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Cc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1C
ir: 4 7 4 3 11 8 8 7 17 7 5 6 2 4 4 4 6 4 3 2 1 3 3 2 1 2 3 1 2 3 5 4 7 6 3 2 3 11 22 20 24 15 23 27 47 21 7 5 2 2 2 1 2 9 6 7 2 7 4 2 8 2 3 2 4 5 4 5 8 10 6 5 8 12 4 5 9 10 10 14 3 11 30 51 74 47 16 12 13 12 6 3 5 5 11 23 6 5 2 2 5 4 4 9 7 7 4 5 4 2 3 5 2 6 6 11 12 9 9 14 8 11 5 9 6 6 9 10 13 17 6 9 9 23 4 2 2 20 7 6 4 3 16 54 21 6 8 13 8 6 38 21 9 5 3 8 2 1 1 5 7 3 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 3 2 3 4 2 5 8 5 9 4 7 10 13 18 27 48 86 100 25 6 6 4 3 8 22 26 5 2 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 2 2 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 1H | 76 76 dd 1H J 21 85 | 75 74 dd 1H J 14 80 | 73 73 td 1H J 15 82 | 72 72 dq 1H J 11 85 | 71 70 td 1H J 14 80 | 66 65 ddd 1H J 8 14 84 | 48 47 m 1H | 47 46 tq 1H J 65 77 | 29 28 d 1H J 48 | 27 26 ddd 1H J 60 77 136 | 23 23 m 6H | 13 13 ddd 1H J 60 77 135 | 12 11 d 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NC[C@H]1Cc2cc(OC)c(OC)cc21
ir: 10 11 5 8 6 6 6 3 12 2 1 3 2 1 1 2 1 1 2 1 2 1 4 2 7 32 40 37 100 21 11 3 3 4 3 2 1 2 2 2 4 2 1 1 1 1 1 1 2 2 2 1 2 1 2 1 3 1 3 6 12 8 18 15 32 13 8 8 6 4 3 3 12 8 5 10 8 5 2 1 1 1 2 1 1 2 3 4 4 4 3 2 2 3 13 3 4 3 4 2 2 2 2 3 7 6 13 8 8 3 3 2 2 6 2 1 3 2 1 2 2 2 2 7 28 4 7 3 4 1 2 8 8 4 4 9 0 2 4 3 2 8 14 41 44 16 13 14 3 34 5 8 2 35 4 3 2 0 1 2 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 1 1 2 3 3 2 2 2 2 3 10 4 8 8 11 10 38 10 5 3 1 3 3 1 3 2 1 1 1 1 1 1 1 1 1 1 2 4 23 42 97 68 28 10 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 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 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 0 0 0 1; 1HNMR: 67 67 t 1H J 9 | 67 66 d 1H J 6 | 53 52 t 1H J 61 | 41 41 q 2H J 63 | 39 38 s 6H | 36 35 m 2H | 34 33 m 1H | 32 31 ddd 1H J 9 72 139 | 29 29 ddd 1H J 8 70 137 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCc2ccc(CC#N)cc2)ccc(C(C)=O)c1O
ir: 1 0 4 1 2 2 1 4 3 4 7 13 10 7 2 4 3 1 1 5 4 1 1 2 2 4 2 6 6 5 10 5 3 13 33 33 12 2 3 3 2 6 16 55 14 9 4 2 2 2 10 6 16 3 16 10 5 2 7 4 3 2 2 1 1 1 2 5 6 6 5 5 2 1 2 1 1 3 2 3 13 2 1 1 1 1 1 2 1 1 4 13 13 15 100 10 3 4 1 2 3 1 1 1 6 4 40 16 2 5 3 2 4 3 3 2 2 3 7 2 2 3 2 5 7 16 3 4 4 2 1 1 0 1 1 2 2 1 1 1 3 6 18 13 8 14 3 11 22 8 2 3 4 5 9 17 2 1 1 0 0 10 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 12 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 1 2 4 3 2 2 2 1 4 6 4 18 13 18 26 29 9 38 78 11 8 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 82 | 73 72 m 5H | 66 66 d 1H J 82 | 51 51 t 2H J 9 | 37 37 t 2H J 8 | 29 28 t 2H J 64 | 26 26 s 3H | 17 16 dtd 2H J 63 74 138 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CC(=O)c1ccnnc1
ir: 12 7 7 30 21 12 4 4 14 29 10 14 9 3 3 8 5 5 15 20 25 28 17 18 37 11 4 3 2 6 4 5 3 2 33 21 5 6 6 10 4 3 2 4 2 1 2 3 3 1 4 6 4 1 6 11 11 11 4 5 3 12 7 8 9 9 2 3 3 11 7 8 8 18 16 5 27 6 3 4 3 2 3 3 4 5 5 4 3 2 4 8 4 3 4 3 8 6 5 5 3 2 4 2 9 3 6 3 2 5 18 39 10 5 6 4 3 4 10 14 18 68 30 15 77 43 100 41 39 11 53 32 8 6 5 2 3 5 4 13 20 64 28 43 55 76 34 17 8 17 13 3 4 17 13 3 1 3 2 1 4 3 2 1 1 3 2 0 2 3 2 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 2 0 1 2 1 1 2 3 2 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 2 2 3 2 3 7 5 6 3 6 7 5 7 4 6 10 3 9 16 59 56 17 16 15 2 15 3 3 1 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 98 98 d 1H J 20 | 94 93 d 1H J 45 | 79 78 dd 1H J 18 46 | 43 43 s 2H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C[C@H](COS(=O)(=O)c1ccc(C)cc1)Oc1c(C=CC)ccc(Cl)c1-c1ccccc1C
ir: 4 6 5 4 4 4 6 4 5 16 8 12 9 7 3 3 2 3 3 2 1 3 3 3 9 3 2 2 3 2 4 13 4 4 8 7 4 4 2 7 9 3 16 4 3 11 3 2 2 4 12 3 10 41 13 7 2 3 2 2 3 4 5 22 31 9 14 40 10 31 8 5 6 7 6 5 4 5 1 1 8 34 7 10 100 10 5 4 47 4 9 5 0 14 24 3 2 2 7 4 7 3 4 2 1 2 4 4 1 3 3 2 1 4 3 3 2 3 5 4 4 4 4 8 11 6 5 4 2 3 2 2 1 2 2 3 11 15 6 4 5 5 2 3 2 2 9 10 6 4 4 6 3 7 2 2 1 2 2 2 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 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 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 2 2 2 2 2 2 2 2 4 3 9 4 7 4 12 10 27 30 40 17 7 8 5 5 4 3 4 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 14 78 | 77 76 td 1H J 11 74 | 76 76 m 2H | 75 74 m 2H | 74 73 m 2H | 73 72 td 1H J 14 75 | 72 72 d 1H J 84 | 68 67 dq 1H J 17 159 | 62 61 dq 1H J 67 159 | 60 59 dddt 1H J 9 80 111 166 | 55 54 dt 1H J 22 165 | 53 53 dt 1H J 23 112 | 51 50 dtd 1H J 23 51 101 | 44 43 ddd 1H J 9 51 125 | 42 41 ddd 1H J 8 51 125 | 24 24 d 3H J 7 | 24 24 d 3H J 10 | 19 19 dd 3H J 16 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)c1cc(-c2ccc(C=C3SC(N4CCOCC4)=NC3=O)s2)ccc1O
ir: 32 31 34 37 28 34 35 30 29 48 46 36 28 37 30 36 29 29 29 29 30 29 31 29 29 31 39 29 34 29 31 27 30 30 28 30 31 64 30 28 29 27 30 33 31 40 51 71 44 33 29 28 28 47 35 56 31 30 27 29 35 34 28 29 39 29 32 52 31 30 30 31 25 47 28 28 43 62 36 29 30 37 30 44 100 55 34 29 47 30 29 32 36 31 28 27 29 28 27 30 30 41 34 31 32 32 30 34 35 38 37 45 32 31 27 37 31 56 34 29 28 31 29 33 37 48 26 29 43 32 34 30 31 29 31 31 29 31 28 37 36 43 31 31 69 27 23 32 32 0 44 29 30 32 31 39 29 28 27 26 27 27 26 26 27 28 27 26 27 26 26 27 26 26 26 26 26 26 26 27 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 27 26 26 26 26 26 26 26 27 26 26 26 27 26 26 26 27 26 26 26 27 26 26 26 27 26 26 26 26 26 26 26 27 26 26 26 27 26 26 26 27 26 26 26 26 26 26 26 27 26 26 26 27 26 26 27 27 26 26 27 27 26 27 27 27 27 27 27 27 26 27 28 27 29 27 28 29 28 29 29 28 27 28 27 28 43 53 40 54 68 44 45 29 27 30 31 33 67 68 32 28 27 27 27 26 27 26 26 26 26 26 26 26 26 26 27 26 26 26 26 26 26 26 26 26 26 26 27 26 26 27 27 26 26 27 26 26 26 27 26 26 26 27 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26; 1HNMR: 79 79 s 1H | 77 76 d 1H J 65 | 75 75 dd 1H J 22 75 | 74 74 d 1H J 22 | 72 72 d 1H J 66 | 68 67 d 1H J 74 | 48 48 s 1H | 39 38 m 9H | 18 17 q 2H J 81 | 13 13 s 5H | 7 7 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(=O)Nc1ccc2ccccc2c1
ir: 2 2 2 3 4 5 4 2 4 10 31 24 5 9 6 9 19 35 34 63 37 71 43 28 7 13 5 7 3 3 4 6 13 6 12 8 13 8 6 6 7 22 11 7 7 6 4 6 6 11 10 20 14 33 42 51 8 9 4 13 19 10 3 6 1 0 2 6 8 10 9 4 1 5 9 6 8 18 34 40 37 18 5 23 28 7 6 2 3 5 2 3 4 2 3 11 16 12 8 6 6 7 22 6 6 2 2 2 2 6 1 2 2 5 0 2 2 2 2 2 2 7 6 9 5 5 7 5 1 3 3 2 2 4 22 14 6 4 2 7 15 27 58 25 28 100 43 58 16 14 4 3 3 4 28 5 6 17 24 2 2 3 1 1 1 1 2 6 26 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 2 7 7 2 2 2 4 3 6 6 13 12 26 63 39 32 7 2 4 5 4 2 19 25 14 4 2 1 2 1 2 1 2 3 9 10 31 28 21 9 4 4 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; 1HNMR: 99 99 s 1H | 82 82 t 1H J 22 | 80 79 d 1H J 82 | 79 78 m 1H | 78 77 dt 1H J 24 67 | 75 74 m 3H | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)C1CC(=O)N(Cc2ccccc2)C1
ir: 1 7 7 4 1 4 8 6 4 4 3 3 1 9 9 7 14 10 8 9 8 13 17 22 32 14 9 16 14 25 23 21 16 27 85 49 42 88 51 61 33 31 6 5 5 5 6 4 5 5 2 2 2 1 2 2 11 20 9 4 1 2 5 2 2 7 2 18 11 17 4 3 1 2 2 4 1 3 10 3 1 1 1 3 3 4 3 3 4 17 4 4 1 2 4 6 4 7 17 12 7 2 3 2 3 9 9 6 2 4 1 8 37 16 3 4 19 15 19 21 6 13 26 23 27 7 5 1 4 10 7 9 9 7 22 26 9 4 4 2 2 12 18 32 26 53 55 100 29 37 19 9 18 2 2 3 2 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 0 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 2 1 1 1 1 2 3 5 2 7 5 3 1 5 4 4 9 17 13 16 18 33 13 5 3 3 3 4 4 3 2 2 1 1 1 2 5 2 1 2 3 3 22 28 40 25 13 12 7 4 2 2 1 3 2 1 1 1 1 0 0 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 1 0 1 1 1 0; 1HNMR: 74 72 m 5H | 67 66 t 1H J 51 | 46 45 dt 1H J 10 126 | 45 44 dt 1H J 8 126 | 39 38 dd 1H J 38 121 | 36 35 dd 1H J 38 121 | 32 30 m 3H | 28 27 dd 1H J 55 156 | 25 25 dd 1H J 55 158 | 16 15 m 2H | 9 8 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C#Cc2ccnc(Cl)c2)cn1CC1CCC1
