4 5 5 6 2 17 71 11 9 3 4 6 7 11 4 9 5 3 3 4 4 6 8 18 14 13 29 5 4 3 3 7 5 5 5 6 5 4 4 4 3 3 3 3 3 4 3 4 6 7 15 32 16 6 17 17 12 39 31 25 18 11 11 12 6 18 13 8 6 12 11 7 24 6 3 3 5 6 3 64 24 7 18 46 7 10 27 2 24 6 5 4 3 8 3 3 3 3 5 6 25 8 6 4 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 4 3 3 4 3 2 3 5 4 6 14 8 10 8 9 17 13 3 5 9 6 2 13 31 98 15 62 100 32 24 6 7 7 5 4 2 4 4 3 3 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 77 77 d 1H J 86 | 76 76 d 1H J 24 | 75 74 m 6H | 52 52 s 2H | 35 34 q 4H J 71 | 12 11 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(CNCc2cccc(-c3cnc(N)c(C(=O)NC)n3)c2)cc1
ir: 1 1 6 1 0 1 1 2 1 1 1 2 9 3 8 5 5 2 2 3 1 2 4 2 1 2 1 1 2 2 2 2 1 1 2 6 4 1 2 3 3 4 1 1 2 3 13 8 2 2 3 1 3 1 3 2 2 1 1 3 1 0 2 1 1 0 1 3 1 1 1 1 1 1 1 1 0 1 0 1 1 4 4 0 1 0 0 0 0 0 0 2 1 1 3 1 1 1 2 3 0 1 2 4 2 1 1 1 2 5 12 3 1 1 5 1 2 1 2 1 1 1 1 4 5 1 1 1 1 1 0 4 7 9 3 1 1 1 1 1 5 3 3 3 4 1 0 1 2 2 17 2 3 11 6 1 7 3 13 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 2 2 6 15 3 3 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 52 23 12 5 3 2 4 12 4 0 0 2 9 100 13 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; 1HNMR: 89 88 s 1H | 79 78 q 1H J 55 | 79 78 tt 1H J 9 21 | 78 77 ddd 1H J 12 21 81 | 75 74 t 1H J 80 | 74 73 ddq 1H J 10 20 79 | 72 71 m 4H | 71 71 s 2H | 40 40 dt 2H J 9 57 | 40 39 dt 2H J 9 57 | 29 29 d 3H J 55 | 28 28 p 1H J 56 | 27 26 tt 2H J 9 64 | 17 16 qt 2H J 63 75 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCc1ncn2nc(-c3ccccc3OCC)[nH]c(=O)c12
ir: 6 6 9 8 15 8 19 17 11 9 24 10 12 6 10 10 5 8 12 23 5 2 9 12 18 25 12 13 10 13 9 8 4 5 3 3 13 9 20 16 16 44 100 83 7 9 6 0 3 6 16 6 9 10 5 2 5 5 6 6 7 6 6 8 8 8 5 5 6 11 6 3 13 12 19 17 13 7 4 10 9 5 5 4 7 6 1 3 8 8 3 3 12 12 89 15 6 3 4 2 9 6 6 9 7 12 13 35 9 28 20 32 15 46 16 27 13 14 24 44 9 7 11 7 4 6 4 3 6 4 4 4 5 13 15 13 10 18 16 11 13 4 7 4 8 4 3 13 39 57 11 11 24 20 7 1 4 2 2 1 1 2 2 1 25 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 3 3 6 11 6 13 18 10 11 8 14 8 5 14 8 15 16 48 21 27 32 39 54 26 11 3 3 3 3 3 4 2 1 1 3 2 1 2 3 4 3 3 5 12 47 18 15 15 5 3 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 s 1H | 82 81 dd 1H J 16 75 | 75 74 td 1H J 16 79 | 72 71 td 1H J 12 76 | 70 69 dd 1H J 12 80 | 43 42 q 2H J 63 | 30 29 t 2H J 73 | 18 17 m 2H | 16 15 t 3H J 63 | 15 14 m 2H | 14 12 m 6H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2
ir: 0 2 2 2 5 2 2 2 0 1 2 1 4 4 9 2 7 3 2 4 1 3 5 1 1 8 12 4 13 9 2 2 2 5 43 15 21 31 100 22 7 3 2 8 5 5 9 15 2 1 2 1 2 3 1 0 3 7 5 3 7 12 8 3 2 2 4 5 50 43 7 1 3 2 5 1 2 3 7 2 2 2 1 1 1 2 1 1 5 5 6 4 2 3 5 9 15 4 3 2 0 7 12 3 5 3 2 10 10 5 11 56 43 21 2 5 5 4 17 27 24 18 19 17 12 16 8 8 5 11 11 11 13 26 26 10 8 6 11 30 28 9 10 14 63 41 7 8 37 11 5 1 1 2 1 2 1 2 5 1 2 1 1 2 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 5 6 7 7 12 10 8 3 2 2 6 5 17 37 72 12 26 17 93 23 5 5 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 22 | 77 76 dt 1H J 9 21 | 44 44 t 2H J 42 | 32 31 td 2H J 9 41 | 30 30 t 2H J 67 | 18 17 dtd 2H J 66 73 140 | 14 14 s 8H | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CNCCCNC(=O)OCc1ccccc1
ir: 6 6 17 9 18 19 7 8 5 5 11 3 4 4 5 3 4 6 5 4 5 6 9 4 3 14 20 66 98 23 19 28 23 44 18 50 18 37 17 25 31 15 6 7 7 5 4 5 6 5 5 4 4 2 3 4 4 3 4 4 4 3 4 6 15 11 18 9 9 18 26 15 30 10 6 6 4 8 4 4 3 3 4 6 4 2 5 5 0 9 2 2 4 4 2 4 5 6 7 6 4 4 3 3 10 24 8 5 4 3 4 4 8 11 8 6 6 6 7 8 20 8 7 16 16 9 14 10 7 6 5 5 6 3 19 8 1 5 9 8 5 15 57 100 95 68 13 11 70 17 30 7 13 7 10 40 19 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 3 4 4 4 6 3 5 3 4 7 6 15 8 20 37 65 11 8 3 4 5 4 4 4 5 4 3 4 4 3 4 4 5 3 7 13 70 63 59 43 31 13 15 6 5 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 83 83 dt 1H J 9 60 | 74 73 m 5H | 63 62 dt 1H J 51 61 | 54 53 t 1H J 57 | 51 51 s 2H | 32 31 m 4H | 18 17 p 2H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1CN2CCC1CC2
ir: 6 3 4 5 3 7 5 9 5 6 29 7 6 5 4 2 3 3 9 8 7 6 6 14 5 7 11 2 4 9 21 20 8 4 13 14 94 67 36 12 6 7 6 2 13 26 19 20 7 5 18 19 25 45 33 2 4 15 3 1 3 5 2 2 1 2 2 2 6 10 4 0 3 4 2 0 11 15 16 33 25 63 36 14 4 3 8 3 3 2 3 2 2 3 2 16 9 11 22 13 4 8 14 22 16 4 5 6 9 6 5 11 6 7 5 6 6 4 3 5 7 6 9 19 12 5 4 9 11 16 8 5 16 7 9 3 4 5 3 3 3 3 4 18 19 22 100 74 85 7 11 11 6 7 2 2 3 1 8 3 2 2 1 1 1 3 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 5 2 4 5 3 4 11 8 11 15 25 34 36 39 43 9 8 8 6 4 2 2 1 1 1 2 1 1 3 3 4 3 4 5 7 23 87 39 20 22 4 5 4 7 4 6 3 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; 1HNMR: 76 75 m 1H | 75 74 m 4H | 65 64 d 1H J 163 | 57 57 d 1H J 88 | 39 39 ddd 1H J 32 50 85 | 31 30 m 3H | 30 29 ddd 2H J 48 74 119 | 28 28 dd 1H J 32 116 | 21 20 dp 1H J 41 50 | 19 18 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(C(=O)c1ccc(OC)cc1)c1ccncc1
ir: 3 3 3 3 3 4 2 2 5 2 11 7 4 4 3 3 3 5 14 15 18 2 6 4 3 2 4 4 4 6 3 3 9 6 3 3 2 3 25 20 4 5 6 7 9 12 4 5 2 1 1 3 1 3 6 25 20 4 4 6 8 3 3 19 21 5 2 2 2 7 5 13 19 9 8 5 4 8 4 4 1 1 1 3 5 2 2 4 7 17 6 4 3 2 3 4 3 2 9 8 5 4 3 3 2 4 4 3 4 3 13 48 8 25 30 10 4 4 13 8 10 30 27 17 13 9 6 3 2 2 5 6 3 5 4 1 1 2 3 1 2 12 14 20 10 15 20 8 13 26 14 33 9 3 2 2 2 2 3 0 47 32 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 2 2 2 2 3 5 3 3 5 5 4 10 5 7 9 23 34 100 38 15 8 8 4 2 4 4 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 80 79 m 2H | 73 73 m 2H | 70 69 m 2H | 48 48 dd 1H J 79 89 | 38 38 s 3H | 36 36 s 3H | 33 32 dd 1H J 82 168 | 31 30 dd 1H J 83 169
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(Cl)cc(Cl)cc1-c1csc(NC(=O)Cn2cnc3ccccc32)n1
ir: 4 3 2 1 1 2 2 1 1 2 2 3 1 2 2 1 2 8 3 2 1 1 2 1 2 3 2 3 14 4 3 6 6 5 3 3 1 2 2 1 4 12 100 9 5 2 1 3 7 3 3 1 1 1 1 1 1 1 1 0 1 1 2 4 4 11 20 5 6 10 4 5 10 9 2 1 1 1 1 1 3 1 0 1 3 1 1 1 3 4 4 2 4 5 2 3 3 4 6 11 15 16 5 6 4 2 4 2 1 3 2 1 0 1 1 1 2 4 8 8 3 6 6 5 7 3 4 11 3 2 2 2 2 3 10 7 7 27 7 6 3 1 3 3 7 13 3 5 11 5 10 5 2 2 10 2 6 1 1 1 0 0 1 8 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 3 1 2 4 5 3 1 2 2 2 2 1 6 13 21 32 28 33 46 17 8 4 3 2 1 1 1 1 1 0 2 2 1 1 1 1 1 1 1 2 5 5 5 2 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 9 | 78 77 dd 1H J 14 66 | 76 75 m 2H | 75 75 d 1H J 22 | 75 74 m 2H | 74 73 td 1H J 15 69 | 51 51 d 2H J 9 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc2nc(N)[nH]c2c1
ir: 1 2 1 3 1 1 1 1 1 1 0 1 1 1 1 2 2 6 11 8 8 4 4 3 3 3 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 1 1 1 1 2 8 4 5 3 1 1 1 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 2 1 1 4 1 1 0 0 0 0 0 0 1 0 1 1 0 1 3 1 0 0 0 1 0 0 0 0 0 1 1 2 1 3 3 1 2 0 1 1 0 0 1 1 1 1 0 0 1 0 0 1 1 1 1 1 0 0 0 1 0 0 1 2 10 4 1 1 2 1 1 1 4 1 1 1 4 3 7 6 10 3 1 1 1 1 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 1 2 1 2 5 3 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 7 5 1 1 1 1 2 3 10 5 3 0 100 34 2 1 1 1 1 1 0 1 0 1 0 1 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 0 0; 1HNMR: 82 82 s 1H | 75 75 d 1H J 83 | 70 69 dd 1H J 22 82 | 68 68 d 1H J 22 | 68 68 s 2H | 41 40 q 2H J 67 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)Cc1ccc(O)c(OC)c1