ir: 4 2 0 3 4 2 1 3 5 5 3 3 5 2 1 5 4 5 4 10 3 3 2 4 3 2 2 3 4 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 7 5 3 5 5 11 7 3 3 5 3 3 3 3 8 10 42 1 9 15 9 10 5 6 2 4 12 28 37 7 25 8 2 3 11 3 5 15 27 12 4 2 4 5 5 4 13 13 16 9 6 5 14 6 14 17 42 100 22 28 14 18 18 20 11 3 6 13 17 15 11 6 9 8 12 11 5 15 6 4 5 6 6 5 7 31 8 31 18 19 19 12 16 5 10 15 5 5 3 2 1 3 3 1 24 3 3 0 1 3 2 0 1 3 2 0 2 12 6 0 2 4 2 1 9 15 6 1 2 3 2 3 28 5 2 0 2 3 2 0 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 6 1 2 3 2 1 2 3 2 0 2 3 2 1 2 4 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 4 1 1 3 3 1 1 2 3 2 2 3 3 2 1 3 3 1 1 3 3 2 2 4 3 7 8 8 5 2 3 10 15 16 19 17 14 17 31 12 57 31 78 75 28 37 9 16 7 1 4 3 4 3 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 83 d 1H J 42 | 74 74 d 1H J 21 | 73 73 dd 1H J 21 41 | 68 67 t 1H J 9 | 41 40 dd 2H J 7 51 | 24 24 s 2H | 21 20 hept 1H J 51 | 19 17 m 5H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc2c(c1)c(C(=O)OCC)cn2C
ir: 2 8 2 3 6 3 21 6 5 4 1 3 7 3 0 3 4 2 1 6 12 100 11 8 3 2 2 4 3 2 2 3 7 3 3 4 3 2 2 3 3 1 2 3 2 1 2 3 2 1 3 4 3 13 21 9 3 0 2 4 2 2 4 4 4 6 20 38 21 8 7 13 18 4 7 13 13 2 5 5 1 1 3 8 2 1 3 4 1 3 9 5 0 5 35 12 3 3 9 9 5 10 9 5 18 9 5 2 0 3 5 3 1 10 7 9 19 26 5 3 1 4 8 5 2 5 4 8 5 3 2 10 10 4 3 2 2 3 5 8 7 2 3 91 2 12 6 9 2 5 4 1 18 6 4 4 2 5 7 0 2 4 2 1 3 6 4 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 3 4 3 1 3 4 4 2 3 4 17 3 4 14 22 11 15 22 23 17 24 22 22 8 6 5 3 2 3 3 2 2 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 84 d 1H J 20 | 78 78 s 1H | 75 74 m 2H | 69 68 dd 1H J 109 162 | 57 57 dd 1H J 27 108 | 56 56 dd 1H J 26 162 | 44 43 q 2H J 64 | 38 37 s 3H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NN2C=c3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3=NC2)cc1
ir: 2 3 1 2 4 6 10 4 3 8 12 16 14 9 2 4 2 2 3 10 12 1 5 3 5 3 4 5 6 7 3 4 4 5 3 2 5 7 6 8 5 9 5 3 6 10 100 67 35 5 6 1 7 18 65 26 39 16 5 5 3 2 6 4 2 1 3 6 4 18 3 3 2 10 6 3 3 5 9 3 1 3 2 2 10 9 3 3 2 3 4 6 3 3 8 4 3 8 14 6 1 5 4 20 27 45 15 12 5 10 5 14 14 2 1 1 1 2 2 2 1 1 1 1 3 10 8 4 2 3 9 2 0 1 4 2 4 22 10 19 15 5 3 1 1 3 2 7 35 7 19 11 25 41 78 16 5 3 1 1 1 1 1 4 2 1 1 13 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 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 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 2 2 4 8 3 31 48 37 14 8 4 3 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 3 7 7 28 39 25 10 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 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 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 d 1H J 13 | 80 80 dd 1H J 8 15 | 75 75 d 2H J 81 | 74 73 dd 1H J 78 87 | 71 71 m 2H | 69 68 m 2H | 48 48 d 2H J 10 | 34 34 s 3H | 24 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(O)(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)cc2)CC1
ir: 6 13 11 6 5 8 5 8 0 11 8 10 11 13 15 26 24 27 17 28 30 27 30 8 18 20 18 8 13 17 27 17 8 17 7 4 47 22 9 5 9 4 4 5 4 19 10 4 2 2 3 2 2 6 6 17 21 6 4 7 2 8 3 2 5 11 6 2 6 3 2 4 24 41 13 8 5 5 8 9 6 44 6 3 4 3 8 16 6 19 23 44 37 14 16 6 13 16 12 6 5 4 3 3 2 5 10 9 12 9 10 5 4 4 4 9 5 5 12 9 11 4 7 10 13 9 20 14 4 11 21 14 9 7 23 55 31 23 11 9 9 31 6 4 6 4 9 65 36 17 15 100 8 10 5 7 23 6 6 7 3 3 2 6 9 2 2 2 1 2 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 2 2 1 2 2 2 2 2 2 3 4 3 3 3 4 3 3 2 5 8 23 11 15 40 16 66 8 3 3 5 21 5 9 3 4 4 3 2 6 12 17 28 19 27 11 13 10 18 70 98 16 6 3 3 2 2 2 2 2 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 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 84 d 1H J 48 | 78 77 m 2H | 74 74 m 2H | 73 73 d 1H J 48 | 55 54 d 1H J 60 | 42 41 h 1H J 55 | 34 34 s 1H | 28 28 ddd 2H J 37 64 123 | 27 26 ddd 2H J 37 64 121 | 23 23 m 2H | 23 23 s 4H | 20 19 m 5H | 17 17 dd 2H J 55 136 | 15 15 s 1H | 13 13 s 5H | 12 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc2ccc(OS(=O)(=O)C(F)(F)F)cc12
ir: 5 5 13 12 25 7 9 14 11 3 7 22 6 6 11 10 13 13 9 3 1 2 3 24 12 34 23 9 3 7 6 24 8 33 17 8 27 1 3 6 2 0 3 17 23 6 2 5 10 14 9 5 9 3 11 24 31 12 5 3 7 8 3 3 3 2 2 6 13 52 66 12 15 11 7 2 4 3 4 7 4 4 3 3 19 72 78 5 7 3 0 1 2 3 6 5 4 10 5 3 2 3 6 3 3 1 7 8 8 4 3 4 3 6 8 1 5 3 2 1 2 1 2 3 2 1 1 2 3 2 1 2 3 2 2 3 2 2 4 4 4 3 5 10 39 41 69 100 19 39 26 8 6 26 15 7 5 6 16 2 11 2 1 1 1 0 2 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 2 1 1 2 3 2 2 4 4 4 6 11 14 15 81 99 26 7 4 5 2 2 1 2 2 2 1 1 3 1 2 6 3 3 5 9 18 16 28 12 16 11 4 3 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 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 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 93 s 1H | 79 79 d 1H J 83 | 78 78 m 2H | 75 75 m 1H | 74 73 dd 1H J 27 82 | 73 73 t 1H J 78 | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1
ir: 7 5 4 6 0 5 7 3 6 7 9 8 14 8 6 3 4 5 4 2 4 4 4 3 5 4 3 5 2 3 3 3 6 3 3 2 3 5 4 9 8 9 5 3 5 2 3 6 9 2 9 7 14 16 58 7 4 2 4 10 11 8 5 6 19 9 11 12 10 68 26 44 28 44 16 27 17 14 5 1 8 12 5 20 18 12 17 17 27 14 14 6 5 10 4 10 19 18 5 3 10 15 31 31 13 13 7 10 8 6 12 8 13 9 11 15 17 30 28 24 39 23 18 17 8 11 31 43 20 11 19 7 5 2 1 5 10 11 13 8 3 4 4 3 8 16 4 3 5 6 34 10 12 6 6 5 2 1 2 2 2 1 2 3 5 8 10 8 2 1 2 3 3 15 87 7 2 1 2 3 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 2 2 2 1 2 3 1 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 1 4 2 2 2 3 4 3 4 8 13 6 5 7 4 4 8 24 21 3 27 36 48 20 60 59 100 68 93 22 16 10 5 1 5 5 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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: 80 80 d 1H J 48 | 78 78 m 2H | 73 72 m 2H | 71 71 d 1H J 8 | 66 66 d 1H J 48 | 50 49 t 1H J 65 | 48 48 dd 1H J 8 131 | 47 47 dd 1H J 8 131 | 40 40 s 2H | 39 38 s 2H | 29 28 dtd 1H J 53 63 115 | 25 24 ddd 1H J 53 65 119 | 24 23 t 3H J 8 | 23 22 ddd 1H J 53 66 119 | 11 11 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(C(=O)O)c1cccc(OCc2ccccc2)c1)C1CCC1
ir: 1 3 2 1 0 2 2 3 3 10 23 17 16 10 15 21 5 14 22 73 57 55 32 14 26 43 26 16 23 30 17 33 23 8 8 33 68 20 15 60 71 28 5 3 12 13 13 37 7 5 4 12 9 4 5 4 6 2 3 5 3 4 4 7 6 9 9 9 25 14 8 5 6 3 8 10 10 10 46 90 7 11 12 11 9 11 8 7 10 33 39 8 5 2 8 3 3 7 17 5 8 10 6 3 3 2 7 2 1 2 3 3 1 4 4 8 12 6 12 5 14 40 32 21 8 4 6 4 6 17 4 3 4 4 18 26 11 4 4 16 21 19 30 90 69 50 38 11 4 6 4 10 15 1 6 10 2 2 1 1 1 26 2 1 1 1 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 1 0 1 0 0 0 0 0 1 1 1 1 2 1 1 2 8 5 5 4 9 6 15 9 16 23 96 73 11 4 4 4 1 3 9 29 100 11 3 1 2 3 2 1 1 5 4 4 7 8 43 38 18 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 74 74 dq 2H J 10 65 | 74 73 m 4H | 73 72 m 2H | 70 70 q 1H J 10 | 69 69 dt 1H J 11 79 | 53 52 dd 1H J 9 88 | 51 50 t 2H J 9 | 25 24 m 1H | 21 20 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cnn(-c2ccc(I)cc2)c1
ir: 1 20 4 2 2 2 3 3 4 9 7 19 4 11 13 6 15 9 2 2 1 2 2 3 4 7 33 4 4 1 2 2 2 1 3 2 1 1 1 2 1 1 1 2 1 0 1 2 2 6 7 19 8 12 43 19 9 59 9 30 15 5 7 4 8 5 15 17 17 29 33 23 8 11 4 4 3 6 2 3 8 7 36 2 2 3 2 1 4 2 7 3 3 1 6 8 6 3 0 1 3 2 1 1 2 1 0 1 3 1 1 1 2 2 1 2 2 3 4 8 40 14 20 13 9 10 4 25 45 29 28 20 86 69 19 28 5 15 7 3 4 2 2 3 5 100 15 14 7 6 8 8 15 3 2 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 0 1 1 1 2 2 2 2 1 3 12 30 46 11 8 39 24 24 4 4 3 5 9 4 6 10 16 21 75 9 7 10 7 13 55 38 10 7 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 3H | 77 76 m 1H | 76 75 m 2H | 40 40 tt 2H J 9 62 | 21 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1nnc2ccc(Nc3cccc(Cl)c3)nn12
ir: 7 6 4 7 9 6 7 10 14 17 4 10 12 7 4 6 6 6 7 11 8 7 5 8 13 7 56 11 21 12 10 5 6 6 5 5 6 6 5 6 6 5 5 6 5 8 12 51 15 6 9 8 7 4 6 6 6 9 19 27 13 8 5 7 7 6 6 15 13 12 7 6 8 7 6 9 8 8 5 7 5 6 6 5 5 5 5 7 27 8 6 10 8 6 5 8 10 6 16 14 10 8 6 6 6 13 49 10 7 6 5 6 6 7 10 8 8 8 9 8 10 12 10 6 17 13 8 12 10 6 4 5 6 9 18 30 8 10 9 8 9 12 15 20 38 29 28 7 7 7 7 7 16 10 6 14 59 19 8 0 6 19 12 92 20 2 5 8 5 3 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 5 5 5 4 4 5 5 4 5 5 5 5 4 4 4 4 5 4 5 4 5 5 5 5 5 4 5 4 5 5 5 5 5 5 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 7 7 11 6 5 7 7 7 7 8 9 13 12 25 46 17 36 8 4 7 11 5 6 6 6 5 5 6 5 4 5 5 7 7 7 9 10 45 100 92 23 14 7 4 5 6 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 4 5 4 4 5 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 88 88 s 1H | 78 78 d 1H J 93 | 75 74 t 1H J 21 | 74 74 d 1H J 92 | 74 73 ddd 1H J 13 21 80 | 73 72 t 1H J 79 | 72 71 ddd 1H J 13 22 77 | 42 41 q 2H J 66 | 38 37 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.