ir: 13 14 30 37 11 7 4 2 2 5 4 2 2 4 4 3 2 1 2 1 1 1 1 1 1 1 0 2 10 14 2 1 1 2 2 1 4 2 2 1 2 3 2 2 1 1 2 2 2 3 3 4 4 6 7 13 5 3 1 1 1 2 1 2 2 19 7 4 11 4 2 2 1 3 2 4 2 4 6 24 5 2 1 2 1 3 4 3 6 7 1 6 19 25 23 5 4 2 3 6 6 3 3 4 4 2 0 0 1 1 1 3 5 2 2 2 3 4 1 5 2 4 3 3 3 2 3 2 2 2 2 4 2 1 0 1 1 1 0 1 2 1 2 13 34 39 2 1 1 11 13 4 1 12 9 2 1 1 0 1 1 0 1 0 1 0 0 1 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 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 2 3 2 1 1 1 2 2 10 18 6 12 50 14 6 2 1 4 5 26 100 30 1 4 1 1 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 1 1 1 0 0 1 0 0 0 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; 1HNMR: 68 68 m 3H | 58 58 s 1H | 42 41 t 2H J 57 | 39 38 s 2H | 36 36 d 2H J 9 | 18 17 qt 2H J 57 80 | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCCC(Sc2ccc(C#N)cc2)C1
ir: 7 3 0 4 7 4 1 4 7 3 1 4 6 2 0 4 6 3 3 7 6 3 2 6 13 13 4 6 5 2 3 5 7 6 4 6 9 13 4 7 5 2 3 7 4 1 3 8 5 1 3 7 5 1 6 17 34 14 5 7 6 1 5 8 6 3 4 8 7 11 4 6 2 1 4 5 2 1 4 6 2 2 4 5 3 3 7 8 2 3 6 5 3 5 8 6 2 4 6 5 4 7 9 6 2 3 9 5 2 3 7 4 1 9 9 6 2 6 7 6 3 9 11 15 13 5 8 4 2 5 6 5 3 6 6 3 1 5 5 1 1 6 10 7 100 80 10 6 3 8 5 5 5 6 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 20 5 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 6 4 3 4 8 5 3 4 9 6 5 8 16 11 16 49 14 20 10 10 13 4 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 1; 1HNMR: 76 76 m 2H | 74 74 m 2H | 33 32 m 1H | 19 18 m 2H | 17 13 m 7H | 10 10 s 2H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CCN(C(=O)c3ccc(N4CCC4=O)cc3S(C)(=O)=O)CC2)c(C)c1
ir: 4 4 1 7 2 3 10 6 3 3 5 8 2 3 18 3 4 6 11 9 7 4 4 6 2 2 2 3 14 9 2 2 1 2 1 3 5 5 24 3 2 3 2 1 3 6 7 0 2 3 2 0 3 28 14 73 13 4 3 3 3 3 5 5 3 5 6 23 30 2 3 5 5 5 63 3 1 1 3 2 5 11 12 6 13 22 100 22 10 4 4 2 5 8 11 6 19 8 5 12 3 10 25 15 32 17 35 3 10 3 0 27 21 6 4 4 5 12 1 9 9 8 36 9 5 4 4 9 9 7 4 32 15 1 5 11 3 2 2 2 2 3 8 7 4 13 3 12 5 14 19 15 3 6 4 11 2 2 1 2 2 1 3 6 2 2 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 5 3 2 3 3 9 4 2 3 5 5 13 37 39 24 32 29 50 23 5 1 2 3 1 1 2 3 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 1 1; 1HNMR: 80 79 d 1H J 81 | 77 77 d 1H J 22 | 73 72 dd 1H J 22 81 | 70 70 m 1H | 69 69 d 1H J 84 | 68 68 d 1H J 27 | 39 39 t 2H J 59 | 37 36 m 4H | 34 34 m 4H | 33 32 s 3H | 28 28 t 2H J 59 | 24 23 m 2H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(NC(=O)CN(C)C)cc(Cl)c1O2
ir: 58 41 16 8 9 7 7 5 9 6 9 6 30 28 6 11 4 5 3 4 8 12 6 5 6 2 2 3 3 7 6 5 13 10 7 36 12 1 11 23 11 3 3 7 8 5 2 9 11 17 7 7 5 5 7 4 3 2 6 4 3 3 3 10 36 21 53 43 45 6 10 9 3 0 3 5 3 3 7 5 3 3 6 32 9 27 14 18 4 3 9 13 9 4 13 65 13 9 19 12 12 16 9 5 2 3 8 37 10 8 8 6 6 3 7 5 6 16 15 13 6 4 5 3 1 19 8 7 13 12 13 12 4 3 7 4 1 6 5 13 7 4 6 4 11 100 75 22 28 7 5 3 2 4 4 1 26 8 4 4 3 7 38 2 3 4 3 0 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 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 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 2 2 2 1 1 3 3 1 1 3 3 2 2 3 3 2 3 14 14 3 3 3 3 3 4 8 41 14 16 60 20 8 8 5 5 2 2 3 4 2 3 3 2 2 3 3 3 2 5 10 5 6 14 82 54 7 9 5 1 2 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1; 1HNMR: 92 92 s 1H | 86 85 d 1H J 22 | 79 78 d 1H J 22 | 77 77 d 1H J 22 | 75 75 dt 1H J 9 20 | 48 47 d 2H J 7 | 39 39 s 3H | 35 34 s 2H | 26 26 s 6H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(-c2cccc3cc(C(C)=O)oc23)cc(C(C)C)cc1C(C)C
ir: 1 2 13 1 2 2 2 3 1 6 2 2 2 1 1 6 35 5 3 2 1 3 2 2 2 2 7 12 23 60 44 4 1 2 4 2 15 26 17 12 20 4 4 4 2 6 4 19 6 47 55 3 2 4 2 1 2 4 1 1 3 4 3 4 3 14 13 12 25 34 17 11 9 6 5 15 11 5 4 7 8 7 5 6 2 2 1 2 7 21 9 22 4 6 2 6 7 15 2 4 4 3 1 5 16 48 20 12 6 17 31 5 3 4 3 6 10 11 16 22 14 7 9 16 21 27 21 11 7 10 5 6 19 16 11 2 1 3 9 53 10 3 1 2 2 15 56 11 4 3 9 2 2 1 2 4 1 2 2 10 3 0 7 2 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 12 7 3 5 5 3 2 4 4 5 9 13 5 15 30 21 18 35 82 85 100 17 12 7 3 3 5 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 93 | 77 76 dd 1H J 21 91 | 76 76 d 1H J 21 | 75 74 m 1H | 75 74 m 1H | 72 72 dt 1H J 9 20 | 42 41 q 2H J 62 | 32 31 m 1H | 31 30 m 1H | 25 24 s 2H | 15 14 t 3H J 62 | 13 12 dd 13H J 68 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C(C)CC)[C@H](O)c1ccccc1
ir: 1 1 3 1 2 3 1 1 3 2 3 1 1 0 1 1 1 1 1 1 1 2 1 1 1 2 1 2 3 2 1 1 7 19 2 1 11 8 1 8 3 16 3 2 2 0 1 4 2 0 1 1 1 2 2 1 1 1 0 0 2 0 1 4 2 1 1 1 2 5 1 1 2 1 1 1 3 3 8 2 3 4 4 2 1 2 2 26 8 6 6 1 1 1 1 7 1 1 1 0 0 0 0 0 2 1 4 3 1 0 1 1 0 1 1 2 1 2 2 2 2 1 2 5 2 2 1 1 3 1 1 1 0 1 1 17 2 1 1 1 2 2 5 8 11 32 26 7 2 0 0 1 4 0 0 0 0 0 6 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 8 10 9 7 27 6 2 2 1 0 0 9 100 20 4 1 0 0 1 1 0 0 1 0 1 1 3 1 16 4 6 2 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 68 68 d 1H J 90 | 50 49 m 1H | 43 43 d 1H J 75 | 43 41 m 2H | 39 38 dtq 1H J 15 72 88 | 37 37 d 1H J 75 | 36 35 d 1H J 49 | 21 19 dddt 1H J 16 32 69 122 | 15 14 dqd 1H J 52 72 126 | 13 12 m 1H | 11 10 t 3H J 63 | 10 9 dd 3H J 15 68 | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)n2nc(/C=C/c3nc(N4CCCC4=O)cn3C)nc2n1
ir: 9 8 11 9 29 8 13 13 3 2 11 11 3 6 4 9 3 4 5 54 9 6 6 7 3 3 5 2 3 2 8 3 2 1 2 2 2 4 13 9 8 11 7 4 3 1 3 3 13 27 4 0 1 4 6 8 48 21 9 6 2 3 5 4 5 6 5 6 8 8 63 41 6 2 4 3 5 2 1 2 2 12 4 4 2 2 2 7 4 20 29 3 8 13 4 16 3 2 6 4 2 2 3 1 1 5 3 5 6 13 3 7 4 3 2 7 20 4 9 11 7 11 9 5 9 9 1 6 11 21 6 3 10 7 3 2 7 9 3 9 11 31 4 7 38 17 2 3 9 100 7 2 3 1 1 2 2 5 16 2 1 0 1 1 1 4 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 1 1 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 0 1 1 0 0 0 1 0 0 1 1 1 1 5 4 1 1 1 2 6 7 4 2 4 3 4 5 17 26 21 15 46 19 11 17 3 4 3 4 1 3 1 2 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 s 1H | 73 73 d 1H J 139 | 72 72 d 1H J 137 | 70 69 dq 1H J 11 23 | 38 38 t 2H J 51 | 38 37 s 3H | 26 26 d 3H J 11 | 26 25 m 5H | 21 20 p 2H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(F)c(F)nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(Cl)c32)c1F
ir: 8 6 10 6 6 4 1 3 2 2 4 2 2 3 1 3 3 2 2 11 7 19 6 2 6 4 2 2 1 2 2 2 2 1 2 1 2 2 2 2 4 3 2 1 4 1 2 6 6 9 3 1 2 1 1 1 1 1 1 1 3 1 1 1 3 1 3 2 2 3 2 3 1 3 4 2 13 14 6 3 1 3 2 2 1 1 3 1 2 6 2 4 1 1 1 1 1 1 2 1 1 3 1 1 1 2 1 2 1 1 1 1 6 1 1 1 1 1 30 1 1 1 2 1 13 2 4 3 2 4 1 1 1 1 1 1 1 1 1 2 2 1 1 4 2 1 1 3 1 5 4 2 2 0 15 1 1 2 24 12 3 6 2 14 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 1 2 3 1 1 1 1 1 1 2 3 4 2 2 3 2 1 1 2 12 16 7 1 1 1 1 1 1 2 47 2 1 1 1 1 1 1 1 2 1 8 100 0 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 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: 85 85 s 1H | 83 82 dd 1H J 48 121 | 50 49 t 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)CCC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