O=CN1CCN(S(=O)(=O)CCl)CC1
ir: 13 10 9 17 14 38 44 3 5 5 5 3 2 2 2 3 2 2 3 2 1 2 2 1 1 2 2 3 1 2 2 2 2 2 4 11 3 3 3 2 6 3 2 1 3 6 8 4 2 2 2 1 2 2 2 2 7 2 3 4 2 3 2 2 3 3 4 9 54 7 8 3 3 2 2 3 2 3 5 53 22 3 10 34 4 6 14 7 13 67 2 2 6 4 2 2 4 4 10 10 10 16 100 55 21 11 7 10 8 3 3 3 3 5 5 6 4 5 5 8 3 2 2 2 2 2 1 3 2 4 3 2 2 2 4 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 24 5 3 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 3 4 3 2 3 4 4 2 2 3 6 60 13 4 0 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 p 1H J 9 | 48 48 s 2H | 37 37 m 4H | 34 34 dd 4H J 53 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
ir: 0 0 1 1 0 1 1 1 0 1 1 1 4 9 5 2 14 8 3 2 7 15 69 39 4 0 1 3 2 0 0 1 1 0 0 3 2 1 32 15 1 1 1 2 1 0 1 1 1 1 8 10 7 1 1 2 1 0 1 1 1 0 1 2 2 0 1 2 2 1 1 4 10 5 1 1 1 4 43 3 3 10 2 1 1 1 6 6 4 3 1 1 1 1 1 1 2 3 5 1 0 0 1 1 0 1 3 3 14 1 1 12 3 2 1 1 1 4 1 1 1 1 3 3 2 1 1 0 0 1 0 0 1 1 2 1 1 3 16 4 1 1 1 1 1 10 10 33 15 5 100 1 0 1 1 0 0 4 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 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 1 1 1 1 0 0 0 1 0 0 0 1 1 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 1 1 1 1 1 0 0 1 1 0 0 1 3 0 1 1 3 4 3 1 0 0 2 2 5 88 9 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 s 1H | 39 38 m 4H | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(cc1C(C)=C(F)C=CC(C)=CC(=O)O)C(C(C)C)=CC(C)(C)O2
ir: 2 1 1 2 7 3 1 1 2 1 2 6 4 7 6 2 2 2 2 3 3 15 100 86 12 6 4 3 2 2 1 2 1 2 1 3 1 1 1 3 2 1 2 5 1 1 1 2 1 1 1 1 1 2 2 2 4 2 4 1 1 2 5 5 4 17 9 10 7 7 3 7 8 9 5 16 16 28 38 7 4 2 1 1 2 1 1 2 2 3 1 1 2 2 3 2 2 2 2 1 5 7 7 6 3 3 18 4 4 3 7 4 7 5 4 5 4 3 4 5 4 4 3 2 3 4 6 3 6 4 4 6 3 6 3 2 2 1 2 2 2 2 3 2 3 15 4 1 1 2 10 2 3 12 23 3 4 42 2 2 2 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 1 1 1 2 1 3 2 2 3 5 10 17 25 27 21 8 10 11 1 3 2 1 0 14 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; 1HNMR: 73 72 m 1H | 73 72 s 1H | 68 66 ddq 1H J 10 159 231 | 64 64 s 1H | 58 57 p 1H J 13 | 57 57 h 1H J 9 | 42 41 q 2H J 63 | 31 30 pd 1H J 9 64 | 25 24 dd 3H J 9 37 | 21 21 t 3H J 12 | 16 15 t 3H J 63 | 15 14 d 6H J 9 | 11 11 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccn1
ir: 3 2 2 3 6 3 1 3 3 1 0 2 3 1 0 2 3 1 1 4 2 1 1 2 2 2 2 5 4 3 6 4 3 3 5 11 13 100 33 17 10 2 2 7 3 5 22 10 21 3 6 6 3 9 4 11 5 2 3 2 2 0 2 4 5 3 7 7 6 9 3 3 1 1 2 2 1 1 3 5 3 3 5 4 1 1 2 2 0 1 2 2 1 10 5 2 0 4 7 4 3 2 4 5 1 2 3 2 1 1 3 1 0 1 3 2 1 1 3 1 1 2 3 1 0 2 3 3 5 6 21 35 4 4 3 9 10 11 3 2 3 3 7 23 7 14 9 4 4 3 3 2 3 20 13 3 5 9 7 2 2 3 4 16 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 3 4 13 51 28 6 3 4 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 2 5 8 33 30 20 7 3 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 95 95 s 2H | 86 86 dd 2H J 18 42 | 83 83 dd 2H J 13 78 | 79 79 td 2H J 17 75 | 74 74 m 5H | 72 72 t 1H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(SC(F)(F)C(F)(F)F)cc1Cl
ir: 9 10 10 8 7 9 12 8 8 11 11 8 8 11 16 9 7 9 10 12 17 19 11 8 7 10 10 9 7 14 10 7 7 10 9 8 10 29 11 8 9 11 9 8 9 9 16 56 15 12 13 9 10 15 66 66 100 86 59 4 12 15 9 4 9 14 27 28 12 12 8 9 10 11 9 7 10 12 9 13 10 24 35 52 11 14 11 8 9 13 11 9 12 9 7 8 12 9 7 8 11 8 7 21 13 12 11 8 11 10 7 8 12 8 6 8 10 10 7 11 11 8 7 8 12 9 9 8 11 12 9 10 9 15 9 8 8 10 27 14 39 27 9 19 8 10 10 12 23 13 13 78 71 96 15 0 8 60 5 21 23 2 7 15 9 3 8 12 8 4 8 12 8 4 8 11 8 5 9 10 7 5 8 10 7 6 9 10 7 6 9 10 7 6 9 9 7 7 9 9 7 7 9 9 6 7 9 9 6 7 9 9 7 7 9 8 6 7 10 8 6 8 10 8 6 8 10 8 6 8 10 8 6 8 10 8 6 8 9 8 6 8 9 7 6 8 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 8 7 7 9 8 7 8 9 9 6 8 10 9 7 9 11 10 8 13 21 31 88 31 16 18 12 10 10 8 7 9 11 8 7 12 12 9 7 9 13 14 8 15 14 12 25 55 28 11 8 11 10 8 8 10 10 7 7 9 9 7 7 9 8 7 8 9 8 7 8 9 8 7 8 9 8 6 8 9 8 7 8 9 8 7 8 9 8 7 8 9 7 7 8 9 7 7 8 9 7 7 8 9 7 7 9 9 7 7 9 8 7 7 9 8 7 7 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9; 1HNMR: 76 75 m 3H | 74 74 d 1H J 21 | 73 73 d 1H J 68 | 72 71 m 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3c(Cl)ccc4ccoc34)ncnc2cc1OCCN1CCCC1
ir: 1 2 3 1 2 2 1 1 2 4 4 2 2 2 2 1 2 2 2 8 8 6 10 14 19 7 11 2 7 14 5 5 1 8 3 9 4 1 1 2 3 8 3 4 2 2 1 0 1 13 24 3 9 11 11 2 1 6 1 1 1 1 5 4 2 2 4 8 10 9 5 8 2 2 1 1 1 4 26 5 1 2 2 10 3 2 1 2 1 1 1 4 3 5 4 2 2 9 26 4 1 1 4 2 2 2 3 2 4 9 2 9 3 2 1 1 1 3 2 2 2 1 0 1 2 3 4 1 2 1 0 1 1 3 3 2 23 4 1 2 4 3 8 18 14 5 3 3 12 13 2 1 10 1 0 13 5 1 100 2 11 2 1 1 1 0 1 13 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 3 3 20 31 13 3 11 3 2 0 0 0 1 1 0 1 1 0 0 1 1 1 2 1 3 13 12 18 37 37 2 2 1 1 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; 1HNMR: 87 86 s 1H | 84 84 s 1H | 78 78 d 1H J 18 | 77 76 s 1H | 76 75 dt 1H J 8 84 | 73 73 m 2H | 70 69 t 1H J 14 | 42 42 t 2H J 60 | 39 38 s 2H | 32 31 m 4H | 30 30 t 2H J 59 | 20 19 p 4H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1COc2cc(C(=O)OC)ccc2CN1C
ir: 27 16 22 11 7 14 24 15 5 15 10 4 5 13 9 1 1 5 11 26 34 57 41 14 10 17 5 4 3 2 3 1 1 0 1 0 11 2 1 2 7 10 2 2 2 1 3 1 2 4 3 10 4 0 10 27 23 19 5 3 7 23 9 9 4 5 3 12 21 39 33 12 4 2 9 22 16 8 7 14 5 6 18 16 19 3 2 4 10 9 10 27 30 17 5 16 8 16 18 20 5 2 12 12 4 3 1 0 1 0 1 1 1 3 9 64 34 63 40 10 5 4 5 29 42 17 4 6 2 2 6 10 3 3 1 2 3 1 1 1 1 2 5 35 29 64 95 0 1 2 12 16 4 2 1 0 1 1 1 1 1 1 4 5 1 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 1 1 1 1 2 1 2 3 4 2 2 4 2 2 3 4 9 19 19 58 35 87 100 8 4 8 5 4 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 20 88 | 74 73 d 1H J 20 | 72 71 dt 1H J 9 88 | 42 41 dd 1H J 61 105 | 41 40 dd 1H J 9 137 | 39 39 m 2H | 39 39 s 2H | 29 28 m 1H | 24 23 d 3H J 14 | 17 16 dp 1H J 72 117 | 15 14 dp 1H J 72 119 | 9 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(C#Cc2ccc(C(C)(C)CCC(C)C)cc2)nc1
ir: 10 14 22 11 18 7 2 6 6 6 5 10 4 2 2 3 3 6 2 4 4 1 1 2 3 1 1 8 9 8 2 3 10 15 17 29 15 4 4 3 2 4 3 3 3 4 6 24 5 0 3 4 7 4 16 25 19 12 10 3 9 3 7 6 5 2 4 4 5 16 41 18 3 5 3 6 8 4 3 18 7 2 3 2 1 1 2 6 5 5 20 5 3 3 3 3 1 1 2 2 1 4 7 27 3 2 6 3 2 3 5 8 7 14 17 12 20 23 7 12 4 9 5 6 9 15 9 6 5 5 17 7 4 10 7 77 38 4 3 2 2 2 7 43 7 5 4 5 13 24 22 100 42 21 29 14 4 2 2 3 8 26 14 2 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 51 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 5 7 2 1 2 4 4 2 3 4 4 2 10 25 43 11 35 92 31 15 5 9 4 2 3 2 2 2 2 2 1 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0; 1HNMR: 89 89 d 1H J 19 | 82 81 dd 1H J 19 78 | 76 76 d 1H J 78 | 74 73 m 2H | 73 72 m 2H | 44 43 q 2H J 64 | 17 16 t 2H J 90 | 16 15 dq 1H J 62 125 | 14 14 t 3H J 64 | 13 12 m 2H | 13 13 s 7H | 9 8 d 5H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCCO)nc1