ir: 1 1 0 0 1 0 1 1 1 0 1 3 1 0 0 0 0 1 0 1 1 0 1 2 2 1 1 3 3 3 12 13 11 5 7 11 6 3 3 2 2 2 2 9 5 4 1 1 3 5 1 1 1 1 5 2 1 1 1 1 1 2 4 16 6 6 3 4 7 4 1 1 1 1 0 0 1 1 0 0 2 4 9 8 4 8 3 2 3 0 1 1 0 0 1 1 3 3 2 2 4 1 1 1 1 2 1 1 1 2 2 2 3 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 2 2 1 2 5 6 14 6 4 1 1 1 1 4 1 1 7 4 5 24 13 7 6 3 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 3 1 2 3 7 1 9 3 1 3 4 1 1 1 1 0 0 1 1 2 0 20 7 4 2 2 4 10 26 100 13 17 4 2 2 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 t 1H J 40 | 71 70 m 3H | 62 61 d 1H J 78 | 40 40 d 2H J 40 | 36 36 t 2H J 8 | 36 35 dp 1H J 46 79 | 28 28 ddd 2H J 57 84 128 | 25 24 m 4H | 23 22 td 2H J 7 79 | 20 19 dddd 2H J 48 57 84 130 | 17 16 dddd 2H J 47 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)c(COc2ccc(C=CC(=O)O)cc2)c(OC)c(OC)c1OC
ir: 4 6 5 5 5 7 10 13 7 8 13 12 12 11 13 8 9 13 15 26 100 47 0 15 9 10 9 9 9 7 6 7 11 5 6 9 18 9 5 6 6 5 5 8 15 14 7 7 6 4 5 9 11 7 6 8 6 14 13 13 8 11 11 9 6 6 7 10 12 15 6 8 8 6 6 8 16 30 62 14 5 9 8 16 35 26 15 9 7 5 7 5 5 5 7 6 4 4 5 5 5 6 6 18 5 6 6 6 5 7 7 6 11 6 5 5 5 6 7 7 8 6 5 5 5 7 8 6 5 6 8 11 6 7 6 6 6 6 6 5 12 8 6 5 5 5 6 7 94 29 11 5 6 6 5 6 5 5 10 15 6 6 5 4 9 6 5 4 5 6 4 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 6 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 6 7 5 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 5 5 5 5 4 5 5 5 5 5 5 5 5 6 7 16 30 30 51 18 8 10 6 6 5 5 6 57 73 54 7 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 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 6 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 4 5 4 4; 1HNMR: 75 75 m 2H | 72 71 dd 1H J 9 112 | 69 69 m 2H | 61 60 d 1H J 112 | 52 52 s 2H | 40 40 s 7H | 39 39 d 7H J 40 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O
ir: 3 4 8 2 1 2 4 4 8 12 7 12 16 6 16 7 3 4 4 2 4 4 12 6 6 8 5 4 6 8 9 6 3 2 1 6 1 3 3 12 30 12 10 1 2 1 2 2 2 2 3 1 1 1 2 0 1 1 2 0 2 2 1 6 2 3 2 0 2 3 3 2 2 2 1 1 4 3 2 4 2 3 2 2 3 8 5 3 4 9 8 12 7 6 12 34 18 11 5 11 4 2 3 4 4 3 2 2 6 3 2 2 1 1 0 1 2 3 2 1 4 7 1 4 3 3 3 2 1 1 1 1 1 0 2 7 1 1 1 2 3 1 7 6 51 5 1 5 1 0 1 1 1 1 1 1 1 1 0 2 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 2 2 2 2 3 4 1 6 6 3 15 61 82 100 20 5 29 2 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H | 73 72 dd 1H J 14 78 | 53 53 ddd 1H J 48 59 75 | 52 52 d 1H J 60 | 52 51 s 1H | 40 40 s 3H | 35 34 d 1H J 157 | 33 32 d 1H J 157 | 25 24 dd 1H J 47 141 | 23 22 dd 1H J 75 139 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=C(c2ccc(OCc3ccccc3)cc2)N(C)C)cc1
ir: 1 1 1 1 1 2 3 2 4 4 2 3 2 2 3 3 2 3 1 3 1 1 1 1 1 1 1 3 2 3 7 5 2 3 1 1 2 5 9 12 17 7 1 2 1 0 1 0 1 1 1 0 3 15 34 47 12 4 7 5 2 0 4 4 17 25 14 5 7 6 3 4 1 0 1 2 1 1 2 2 1 1 1 2 1 1 4 7 4 6 5 6 7 3 3 2 1 3 3 2 1 1 16 6 1 1 2 1 0 1 1 1 0 1 10 1 3 1 4 3 1 1 3 2 2 1 6 5 2 1 1 1 2 1 16 26 8 3 2 1 1 2 8 19 1 3 7 3 24 12 12 7 8 2 2 2 4 7 2 1 1 1 2 0 1 5 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 2 2 8 22 47 100 21 24 11 4 3 5 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 74 74 m 1H | 74 73 m 8H | 73 73 m 1H | 70 69 m 4H | 60 60 s 1H | 51 50 t 2H J 9 | 38 38 s 2H | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N\Nc1ccc(Br)cc1)c1ccccc1F
ir: 3 3 2 4 4 4 3 5 7 4 5 12 2 2 1 2 4 4 1 1 2 2 1 2 2 1 2 31 23 14 8 6 8 7 2 3 7 4 1 3 2 0 29 27 5 3 2 3 2 2 1 5 5 6 23 15 12 1 2 2 2 1 1 2 1 5 4 7 7 10 5 2 1 1 4 4 6 2 2 2 3 2 4 5 2 3 5 8 1 1 2 1 2 2 5 2 4 3 4 3 1 1 2 1 3 12 6 7 12 15 7 3 1 1 2 3 13 4 7 3 2 2 3 4 8 3 3 11 4 9 2 1 3 6 28 24 17 12 7 2 2 6 7 6 4 8 33 18 24 11 3 6 3 2 3 7 14 10 6 1 2 2 3 10 16 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 2 2 4 5 10 24 20 65 50 11 7 6 3 1 2 4 2 0 2 3 1 0 2 3 2 1 4 6 7 8 22 56 100 25 14 5 4 3 2 1 2 2 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; 1HNMR: 82 82 s 1H | 76 74 m 7H | 73 72 td 1H J 15 85 | 72 71 ddd 1H J 14 78 103 | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCON=C(C(=O)O)c1nsc(NC=O)n1
ir: 1 2 2 0 1 1 0 2 2 1 1 3 5 7 11 16 6 2 1 5 17 66 44 9 8 21 11 12 6 4 3 1 1 0 1 0 1 1 2 2 1 1 1 1 1 1 0 0 0 1 0 0 0 0 1 1 1 0 0 0 1 0 1 1 1 0 1 2 2 6 10 21 5 3 5 5 8 25 100 37 20 24 3 3 2 1 2 5 7 2 4 3 4 1 0 1 2 3 8 9 1 3 2 1 2 2 4 5 1 1 0 1 0 1 1 1 1 2 2 2 1 0 1 1 1 0 1 2 14 15 3 0 1 0 0 0 0 4 2 3 2 1 3 37 37 1 1 1 0 0 0 1 13 5 10 8 6 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 2 3 1 1 0 0 0 1 0 0 0 1 2 15 21 5 0 0 0 0 0 0 1 1 1 1 1 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 d 1H J 64 | 88 87 d 1H J 64 | 42 42 q 2H J 65 | 13 13 t 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)Nc1ccc(Br)cc1N
ir: 2 4 7 3 23 7 14 13 4 3 3 9 1 3 2 11 10 9 6 2 5 4 3 6 11 6 3 4 6 4 2 1 4 2 1 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 21 1 1 1 1 1 1 2 1 1 1 1 1 6 1 1 1 1 3 1 1 3 2 3 1 1 2 3 2 1 2 3 2 2 17 27 12 4 1 1 4 2 1 1 1 1 1 10 3 1 1 1 1 1 1 1 1 1 2 4 4 3 2 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 1 1 1 1 1 5 2 1 2 7 9 8 3 3 2 2 7 23 5 2 1 1 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 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 2 6 5 4 13 9 2 2 5 1 0 15 97 5 3 2 3 1 1 1 1 2 4 56 3 3 2 3 13 41 2 6 4 4 10 100 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 dd 1H J 22 82 | 69 69 d 1H J 22 | 67 67 d 1H J 82 | 60 60 d 1H J 81 | 44 44 s 2H | 39 37 m 2H | 37 36 t 1H J 57 | 36 35 ddd 1H J 40 58 115 | 13 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3CCCCC3=O)CN1CC2
ir: 13 12 6 4 6 3 4 3 4 7 3 14 11 7 9 6 7 5 4 6 6 5 9 14 25 22 9 11 12 10 3 4 4 4 2 6 8 3 2 9 7 3 4 5 9 12 17 10 6 5 5 8 8 10 4 89 100 10 4 11 5 58 26 9 12 9 12 17 85 34 8 8 8 14 30 18 7 26 34 36 41 15 19 22 35 23 18 11 13 13 5 9 22 20 14 5 5 7 6 4 6 10 8 6 6 6 8 4 12 8 6 6 6 7 9 9 8 6 6 6 6 6 20 12 40 37 21 22 42 15 43 40 25 40 25 25 30 10 5 5 4 5 4 3 3 3 7 6 16 74 47 9 6 8 13 2 2 3 2 1 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 3 1 2 3 3 1 2 4 3 3 8 8 5 5 3 6 5 3 7 10 27 4 6 28 19 3 3 4 2 1 3 3 3 3 3 12 20 24 17 24 12 19 15 11 7 16 29 8 3 2 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 2 1 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 66 66 t 1H J 9 | 65 65 d 1H J 6 | 39 38 s 6H | 35 35 ddd 1H J 28 56 82 | 35 34 m 1H | 34 31 m 6H | 30 28 m 4H | 27 26 dd 1H J 27 112 | 25 23 m 2H | 22 21 ddd 1H J 37 49 136 | 19 18 m 1H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(=O)CSc1ccc(Cl)cc1
ir: 8 4 1 2 4 3 5 8 16 35 31 4 3 12 5 5 2 4 21 9 4 2 0 1 2 0 1 2 2 1 4 13 2 1 0 2 2 0 1 3 2 0 1 4 3 2 9 8 3 1 4 9 56 49 50 20 11 4 2 1 1 2 2 6 1 2 1 2 12 4 1 2 4 5 8 8 4 2 1 5 1 1 2 3 3 6 5 2 3 3 2 6 27 9 9 5 3 4 18 8 8 5 3 3 1 1 2 2 2 3 6 4 2 8 18 6 2 7 13 12 19 39 14 14 8 4 11 69 46 50 12 3 4 2 3 2 2 5 4 7 5 23 37 88 100 10 38 10 6 5 4 10 14 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 4 5 7 19 11 7 4 3 3 5 13 50 80 66 57 23 70 57 16 7 2 2 9 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 74 73 m 2H | 73 73 m 2H | 42 41 q 2H J 66 | 38 38 s 2H | 36 35 s 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc2[nH]c(=O)[nH]c2c1