ir: 2 2 5 5 9 3 5 2 1 2 10 2 3 3 5 3 3 1 3 3 9 7 3 2 3 2 4 5 4 3 1 5 11 19 40 13 7 6 8 2 17 6 17 18 8 3 6 2 2 2 2 3 4 2 23 13 5 2 2 2 1 2 1 3 3 3 3 7 10 15 17 3 2 2 1 1 0 1 3 2 1 3 2 2 3 9 11 23 26 17 10 9 6 3 10 7 4 3 4 2 1 1 2 6 6 1 2 1 1 1 1 4 0 2 3 4 2 2 1 3 6 5 4 4 3 8 28 7 5 5 14 26 4 2 2 4 6 3 15 22 9 3 10 40 100 11 12 4 3 1 6 4 9 5 5 2 1 2 9 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 0 1 1 3 6 6 9 11 35 30 8 2 1 3 4 2 8 4 1 2 2 1 2 2 4 2 1 2 1 4 3 6 10 28 19 10 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dd 1H J 16 40 | 83 83 d 1H J 19 | 80 79 dd 1H J 13 83 | 79 79 d 1H J 83 | 78 77 ddd 1H J 16 71 84 | 77 76 t 1H J 60 | 73 73 m 2H | 56 55 s 2H | 54 54 t 1H J 57 | 36 36 dt 2H J 47 57 | 34 33 dt 2H J 47 61 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncsc1N
ir: 1 1 1 2 1 1 1 1 1 1 1 1 0 1 2 1 2 1 0 0 1 1 1 1 0 1 1 3 1 3 1 0 1 1 2 1 1 1 1 0 1 1 0 0 0 1 1 1 2 3 3 2 1 1 1 0 1 3 5 13 5 2 3 2 2 1 2 4 3 3 4 8 13 16 12 4 1 1 3 6 4 5 3 2 2 2 1 2 1 2 1 4 2 8 3 5 2 2 2 2 3 4 2 2 1 2 2 2 2 2 2 2 4 2 2 4 5 3 0 2 1 2 1 2 2 10 12 17 9 9 1 2 3 4 2 3 3 3 2 1 2 1 3 6 5 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 5 8 1 2 3 3 6 2 3 5 17 12 2 1 4 17 10 6 1 25 53 100 7 1 0 1 2 1 1 3 6 11 6 5 3 2 1 1 1 1 1 2 1 1 0 1 1 0 0 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; 1HNMR: 85 85 s 1H | 63 62 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1
ir: 1 1 1 1 1 1 2 1 0 1 1 2 1 1 1 2 3 11 5 4 3 17 8 2 1 3 5 2 2 0 0 2 2 7 14 7 8 37 19 8 4 7 5 5 5 2 2 3 9 9 6 4 8 5 12 5 67 5 5 3 5 1 1 1 2 1 1 0 2 11 1 2 2 0 1 1 1 1 1 0 0 0 1 1 0 1 1 13 3 1 1 1 0 1 0 0 1 1 2 2 3 6 3 1 2 3 7 7 2 9 5 10 3 4 4 2 2 4 3 6 2 14 5 3 24 13 9 7 5 2 19 8 3 2 3 2 6 8 7 7 16 72 29 19 6 2 1 4 16 21 42 5 4 1 2 1 3 1 1 1 0 1 13 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 4 2 2 2 2 1 2 3 2 4 8 11 15 38 100 40 11 3 6 2 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 4H | 72 71 m 4H | 30 29 m 4H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNc1ccc(OC)nc1NCCN1CCC(NC(=O)OC(C)(C)C)CC1
ir: 1 7 11 9 5 4 6 3 6 10 8 10 20 8 10 23 7 5 6 12 21 9 2 5 4 11 22 27 40 19 8 8 10 8 3 2 3 4 7 5 13 6 3 3 3 3 1 2 2 1 3 4 12 20 7 3 2 4 4 3 2 2 3 3 1 3 4 4 4 2 2 1 4 2 2 2 3 2 1 1 2 3 6 1 3 3 1 1 1 2 4 2 1 2 5 2 3 5 6 9 3 2 3 2 1 1 3 3 5 5 3 4 7 7 16 4 5 4 7 6 6 7 44 13 7 7 14 9 9 10 7 14 3 5 8 3 7 11 8 10 15 82 8 15 70 6 5 4 6 28 60 11 5 3 5 6 2 1 2 3 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 2 3 2 1 2 1 2 1 1 5 4 2 18 11 3 10 7 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 3 3 12 11 7 10 71 100 62 17 5 6 3 4 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 72 71 d 1H J 86 | 69 68 t 1H J 62 | 65 64 t 1H J 42 | 63 63 d 1H J 86 | 45 44 d 1H J 71 | 42 41 m 4H | 40 39 s 2H | 37 36 m 3H | 29 28 m 4H | 28 27 ddd 2H J 58 84 126 | 20 19 dddd 2H J 46 59 84 130 | 17 16 dddd 2H J 44 57 84 128 | 14 14 s 7H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2cc3ccccc3c(-c3ccc(Cl)cc3)n2)n[nH]1
ir: 1 1 3 2 0 0 2 1 2 2 0 1 0 1 1 2 2 1 4 13 3 1 1 2 2 2 2 0 1 2 2 7 18 18 7 2 1 6 1 1 3 2 3 7 1 1 2 2 20 75 3 2 5 28 8 18 2 3 1 0 2 2 1 0 1 1 5 3 22 4 3 1 3 2 6 13 2 1 1 1 0 0 1 1 2 1 0 0 0 1 0 3 1 0 1 1 1 5 26 4 6 2 2 4 1 1 0 1 2 14 1 1 0 1 0 4 2 1 0 1 1 20 2 1 3 1 2 1 1 1 2 2 7 2 3 2 1 0 1 1 2 12 1 4 2 37 23 4 2 2 5 2 2 4 19 6 1 2 1 85 6 9 1 1 0 1 1 43 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 2 4 9 21 47 17 5 5 3 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 5 7 100 42 11 3 10 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 80 80 m 1H | 80 80 d 1H J 22 | 78 78 s 1H | 78 77 m 1H | 77 77 m 2H | 76 75 ddd 1H J 12 71 85 | 75 74 m 3H | 58 58 s 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
ir: 3 3 2 3 5 2 1 3 2 4 3 3 5 3 5 4 8 5 3 5 4 4 3 3 4 5 2 4 7 4 2 3 3 4 3 4 7 6 3 4 2 2 2 3 2 2 2 3 3 0 3 6 9 9 12 25 11 5 5 1 2 2 2 3 7 2 2 5 14 3 2 3 1 5 5 4 3 2 2 1 1 1 2 3 2 1 5 2 1 2 2 2 2 13 9 4 3 2 6 10 4 1 2 2 1 2 2 2 3 4 2 3 2 14 5 4 4 5 5 3 4 4 3 4 4 7 18 13 3 3 3 2 2 3 3 5 23 25 32 18 11 7 7 2 2 6 8 12 10 5 3 3 12 5 3 3 2 2 2 1 1 2 2 3 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 2 1 2 2 3 6 2 3 5 8 8 69 15 3 6 5 3 1 2 3 1 1 2 2 1 1 2 3 1 1 2 4 5 3 6 21 100 25 6 4 3 2 4 3 1 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 83 dq 1H J 13 25 | 77 76 ddq 1H J 13 25 61 | 74 74 m 4H | 73 72 m 4H | 71 71 d 1H J 74 | 56 55 d 1H J 71 | 53 52 m 1H | 52 51 dd 1H J 9 64 | 43 42 q 2H J 63 | 15 15 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCOc1cc(F)cc2c1OCCC2
ir: 2 1 1 1 2 1 0 1 1 1 0 0 1 1 1 7 4 1 1 1 1 4 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 3 2 2 2 5 8 7 8 5 4 4 5 6 9 51 36 8 5 4 7 2 2 3 3 7 6 4 37 37 36 32 17 8 10 17 63 20 5 6 3 6 2 4 5 16 7 1 1 2 2 1 1 2 1 0 2 12 3 3 5 10 2 0 0 1 3 1 1 1 1 3 2 3 6 2 1 3 1 2 3 2 2 8 2 3 4 5 2 2 3 7 10 2 14 6 52 100 68 8 6 6 2 3 3 1 2 0 2 1 4 2 1 1 1 0 1 1 11 5 1 0 1 2 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 3 3 1 1 1 2 1 1 1 6 4 4 7 23 20 3 2 2 1 1 2 2 2 1 6 8 7 29 29 8 6 6 3 13 25 45 42 3 13 4 2 2 2 2 1 1 1 1 0 0 1 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 67 66 ddt 1H J 8 19 121 | 66 66 dd 1H J 22 121 | 42 41 m 4H | 32 31 tt 2H J 41 70 | 29 28 m 2H | 20 20 m 2H | 18 17 t 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc3c(n2)N(C(=O)NCc2cccnc2)[C@H]2CCN3C2)ccn1
ir: 3 2 5 5 5 1 2 2 6 2 4 5 5 3 3 4 4 5 5 15 16 4 3 4 8 17 5 2 5 4 10 13 4 93 10 9 6 10 11 4 6 15 85 24 8 7 5 3 2 6 3 0 7 81 9 9 5 2 2 2 39 11 14 16 8 4 2 5 4 5 11 19 4 10 5 4 3 21 5 15 5 2 1 2 12 2 4 2 1 8 8 3 10 3 1 1 3 3 6 5 2 2 8 3 2 1 1 2 4 3 10 28 71 15 8 7 8 6 6 11 6 10 11 20 16 4 3 3 8 3 2 1 7 2 1 2 4 12 69 100 33 4 7 3 8 16 85 19 15 2 6 14 61 15 81 7 5 7 17 53 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 1 0 1 1 1 0 0 1 0 0 1 0 1 1 0 0 0 0 0 1 1 0 1 1 2 1 1 1 1 2 3 4 3 2 4 3 3 4 5 12 13 7 19 51 22 5 4 3 1 1 1 2 1 1 1 1 1 1 1 2 3 5 7 3 1 10 7 15 14 10 3 3 3 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 87 86 dq 1H J 11 21 | 85 84 m 2H | 84 84 d 1H J 21 | 78 78 d 1H J 82 | 78 77 dddd 1H J 7 19 29 77 | 77 76 dd 1H J 21 50 | 73 72 m 2H | 70 69 t 1H J 65 | 48 47 dddt 1H J 20 31 40 51 | 46 46 dt 2H J 10 66 | 39 39 m 1H | 38 37 ddd 1H J 46 64 117 | 37 36 m 2H | 26 26 s 3H | 24 23 m 1H | 22 21 ddt 1H J 48 64 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccc(C#N)c(C(F)(F)F)c1)C1C(O)C(c2c[nH]cn2)=CCC1(C)C
ir: 2 1 4 3 2 2 2 2 1 2 4 2 1 2 2 4 2 3 2 2 2 2 3 2 1 2 2 11 3 11 3 2 1 4 2 1 4 25 25 6 2 2 2 2 2 2 2 2 14 4 2 2 2 2 7 11 35 4 3 4 4 3 5 19 4 13 19 8 11 10 5 3 3 20 4 1 4 3 8 3 8 15 4 3 18 5 8 28 15 12 13 5 7 3 2 2 6 6 0 88 15 7 3 4 9 4 12 6 3 30 13 7 3 14 5 12 8 10 14 9 7 13 7 8 7 11 4 5 8 7 4 4 3 19 8 5 4 2 2 3 3 3 2 5 2 2 2 2 2 2 21 3 3 1 5 9 2 1 2 2 2 1 2 6 4 1 2 3 2 1 3 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 4 7 3 3 3 3 4 4 4 2 8 4 7 36 38 16 25 13 16 44 10 3 3 4 5 100 3 5 8 24 4 3 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 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 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 1 1 2; 1HNMR: 86 85 dd 1H J 49 60 | 79 78 m 2H | 74 74 dd 1H J 16 49 | 72 72 dq 1H J 9 19 | 68 68 dd 1H J 21 78 | 64 63 td 1H J 20 55 | 51 50 dddt 1H J 10 22 48 89 | 40 39 m 2H | 30 30 d 3H J 15 | 24 23 ddd 1H J 10 56 154 | 21 20 ddd 1H J 10 57 154 | 11 10 d 3H J 15 | 10 10 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(N)Nc1nc(CSCCN)ns1
ir: 4 2 3 3 4 7 0 11 17 21 29 24 17 10 15 14 11 8 15 27 23 13 10 9 5 4 4 4 7 2 3 3 5 3 2 2 2 3 2 4 6 9 5 2 3 3 6 11 6 16 5 5 12 13 6 3 3 16 4 2 2 2 2 2 2 1 3 4 4 3 9 13 14 48 16 12 7 4 3 4 15 11 5 2 2 9 5 3 4 2 1 2 2 3 2 2 2 2 1 1 2 4 3 4 3 3 3 2 3 5 7 4 6 13 3 3 8 20 13 5 4 8 23 16 15 5 4 4 6 4 9 14 13 9 18 15 14 35 9 22 3 3 3 2 1 3 2 3 5 18 7 19 3 3 2 1 2 2 2 2 2 2 4 5 3 11 5 9 38 23 51 10 7 8 7 6 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 7 8 13 4 2 1 6 5 6 14 21 100 9 13 4 8 21 30 20 14 33 69 53 15 3 3 24 21 37 7 57 12 43 5 2 2 3 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 1H | 75 74 s 1H | 63 63 s 2H | 38 37 s 2H | 32 31 tt 2H J 38 64 | 29 28 t 2H J 37 | 18 17 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)OCCCCl
ir: 4 5 6 11 7 5 2 2 3 1 6 2 3 8 21 3 2 2 2 1 0 1 2 1 0 2 1 0 0 2 1 0 1 3 3 2 6 10 7 4 4 2 3 0 3 6 2 0 1 4 2 0 1 2 1 0 1 2 1 0 1 2 2 8 4 5 2 1 4 6 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 2 2 1 1 2 3 4 3 3 3 4 5 23 100 95 18 18 5 3 2 3 3 2 2 6 7 7 5 8 5 3 5 5 4 2 4 3 2 0 2 2 3 3 5 3 1 2 3 11 31 6 4 3 2 1 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 2 1 1 1 3 1 2 3 4 4 3 5 6 4 2 2 3 2 10 28 20 3 1 2 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 43 42 t 2H J 50 | 37 37 t 2H J 39 | 22 21 tt 2H J 40 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(=O)[nH]c2cc(Cl)ccc21
ir: 1 1 0 0 1 1 1 1 1 1 1 0 1 2 2 0 1 1 1 1 1 1 7 24 19 5 0 1 3 7 6 1 0 0 1 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 1 1 3 12 2 1 0 2 1 0 0 0 0 0 0 1 4 1 0 0 0 0 0 6 1 2 0 1 3 3 0 1 1 0 0 0 0 1 1 1 2 18 0 1 0 0 0 1 0 1 1 5 2 0 0 9 11 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 6 0 1 3 0 0 1 1 2 16 2 7 3 3 3 12 23 1 0 1 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 4 2 2 8 20 13 1 1 1 1 0 1 1 4 100 30 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 21 | 76 75 d 1H J 84 | 72 72 dd 1H J 22 82 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(CCC)CN=C=O
ir: 9 8 24 14 6 18 17 19 23 10 14 9 10 9 11 8 5 7 9 8 13 11 8 14 6 7 15 15 8 9 7 7 6 5 11 7 7 8 11 7 14 12 9 8 5 8 7 10 7 12 9 6 10 14 6 6 8 8 6 6 9 8 6 7 5 8 5 4 4 4 3 4 7 5 5 6 3 5 3 3 4 3 3 3 3 3 2 3 3 3 4 5 7 11 9 5 4 4 4 4 4 4 3 6 6 7 5 21 12 14 7 15 9 7 9 9 7 9 26 14 16 5 4 4 6 3 3 4 4 3 3 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 2 3 3 2 2 4 3 2 2 3 3 2 3 4 3 1 3 4 2 1 3 4 2 1 3 5 3 2 7 13 0 100 32 4 8 5 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 2 2 3 4 4 3 5 7 10 9 9 5 5 6 10 5 10 19 21 9 6 3 4 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 32 31 dd 1H J 57 112 | 29 29 dd 1H J 57 112 | 17 16 m 2H | 16 15 ddd 1H J 57 66 121 | 15 14 m 4H | 14 12 m 6H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCn1c2c(c3ccccc31)CN(C)CC2
ir: 15 13 7 14 3 7 7 9 7 4 3 4 4 4 2 3 2 7 2 2 2 2 2 3 2 3 5 7 2 3 2 2 3 4 5 3 3 2 11 13 14 13 37 29 7 4 4 3 4 3 3 3 3 3 6 7 4 5 3 2 4 8 6 17 8 18 8 12 7 10 17 13 8 6 11 11 4 4 16 100 14 2 4 8 6 12 5 5 13 26 4 3 6 6 4 6 5 50 20 8 12 9 5 4 4 6 3 12 7 13 11 11 21 15 9 4 13 14 27 9 14 24 2 6 6 15 12 5 5 7 5 3 10 9 7 3 7 6 23 5 13 7 20 25 56 37 29 18 9 4 3 34 6 0 2 4 3 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 6 8 10 4 7 6 3 4 6 4 10 8 42 4 24 58 21 8 3 2 3 3 2 2 3 3 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 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; 1HNMR: 76 76 m 1H | 74 73 m 1H | 73 72 dd 1H J 14 64 | 72 72 td 1H J 14 71 | 40 39 t 2H J 59 | 38 38 s 2H | 37 36 s 3H | 31 30 dd 2H J 43 52 | 28 27 m 2H | 24 24 s 3H | 23 22 t 2H J 85 | 19 18 p 2H J 59 | 17 16 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1cc(Cl)ccc1C=O
ir: 3 2 5 3 1 1 3 2 2 1 2 2 4 1 2 2 4 3 2 4 2 3 1 2 1 2 3 3 3 3 5 2 3 1 2 1 1 1 1 0 1 0 1 1 2 1 2 2 2 1 1 4 12 14 11 2 1 2 2 0 2 4 5 3 8 12 29 24 20 13 8 15 4 4 2 3 2 1 1 1 1 1 2 2 2 1 1 4 4 1 1 3 1 1 2 4 8 9 2 1 0 1 1 3 3 2 1 6 11 3 2 1 0 1 1 2 4 4 3 3 3 4 8 6 2 1 1 1 1 1 0 1 2 2 6 10 5 22 17 6 6 5 2 1 1 1 2 4 11 4 1 3 13 4 1 12 15 9 3 2 3 21 39 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 4 3 3 3 5 7 13 33 100 33 5 9 8 6 3 4 2 2 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 88 | 73 72 dd 1H J 21 87 | 71 70 d 1H J 22 | 61 60 ddt 1H J 55 112 168 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 46 46 dt 2H J 14 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(O)[C@H](O)/C=C/[C@@H]1[C@@H](CCCc2ccc(C(=O)O)s2)[C@H](Cl)C[C@H]1O
ir: 7 7 14 15 6 4 9 4 2 3 3 5 3 3 1 1 2 1 1 1 2 4 14 14 7 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 2 4 2 1 2 1 1 1 1 2 3 2 3 3 1 1 7 12 100 13 1 0 2 5 2 3 8 44 46 9 8 3 6 5 2 3 1 1 2 2 2 2 3 3 2 2 2 1 2 2 2 11 2 1 2 1 1 1 3 4 3 8 7 5 3 2 4 1 1 2 2 2 2 1 1 1 1 1 1 1 0 2 6 12 4 1 1 1 1 1 2 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 3 2 2 2 3 7 5 4 2 2 10 2 1 1 2 2 41 14 39 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 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 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; 1HNMR: 76 75 d 1H J 66 | 69 68 dt 1H J 8 66 | 58 57 m 2H | 48 47 d 1H J 53 | 42 41 dtd 1H J 46 58 70 | 41 40 m 2H | 40 39 dddt 1H J 15 24 44 56 | 36 35 dtd 1H J 18 67 124 | 31 31 d 1H J 53 | 29 28 hd 2H J 9 70 | 25 24 m 1H | 23 22 dddd 1H J 17 46 63 125 | 21 20 ddddd 2H J 17 42 64 126 191 | 18 17 m 1H | 17 16 m 3H | 16 13 m 7H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1c(C=O)cc(Br)cc1C(C)(C)C