ir: 8 8 8 13 26 7 15 14 7 5 6 6 5 5 5 5 5 5 5 5 7 7 8 7 8 8 5 6 6 8 6 5 6 6 11 11 17 30 19 6 8 6 6 6 5 6 6 5 5 8 9 7 16 14 13 23 10 32 20 45 19 12 7 5 7 6 8 7 14 34 34 13 8 9 5 5 6 6 7 7 6 7 6 5 6 7 9 5 5 5 6 5 6 6 5 5 6 9 5 10 7 12 14 7 5 5 5 5 5 5 5 6 5 5 6 5 6 6 7 11 11 9 16 12 5 13 11 7 5 10 25 19 42 16 20 32 16 14 13 11 16 6 6 7 6 5 5 6 5 4 5 5 5 4 5 5 5 4 4 7 9 0 45 23 8 8 6 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 5 5 5 5 7 11 9 8 10 7 6 5 5 5 5 5 6 7 7 10 9 10 18 23 25 19 21 36 61 30 59 100 11 34 54 11 10 7 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 76 76 dt 1H J 9 19 | 71 70 m 2H | 40 39 tt 2H J 8 62 | 15 15 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOC(=O)c1ccc(C=O)cc1
ir: 4 7 12 4 3 2 2 1 7 11 3 3 5 12 46 16 20 2 2 1 1 1 1 1 1 1 2 2 0 1 1 2 3 6 1 1 1 1 4 2 2 3 4 1 1 3 3 1 2 3 1 3 16 21 19 9 2 1 1 1 1 3 2 1 1 1 1 0 2 3 24 3 1 0 1 1 2 7 9 2 1 1 1 1 1 1 1 3 9 1 1 1 1 4 2 2 1 1 1 2 3 24 9 4 9 7 1 4 0 3 4 4 4 4 13 33 17 9 10 7 3 6 4 5 11 58 16 7 2 1 1 1 1 1 1 1 1 1 1 1 2 9 9 40 49 60 2 4 2 2 1 23 4 3 2 22 3 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 4 1 1 2 4 2 2 3 2 1 3 3 4 1 17 22 25 100 17 8 8 8 2 1 1 2 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 80 80 m 2H | 79 79 m 2H | 44 43 t 2H J 61 | 18 17 tt 2H J 61 73 | 15 14 dq 2H J 69 79 | 14 12 m 4H | 9 9 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)(c2ncc3ccccn23)CC1
ir: 9 7 4 9 6 4 4 4 4 4 11 4 4 5 2 6 7 7 12 4 3 1 0 1 1 1 1 3 3 9 7 28 54 28 4 2 2 1 3 3 6 6 3 6 3 11 16 100 8 1 1 3 2 0 7 10 41 18 14 3 31 16 18 38 6 1 4 2 2 4 11 3 3 8 9 2 7 11 25 18 7 18 8 7 5 13 15 8 11 7 6 4 3 5 3 71 13 15 15 4 5 3 3 5 5 5 3 4 5 6 5 3 18 49 79 22 40 40 32 24 40 29 32 65 15 15 17 32 45 30 24 17 15 15 18 55 35 6 5 2 2 3 4 15 21 25 35 8 6 1 2 1 1 1 0 1 1 0 2 3 8 4 1 2 1 0 0 2 2 3 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 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 0 0 0 0 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 2 2 2 1 1 1 2 2 1 3 12 6 16 12 4 13 21 20 22 9 10 8 22 52 89 70 41 57 53 37 92 39 11 6 3 12 36 6 2 3 2 2 2 1 1 0 1 1 4 1 1 2 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 dd 1H J 15 73 | 80 80 s 1H | 77 76 m 1H | 74 73 ddd 1H J 16 66 91 | 70 69 ddd 1H J 15 66 73 | 42 42 s 1H | 39 38 ddd 2H J 38 65 126 | 36 35 ddd 2H J 38 65 126 | 27 26 ddd 2H J 38 66 143 | 24 23 ddd 2H J 38 65 143 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)c(OC(CCOS(C)(=O)=O)C(C)C)c1
ir: 4 3 8 7 2 3 5 2 1 1 2 1 1 1 1 0 0 1 0 1 0 0 0 1 2 0 0 0 1 2 1 1 0 1 3 1 1 1 0 0 0 0 2 1 1 0 0 1 1 3 3 2 5 12 19 1 1 3 6 1 1 1 1 0 4 1 2 6 5 8 3 4 16 32 5 3 1 2 4 2 1 0 1 1 1 1 8 5 100 8 4 1 2 1 0 1 2 2 1 2 4 6 2 3 1 1 3 1 1 1 1 1 1 1 0 0 1 1 0 1 2 2 8 2 2 2 0 1 1 3 1 1 0 1 0 1 2 1 1 1 5 1 1 0 1 1 1 1 4 2 1 1 3 11 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 0 0 1 1 1 1 1 1 1 1 1 2 5 12 3 6 10 9 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 1H J 85 | 67 66 dd 1H J 23 85 | 65 64 d 1H J 22 | 44 43 qdd 1H J 15 30 65 | 42 41 dt 1H J 66 121 | 41 40 dt 1H J 65 121 | 38 38 s 2H | 30 30 s 2H | 22 21 dq 1H J 65 132 | 20 18 m 2H | 10 9 dd 3H J 14 69 | 9 9 dd 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)c1ccc(CN)c(C)c1