ir: 9 16 7 12 20 11 6 9 10 11 5 6 8 4 1 12 17 5 1 24 19 3 10 19 8 2 1 6 7 2 9 15 8 2 2 7 7 4 6 14 10 3 3 8 6 0 5 17 15 17 7 10 4 0 4 8 5 4 9 13 17 20 27 44 18 11 31 88 100 12 13 21 22 23 21 34 6 78 21 6 4 3 6 6 4 7 48 17 3 4 10 7 2 3 7 6 2 5 9 7 4 19 44 6 3 5 7 28 7 8 29 45 40 7 13 14 14 10 10 19 7 14 11 15 13 16 12 18 8 10 12 6 9 11 9 7 12 14 65 20 6 9 8 3 15 8 6 2 3 7 6 2 3 37 49 6 7 10 24 18 5 12 13 3 4 8 5 1 4 8 4 0 4 8 4 1 4 8 4 1 4 7 3 1 5 7 3 1 5 7 3 2 5 6 2 2 6 6 2 2 6 6 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 5 1 3 7 4 1 4 7 4 1 4 8 4 0 4 7 4 1 4 7 3 1 5 7 3 1 5 7 3 2 5 6 3 2 5 6 2 2 6 6 3 3 6 5 2 3 6 6 2 3 7 6 3 8 10 12 2 4 8 6 2 4 8 6 7 24 46 43 32 44 84 70 23 16 11 6 3 5 7 4 2 5 7 4 2 5 6 3 3 5 6 3 2 5 5 3 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 1; 1HNMR: 78 78 d 1H J 22 | 76 76 d 1H J 22 | 50 50 s 2H | 35 35 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c3c(c2c1)C1CCN(C1)C3C(=O)O
ir: 1 1 1 2 2 1 1 1 2 3 1 9 13 2 5 7 14 9 20 26 20 63 100 29 21 29 7 9 22 12 12 5 3 3 3 4 1 7 10 2 1 1 1 1 1 1 1 2 2 2 2 1 3 32 24 2 3 3 8 1 2 2 1 12 3 5 4 2 5 6 7 23 4 3 4 7 9 56 78 22 2 4 3 36 13 5 12 13 9 2 6 7 1 12 22 2 0 1 2 1 3 6 2 6 20 5 4 3 2 7 33 6 3 5 1 1 0 1 2 3 3 5 6 8 5 2 2 2 1 1 1 1 1 1 3 3 1 1 1 1 1 5 5 14 6 3 6 9 1 1 1 0 0 8 6 24 3 1 1 1 1 0 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 0 1 0 0 1 1 2 1 1 2 6 3 1 5 6 5 3 24 15 4 1 1 1 0 1 2 9 29 6 0 0 1 1 1 1 0 0 1 1 1 1 2 7 16 23 9 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 73 72 m 1H | 70 69 m 2H | 47 47 s 1H | 39 38 s 2H | 33 32 ddd 1H J 50 68 119 | 32 31 m 2H | 30 30 ddd 1H J 49 68 117 | 29 28 m 1H | 24 23 m 1H | 21 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)CN(Cc1ccccc1)C(Cc1ccc(O)cc1)C(=O)OC(C)(C)C
ir: 8 7 5 8 15 11 7 21 19 31 17 37 8 7 6 5 10 18 6 4 8 7 9 12 16 11 11 4 6 9 25 32 27 5 8 5 5 15 17 20 45 24 6 4 8 11 12 8 8 5 6 5 6 14 12 50 52 17 5 11 7 9 5 17 7 4 2 4 12 27 5 1 4 4 1 3 12 15 9 66 87 34 30 52 8 7 21 16 35 63 55 11 5 8 8 4 8 9 11 9 9 10 6 4 6 7 22 15 13 9 2 4 5 10 14 11 9 10 4 14 5 13 11 8 2 15 8 18 4 18 27 19 12 8 8 16 6 6 2 3 3 6 12 19 80 42 71 32 24 12 7 5 8 5 2 1 1 2 1 0 1 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 4 5 6 6 6 2 2 15 4 5 5 3 8 4 15 27 43 28 23 100 43 21 13 9 6 5 7 81 15 11 2 6 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 2H | 73 73 s 4H | 71 71 dt 2H J 9 86 | 68 67 m 2H | 65 65 s 1H | 39 39 d 1H J 129 | 37 36 m 2H | 36 36 d 1H J 143 | 35 34 d 1H J 143 | 32 31 ddt 1H J 9 74 130 | 30 29 ddt 1H J 9 75 130 | 14 14 d 18H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc(C(=O)C=[N+]=[N-])cc1
ir: 1 6 8 3 0 3 5 2 0 3 5 2 1 5 6 5 2 7 10 19 16 21 17 5 1 7 6 2 6 12 10 4 2 6 7 24 4 4 4 5 3 5 9 8 3 7 10 1 4 8 10 4 20 26 13 13 22 6 5 3 4 5 3 2 4 11 13 11 17 17 8 2 13 9 3 2 6 6 2 1 4 4 3 2 8 12 3 5 6 5 7 16 33 9 5 7 3 5 1 7 5 4 0 2 5 3 0 2 4 4 3 7 8 9 1 7 7 15 20 15 14 5 2 6 7 14 4 4 4 3 2 4 4 3 3 5 5 3 1 3 10 11 97 55 7 6 3 6 11 13 4 27 9 3 6 7 8 32 5 9 4 0 3 7 4 1 2 4 3 0 3 5 2 0 2 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 4 4 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 4 2 4 6 4 4 6 6 4 4 4 10 13 41 26 16 32 100 38 20 11 6 4 5 4 2 4 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4; 1HNMR: 79 78 m 2H | 73 73 dp 2H J 9 77 | 59 59 s 1H | 26 26 tt 2H J 9 75 | 15 14 m 2H | 14 13 m 4H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccc(-c3cnccn3)cc2CC1
ir: 6 12 14 25 9 10 19 17 23 20 24 14 42 10 11 15 16 16 14 23 13 9 7 7 15 12 7 5 7 9 6 7 6 4 5 6 6 6 6 6 5 5 6 5 5 5 5 5 5 6 5 7 15 12 17 8 8 5 8 10 6 10 8 8 17 17 23 8 11 59 9 9 5 6 12 16 16 7 6 6 6 17 11 11 6 6 6 10 8 6 9 5 21 9 9 23 8 6 5 5 8 6 5 8 6 7 4 5 10 6 0 50 23 15 13 11 4 13 11 13 23 19 38 45 23 11 8 16 6 11 7 9 7 11 10 15 28 28 6 6 7 7 7 10 6 15 5 5 7 6 17 100 8 28 8 7 5 6 5 4 5 5 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 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 5 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 7 7 6 7 8 11 6 7 6 6 7 7 14 17 17 27 31 15 10 7 5 6 7 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 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4; 1HNMR: 93 93 d 1H J 13 | 88 87 d 1H J 33 | 87 86 dd 1H J 14 34 | 78 78 dd 1H J 21 87 | 76 76 dt 1H J 8 19 | 72 71 dt 1H J 9 86 | 37 36 dt 5H J 66 169 | 29 28 dtd 4H J 9 67 229 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(C(=O)Nc1ccc2cnccc2c1)c1ccsc1
ir: 4 6 2 5 6 3 4 4 4 8 6 8 4 7 4 8 4 5 6 3 3 5 4 5 11 37 53 30 33 32 22 13 5 9 26 3 8 14 26 7 8 12 17 8 35 11 8 4 4 6 3 4 10 11 6 1 3 6 5 4 4 9 3 6 2 2 2 2 6 4 3 6 3 10 23 33 10 4 1 1 3 3 1 2 3 3 3 1 2 4 4 2 4 5 21 10 10 4 9 16 7 4 1 9 9 4 2 7 29 8 6 11 18 5 6 13 7 6 3 5 9 9 6 5 7 11 7 7 8 14 6 6 11 18 6 4 5 2 2 4 9 21 14 21 15 45 100 17 21 74 9 5 6 6 16 9 8 52 9 5 2 1 1 3 2 0 2 4 10 2 2 3 1 0 2 3 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 1 1 2 2 1 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 3 1 0 2 3 1 1 2 3 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 3 4 2 2 3 3 5 5 4 5 5 18 7 10 36 38 22 43 39 4 8 4 1 3 4 3 2 4 3 2 1 3 3 2 3 10 27 43 77 44 20 7 8 4 4 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 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; 1HNMR: 93 93 s 1H | 91 91 m 1H | 86 86 dd 1H J 16 46 | 80 80 m 2H | 77 76 dd 1H J 21 45 | 76 76 dd 1H J 21 88 | 74 74 dt 1H J 11 21 | 74 73 dd 1H J 16 55 | 71 70 ddd 1H J 7 16 55 | 65 65 t 1H J 62 | 42 41 td 1H J 9 43 | 39 38 ddd 1H J 42 62 141 | 36 36 ddd 1H J 42 62 141 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)c1ccc(OCC2CO2)cc1
ir: 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 3 6 3 2 3 3 2 8 6 4 4 21 32 5 6 2 1 3 3 2 2 2 2 1 2 1 2 2 3 3 21 13 4 4 1 1 2 2 1 2 3 3 2 4 10 4 2 1 2 3 2 3 3 3 2 2 1 1 2 1 1 1 3 3 2 2 1 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 5 17 5 4 5 2 4 5 4 3 8 15 2 1 2 2 1 1 2 5 2 2 2 2 5 40 10 3 7 4 15 5 2 3 7 7 5 3 3 2 1 1 2 1 1 3 2 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 1 1 1 1 1 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 3 4 4 7 40 100 45 5 6 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 78 78 m 2H | 76 75 m 1H | 75 75 ddt 2H J 14 65 82 | 71 70 m 2H | 42 42 dd 1H J 33 117 | 40 39 dd 1H J 33 117 | 34 33 p 1H J 30 | 29 29 dd 1H J 29 77 | 28 27 dd 1H J 28 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CC(F)(F)C1
ir: 3 3 4 15 7 3 19 4 4 5 8 18 8 6 4 3 3 3 3 4 3 5 6 11 68 23 71 8 11 4 4 3 3 3 3 3 3 5 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 5 3 4 3 3 3 4 4 3 3 3 3 3 4 4 3 4 3 3 3 4 3 13 37 93 64 7 8 6 3 3 5 8 3 3 3 3 3 4 7 6 6 4 5 5 5 3 4 3 3 3 4 3 11 8 11 3 4 4 12 48 15 5 3 4 3 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 4 3 6 6 7 5 5 6 6 24 11 11 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 9 15 4 4 7 7 6 5 11 5 5 3 4 3 2 3 4 3 0 95 100 33 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 27 27 pt 1H J 24 59 | 27 25 dtd 2H J 60 126 154 | 24 23 dtd 2H J 60 126 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCOC12CC3CC(OCOCCOC)(C1)CC(C(C)(C)O)(C3)C2
ir: 53 22 17 16 23 15 13 18 26 65 12 22 24 14 8 13 22 7 4 13 16 8 6 12 9 6 2 6 7 1 2 9 6 2 3 9 6 2 3 7 6 3 7 15 9 2 7 15 11 3 15 16 14 1 17 16 31 27 22 43 24 47 37 33 24 25 62 93 55 60 56 48 23 47 36 100 56 36 32 78 42 73 25 43 11 19 13 21 18 36 14 9 10 13 28 23 11 12 14 10 8 10 9 18 2 17 20 17 7 26 53 18 18 34 13 7 2 6 12 6 2 11 20 19 20 35 21 11 28 22 31 46 33 17 12 10 11 12 11 8 3 6 5 3 2 5 6 2 3 5 4 3 2 6 5 1 2 5 4 1 2 6 4 0 3 6 3 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 5 4 1 2 5 4 1 3 6 4 0 3 6 3 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 2 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 1 2 5 5 2 2 6 4 2 4 7 5 4 7 10 12 8 9 20 29 10 7 13 10 10 25 51 82 58 15 19 8 5 8 9 7 3 16 87 30 4 8 10 5 4 6 6 3 3 5 7 4 3 6 6 2 2 5 5 2 3 6 5 1 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 0 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 47 47 d 2H J 35 | 46 45 d 2H J 35 | 37 36 m 4H | 36 35 m 4H | 34 34 s 5H | 27 27 s 1H | 20 19 dd 2H J 46 133 | 19 18 m 2H | 18 18 d 2H J 139 | 17 16 m 3H | 16 15 d 2H J 139 | 14 14 d 2H J 48 | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2cccc(C3(NC[C@@H](O)[C@H](Cc4cc(F)cc(F)c4)NC(C)=O)CC3)c2)c1
ir: 1 2 4 3 4 3 1 4 5 4 5 5 3 7 6 4 1 2 2 2 2 6 5 1 1 1 2 3 2 2 2 4 11 28 9 2 4 9 3 1 3 9 5 7 6 4 18 11 7 4 4 1 2 5 3 2 1 0 5 1 1 1 2 2 8 5 7 15 7 8 7 1 4 6 3 2 3 4 3 4 11 2 1 0 1 1 4 1 4 6 5 3 6 9 4 1 1 1 1 1 1 1 1 2 1 1 1 1 3 3 7 12 4 2 3 1 1 2 4 3 4 6 5 11 7 3 8 4 3 2 1 2 2 1 2 3 3 3 3 9 2 1 2 3 3 11 15 8 3 1 2 3 4 5 1 2 2 1 6 5 2 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 3 2 4 2 4 5 4 12 14 22 4 9 4 2 5 37 100 18 8 1 1 1 1 1 2 1 2 10 21 6 11 4 3 8 11 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 m 2H | 75 74 m 1H | 74 73 m 3H | 73 72 t 1H J 20 | 70 69 dt 1H J 21 71 | 69 68 tt 1H J 22 121 | 68 67 ddt 2H J 9 16 122 | 66 66 d 1H J 84 | 47 46 t 1H J 55 | 40 39 dq 1H J 61 84 | 39 38 m 1H | 39 38 s 3H | 38 37 d 1H J 43 | 32 31 ddt 1H J 9 62 135 | 31 30 ddd 1H J 38 55 141 | 30 29 ddt 1H J 9 62 134 | 29 28 ddd 1H J 38 55 139 | 19 19 s 2H | 18 17 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccccc2C(F)(F)F)cc1C=O
ir: 3 2 1 1 1 2 2 2 1 4 2 1 1 3 2 7 4 2 1 1 1 2 1 1 1 1 1 2 5 2 1 1 1 2 3 4 3 2 4 1 2 9 100 4 2 1 1 1 1 1 2 1 3 26 19 16 3 0 2 4 3 5 4 7 4 2 1 2 2 3 2 3 4 8 3 6 4 1 1 1 1 1 27 3 2 2 3 2 1 1 2 2 1 1 1 3 6 4 8 42 7 2 5 17 24 4 2 4 17 2 7 3 1 1 2 1 1 5 7 13 7 2 1 4 2 2 2 3 2 1 1 1 1 2 2 2 3 16 7 2 2 8 6 2 2 1 2 10 13 2 1 2 9 5 1 3 3 8 6 3 1 2 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 4 3 11 62 37 15 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 22 | 79 79 dd 1H J 12 68 | 77 76 ddd 1H J 12 66 104 | 76 75 m 2H | 75 74 td 1H J 14 67 | 71 71 d 1H J 86 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2nc(C(C)O)[nH]c12
ir: 19 10 8 8 8 8 19 5 8 14 13 10 7 4 2 2 3 5 2 4 3 10 5 8 20 30 29 17 5 3 2 1 2 2 1 2 7 14 4 2 2 2 1 1 1 4 4 11 38 2 4 5 2 0 2 2 7 4 2 2 2 0 2 1 1 1 1 4 3 1 4 3 3 2 3 3 3 9 13 6 1 3 4 4 4 8 27 20 48 72 39 24 11 5 7 2 2 2 4 13 6 2 1 1 1 1 1 1 1 2 2 1 0 1 1 2 5 5 3 5 3 3 5 16 12 6 13 13 3 3 2 2 5 15 5 1 0 7 9 4 2 15 9 3 5 22 16 3 1 2 2 0 4 20 2 1 1 1 4 1 3 0 1 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 5 2 5 3 3 3 7 38 19 3 2 6 4 3 16 100 20 14 4 2 2 2 0 0 1 2 2 1 2 2 3 3 53 43 23 11 6 4 1 1 2 4 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 12 74 | 74 73 dd 1H J 73 82 | 69 69 dd 1H J 11 82 | 50 50 d 1H J 40 | 48 47 qd 1H J 40 53 | 41 41 s 3H | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(Nc2ncnc3cccc(OC[C@H]4COCCN4)c23)ccc1OCc1ccccn1
ir: 4 3 6 6 11 3 4 12 3 4 3 6 13 3 6 6 5 5 7 11 3 9 14 7 8 20 10 43 9 18 21 46 26 37 27 26 22 14 53 9 7 21 6 9 7 15 33 24 15 23 6 4 12 17 44 43 59 0 22 8 35 7 3 10 11 13 9 5 12 6 9 16 7 9 4 4 8 4 5 3 10 15 9 6 5 6 4 5 8 7 5 2 3 7 6 11 8 2 3 10 7 5 5 6 5 4 11 47 15 6 4 14 42 28 16 9 3 13 7 4 4 11 7 7 5 5 7 11 7 6 4 30 6 6 22 10 20 31 4 5 5 44 10 57 8 4 3 5 9 7 7 12 15 28 19 38 71 7 4 7 84 6 70 11 12 33 3 4 2 1 2 3 2 1 2 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 1 2 1 2 2 2 1 1 2 2 1 2 2 2 2 1 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 3 3 4 4 3 4 4 4 4 4 15 8 36 79 39 12 10 6 4 3 3 3 4 3 4 3 3 3 4 3 6 6 39 100 33 5 6 9 25 18 22 30 11 7 2 4 2 2 2 2 2 2 1 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2; 1HNMR: 86 86 m 3H | 79 78 m 2H | 76 76 dq 1H J 10 74 | 76 75 dd 1H J 76 83 | 74 74 d 1H J 21 | 74 73 ddd 1H J 15 42 73 | 73 73 dd 1H J 22 88 | 70 70 d 1H J 89 | 69 69 dd 1H J 11 84 | 53 53 d 2H J 10 | 42 41 dd 1H J 54 118 | 39 39 dd 1H J 54 118 | 38 37 dd 1H J 22 115 | 37 36 m 2H | 35 35 dd 1H J 49 114 | 33 32 dqd 1H J 21 53 74 | 30 29 m 2H | 29 28 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c3cc(Br)ccc3n(Cc3ccccc3)c2s1
ir: 1 4 7 5 4 2 6 5 1 5 5 4 2 3 5 5 0 10 27 34 11 4 1 3 3 6 5 2 5 14 19 10 14 31 18 6 7 29 10 15 41 44 5 5 4 2 1 6 4 2 1 1 10 22 20 5 3 5 2 1 3 4 4 3 11 31 19 34 16 6 5 28 9 3 5 6 8 4 15 3 1 2 4 12 3 3 4 2 11 18 4 5 6 4 3 2 0 2 15 3 6 10 1 1 1 0 1 1 1 1 1 2 3 16 1 1 3 4 6 39 52 5 5 2 1 3 2 7 4 5 6 5 3 4 13 43 2 2 3 0 2 15 55 44 25 13 20 4 2 2 3 17 19 5 2 1 2 12 2 2 1 1 2 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 1 2 1 1 1 1 1 2 1 1 1 2 7 7 7 23 13 51 100 54 55 33 7 2 5 3 2 2 2 1 1 1 0 2 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 m 1H | 81 80 s 1H | 75 74 m 2H | 74 72 m 6H | 56 56 m 2H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOc1cnc(-c2ccc(CCCCC)cc2)nc1
ir: 6 5 5 5 5 5 5 5 5 5 5 6 5 5 7 9 6 6 6 5 6 6 7 7 5 5 5 12 8 11 7 7 5 4 10 9 17 44 100 15 10 9 10 7 7 11 6 5 5 5 5 6 5 6 6 8 14 15 6 5 5 5 6 5 5 6 6 6 8 6 7 6 8 5 5 5 5 5 4 4 5 5 5 4 5 5 5 7 7 13 5 5 6 5 6 5 5 5 5 5 5 5 9 7 5 5 4 6 6 8 8 7 8 9 5 9 8 8 6 8 7 8 4 6 10 7 15 63 0 8 8 5 4 5 6 5 4 5 5 5 6 6 23 25 6 8 7 6 6 14 12 8 20 10 6 4 5 6 5 10 7 6 10 6 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 5 6 6 6 6 8 8 7 5 6 5 5 6 7 5 21 10 10 33 12 5 5 6 5 5 5 6 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4; 1HNMR: 84 84 s 2H | 80 79 m 2H | 73 72 dt 2H J 9 90 | 41 41 t 2H J 63 | 27 26 tt 2H J 9 77 | 18 17 tt 2H J 63 75 | 15 14 m 4H | 14 12 m 10H | 9 9 t 6H 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)N1C[C@@H](COS(C)(=O)=O)[C@@H](O)C1