ir: 1 4 4 5 7 15 50 39 12 23 7 6 4 5 4 9 10 5 4 3 2 3 7 10 42 100 23 6 4 5 3 3 3 5 5 5 3 5 8 8 20 20 11 9 10 11 20 6 14 15 15 7 8 31 16 13 20 4 9 8 8 6 5 0 5 11 8 11 14 7 18 56 39 13 14 21 6 5 4 18 11 4 3 3 6 6 7 5 4 6 12 10 6 9 8 13 22 8 2 2 7 4 4 7 9 20 20 2 4 2 2 2 4 3 2 7 5 3 6 6 13 13 11 18 8 15 12 24 45 15 41 21 94 85 33 9 9 7 3 3 3 4 8 11 5 6 17 41 14 5 15 21 9 23 10 2 27 35 3 2 2 2 3 5 51 2 2 3 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 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 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 4 2 3 4 6 5 7 10 17 42 26 9 7 3 4 1 3 2 5 7 7 5 19 63 37 12 19 15 18 13 9 20 48 85 61 20 5 3 8 3 1 5 3 2 1 2 3 3 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 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 2 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 2H | 74 74 t 1H J 9 | 73 73 m 2H | 70 69 m 1H | 70 70 s 1H | 63 63 s 1H | 53 53 d 2H J 7 | 40 39 td 2H J 7 62 | 38 38 s 3H | 24 23 s 3H | 23 23 s 3H | 16 15 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1[C@@H](Cc2cc(OC)c(Br)cc2O)C(C)(C)CC[C@]1(C)O
ir: 4 1 4 3 1 2 3 7 3 5 2 2 7 5 4 3 3 2 3 1 1 4 2 3 5 4 3 1 3 3 2 2 1 2 1 1 1 1 4 4 3 1 2 1 1 1 2 1 2 1 1 0 1 1 1 2 2 5 3 8 1 0 3 3 6 2 18 14 9 12 4 7 15 14 26 46 19 17 16 15 12 10 18 46 38 16 11 5 5 8 2 5 21 10 13 6 7 4 7 5 7 4 0 14 12 8 5 1 1 1 3 2 1 1 3 4 2 4 9 11 11 6 7 3 5 2 3 2 3 4 9 6 7 3 1 2 2 2 6 10 1 0 1 1 1 1 0 2 1 0 2 4 29 4 1 0 1 1 1 1 1 1 3 3 2 2 1 1 1 0 0 0 0 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 1 1 2 2 1 1 1 1 3 2 3 2 4 2 1 2 3 5 4 2 4 9 10 5 4 12 4 14 44 15 7 11 13 8 13 17 100 34 2 4 4 2 2 3 2 2 2 2 2 2 0 2 3 1 2 1 3 2 1 1 2 1 1 1 2 2 1 1 0 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 1H | 67 67 t 1H J 9 | 51 51 t 1H J 19 | 50 49 t 1H J 19 | 47 47 s 1H | 39 38 s 3H | 33 32 s 1H | 28 27 m 1H | 28 27 s 1H | 26 26 ddd 1H J 8 106 123 | 19 18 m 1H | 17 16 m 3H | 15 14 m 1H | 13 12 s 3H | 10 9 d 2H J 14 | 9 9 d 2H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccncc1N1CCN(c2ccc3[nH]nc(C)c3c2)C1=O
ir: 2 2 1 1 2 1 21 4 3 5 4 7 18 100 5 21 11 4 1 7 8 2 1 1 2 2 4 11 10 5 9 27 7 6 7 24 37 17 74 17 9 15 8 2 3 3 15 3 3 8 6 2 3 7 34 13 7 4 1 0 8 0 1 6 3 14 29 3 9 5 4 18 7 7 12 9 2 2 4 6 8 1 2 2 2 1 7 4 12 3 42 1 10 2 2 11 14 28 3 4 9 0 2 1 2 5 11 22 84 31 11 7 43 18 5 8 7 8 6 6 4 8 6 6 7 5 2 4 6 4 2 8 10 2 8 20 15 19 4 1 0 2 5 45 5 4 90 8 4 2 4 4 14 88 68 49 35 6 3 3 54 0 2 2 3 0 1 1 0 1 0 1 1 0 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 4 3 2 1 1 3 4 1 1 3 2 3 9 21 25 26 38 74 42 15 8 1 3 2 2 1 1 1 2 0 1 1 1 1 1 0 1 1 3 2 0 1 4 11 31 15 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 14 | 81 81 dd 1H J 13 49 | 80 79 d 1H J 21 | 75 75 d 1H J 72 | 74 73 dd 1H J 22 71 | 70 70 m 1H | 41 40 m 1H | 41 41 s 4H | 30 29 s 3H | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc1c3n2
ir: 8 3 0 3 7 3 0 5 6 3 2 7 7 14 12 11 9 14 7 5 7 4 6 8 5 2 4 7 11 7 6 6 5 3 12 28 19 7 8 13 14 16 12 10 9 3 5 18 14 3 10 23 64 7 10 10 6 3 5 9 8 2 3 7 7 2 4 8 10 4 6 7 2 4 6 8 3 1 5 6 3 3 13 5 3 2 5 4 7 5 6 8 7 7 8 6 2 7 6 47 2 4 6 7 10 9 10 4 4 14 17 7 2 7 7 6 3 7 14 4 4 6 11 15 8 8 11 4 8 6 11 7 3 5 8 4 6 12 14 4 3 7 6 7 100 9 9 6 10 47 46 9 8 71 25 30 38 15 6 2 38 14 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 2 3 7 5 4 4 6 4 2 3 10 11 5 5 7 20 6 11 16 5 3 3 5 3 2 4 5 3 2 4 4 3 2 4 5 3 4 9 25 12 16 9 8 3 3 5 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 88 88 d 1H J 57 | 84 84 s 1H | 80 79 dd 1H J 16 141 | 77 77 t 1H J 49 | 73 73 ddd 1H J 7 16 121 | 73 72 d 1H J 57 | 51 51 td 1H J 7 47 | 37 37 t 2H J 36 | 34 34 td 2H J 48 59 | 30 29 t 2H J 80 | 22 21 td 2H J 46 58 | 21 20 m 2H | 20 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.