ir: 12 9 25 27 11 20 18 17 11 7 56 7 10 5 6 8 2 5 3 2 1 3 3 2 2 3 2 1 1 2 2 2 2 2 9 1 2 1 4 1 2 5 4 2 3 2 2 4 7 4 2 2 2 2 1 2 4 14 13 2 3 5 3 4 2 7 5 5 10 8 6 17 81 37 18 17 4 3 7 10 3 2 5 3 2 8 22 41 100 55 36 82 18 6 8 8 7 4 4 6 21 45 22 13 16 5 3 4 3 4 3 4 5 6 12 8 6 10 14 10 15 23 13 8 5 4 4 5 5 9 13 8 6 39 10 2 1 1 1 1 2 1 1 1 1 1 1 1 1 3 9 89 3 0 1 2 1 1 1 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 3 5 3 3 2 2 2 3 2 2 4 2 5 9 10 15 35 21 36 4 8 4 3 3 10 33 29 57 11 2 3 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 43 42 m 2H | 41 40 dd 1H J 64 119 | 38 37 tt 2H J 18 125 | 36 35 m 2H | 34 34 d 1H J 51 | 30 30 s 3H | 26 25 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2Cc3ccccc3NC2=O)cc1F
ir: 4 4 4 5 4 4 4 3 3 3 5 6 5 4 5 4 5 7 4 4 4 3 4 7 6 6 6 4 5 3 3 4 4 5 3 5 5 3 9 15 6 0 10 100 5 10 5 1 3 6 6 6 5 10 12 9 5 5 4 3 10 8 5 5 7 16 18 20 6 5 4 3 4 4 4 4 4 5 4 3 4 4 11 3 4 4 11 4 5 6 8 5 6 4 4 9 4 4 3 3 12 5 4 4 4 4 5 7 5 8 4 3 4 3 3 4 5 4 3 4 4 3 3 4 4 4 3 4 4 3 4 7 5 8 42 7 6 4 4 4 3 5 15 6 4 3 3 4 5 4 10 10 10 12 19 74 11 2 3 6 5 17 29 6 4 3 3 5 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 4 5 4 4 8 11 14 73 40 9 5 6 4 4 4 3 4 4 4 3 4 4 4 5 4 4 6 8 5 11 9 13 40 23 9 9 6 4 3 3 4 4 3 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 81 81 s 1H | 75 74 dd 1H J 14 80 | 73 72 m 3H | 71 71 dd 1H J 21 121 | 70 69 m 2H | 51 50 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2ccccc2)CCC=CCC1
ir: 4 2 0 2 2 1 0 3 16 5 12 4 10 2 0 2 2 1 0 2 3 6 7 2 3 0 3 7 6 5 23 14 8 3 7 5 13 11 13 9 46 25 14 6 3 2 2 2 2 4 6 4 2 1 1 2 2 0 4 11 1 0 1 2 2 1 3 3 4 2 15 3 14 1 2 3 1 1 7 4 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 3 1 1 2 2 1 2 3 2 1 1 3 2 0 2 3 3 1 3 5 6 9 15 10 6 6 6 5 7 4 3 4 4 3 3 2 3 11 6 13 14 8 10 16 5 2 3 5 6 26 17 7 2 3 3 2 1 3 8 7 7 2 2 1 0 1 2 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 3 1 21 14 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 4 11 6 3 5 3 4 7 9 8 16 17 100 55 26 9 8 6 4 1 2 4 1 0 2 2 1 1 1 2 1 0 1 2 0 0 2 2 1 0 1 1 0 0 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 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; 1HNMR: 75 74 m 4H | 73 73 m 1H | 56 55 p 2H J 30 | 24 23 dddd 4H J 44 63 120 132 | 22 21 dddd 2H J 26 61 72 148 | 21 20 dt 2H J 66 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2c(C)nn(-c3ccc(CCN=[N+]=[N-])cc3)c2C)c1
ir: 11 19 5 10 13 9 9 12 6 4 5 2 13 11 9 10 10 7 7 4 6 5 3 3 6 2 1 3 6 15 5 3 13 10 2 1 1 1 1 1 3 2 2 2 2 4 4 43 25 11 3 1 3 7 8 60 10 6 3 3 2 3 3 4 10 6 5 12 14 13 4 5 5 5 4 6 4 3 10 3 1 2 1 1 2 2 1 5 1 1 1 2 2 6 2 13 10 4 8 6 1 10 3 3 2 1 2 1 1 1 4 7 2 5 33 4 11 15 12 8 7 5 10 5 4 15 15 9 34 2 2 1 2 4 22 22 6 2 6 63 8 1 0 6 87 4 29 15 8 11 5 26 3 4 2 0 2 2 2 0 1 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 3 2 3 2 1 2 3 2 3 4 3 6 13 17 21 72 100 34 19 10 6 7 2 3 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 t 1H J 22 | 79 78 ddd 1H J 15 22 75 | 77 76 m 2H | 75 74 m 2H | 74 73 dt 2H J 9 83 | 39 39 s 3H | 33 33 t 2H J 57 | 30 30 tt 2H J 9 57 | 27 27 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.
N#Cc1cc(-c2cnc(C(F)(F)F)nc2)ccc1C(F)(F)F
ir: 4 3 5 4 3 3 5 3 3 4 3 3 3 2 3 3 4 9 3 7 4 3 3 2 2 3 4 0 23 3 2 3 3 3 3 3 3 6 100 72 6 12 4 4 3 2 2 3 3 2 3 3 3 3 9 4 3 15 4 3 3 2 2 3 3 8 2 11 23 9 4 3 2 2 3 3 2 4 3 3 2 2 3 3 2 2 4 4 3 3 6 8 3 3 3 6 4 11 7 52 15 9 93 5 3 3 5 13 3 2 3 3 3 3 3 4 2 8 7 5 12 7 6 5 3 3 1 10 8 4 3 2 2 3 3 2 3 3 3 3 3 2 46 20 1 4 3 2 2 6 4 3 7 21 4 2 3 4 8 2 2 3 3 2 12 4 3 3 2 3 3 2 2 3 2 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 5 8 49 12 4 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 90 90 s 2H | 83 82 d 1H J 21 | 82 82 dd 1H J 22 109 | 78 78 dq 1H J 25 108
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c2c(c(O)c(C(=O)OC)c1=O)CC=Cc1cc3c(ccn3C)cc1-2
ir: 16 14 18 14 12 15 18 17 17 15 14 20 18 14 15 14 15 14 17 14 20 23 29 55 21 14 27 19 42 18 18 21 15 24 28 38 21 15 14 15 16 12 15 14 13 12 14 14 14 15 26 65 23 19 16 13 14 15 17 15 15 15 15 26 20 18 20 22 16 32 18 25 23 19 14 13 15 13 13 12 13 13 13 12 14 14 13 15 16 17 26 22 15 27 28 15 22 30 47 28 24 23 18 18 16 18 18 17 13 15 17 15 14 14 15 15 13 13 15 14 13 13 15 16 15 15 16 13 13 14 14 23 12 14 16 15 15 16 17 16 19 16 15 20 13 14 14 29 20 17 16 25 19 23 59 15 14 18 15 4 92 0 10 18 13 9 12 15 12 10 12 15 12 11 12 14 12 11 12 13 12 11 12 13 12 11 12 13 12 11 13 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 13 12 12 12 13 12 12 12 13 13 12 12 13 13 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 13 12 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 14 13 13 17 14 13 18 17 15 15 24 20 26 16 36 21 25 30 100 43 24 14 14 13 13 13 13 13 12 13 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12; 1HNMR: 95 95 s 1H | 80 79 d 1H J 22 | 76 75 s 1H | 73 72 dt 1H J 8 50 | 70 70 dt 1H J 9 101 | 64 64 dd 1H J 21 50 | 61 60 dt 1H J 66 103 | 60 59 ddt 1H J 60 116 173 | 53 52 ddt 1H J 13 24 169 | 51 51 m 1H | 46 45 dt 2H J 14 60 | 38 38 d 6H J 57 | 29 28 dd 2H J 9 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)N2CCNCC21
ir: 2 4 10 5 1 6 14 21 17 25 9 5 4 8 9 5 7 8 7 4 3 6 6 2 1 5 6 2 2 8 6 1 2 6 6 1 2 7 5 1 3 6 7 8 20 13 9 2 3 9 8 2 63 100 42 7 5 7 7 10 18 10 7 26 20 22 12 4 6 7 4 2 6 8 3 1 5 5 2 1 5 6 1 2 9 17 2 2 6 6 2 3 6 6 2 4 10 6 2 4 7 5 4 3 7 7 3 7 42 61 53 14 33 20 18 65 81 41 52 33 27 7 1 6 17 7 2 11 21 18 14 15 22 6 2 8 7 2 2 6 6 3 2 6 5 1 2 6 5 11 10 39 12 4 4 5 4 1 3 6 4 1 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 2 1 4 6 2 1 4 5 2 1 4 5 2 1 5 5 2 2 5 5 1 2 5 5 1 3 6 5 1 2 6 4 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 4 2 2 5 5 2 2 6 5 2 3 6 6 3 5 8 7 3 8 8 5 2 6 8 7 19 13 11 4 1 5 8 4 1 4 6 3 1 4 6 3 2 5 7 5 3 7 9 82 39 86 11 3 2 6 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 38 37 th 1H J 15 44 | 37 37 ddd 1H J 29 51 124 | 36 36 ddd 1H J 27 51 125 | 32 32 dt 1H J 43 123 | 30 29 m 3H | 25 24 tt 1H J 31 44 | 14 14 d 3H J 14 | 14 13 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCOC(c1ccc(Cl)cc1)c1ccc(Br)cc1
ir: 1 1 2 1 1 1 1 1 1 2 5 4 2 4 3 3 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 3 6 6 7 10 13 66 90 11 8 1 2 3 7 5 1 3 4 6 5 9 12 15 15 4 2 0 2 2 1 1 3 2 3 2 5 9 5 4 2 2 2 3 1 1 1 1 2 1 2 2 2 1 2 1 2 1 2 3 9 6 2 2 1 1 0 1 1 1 1 1 1 1 0 1 3 2 1 3 2 2 1 2 3 5 7 8 12 5 5 7 3 5 6 6 4 3 2 4 34 3 5 14 5 4 4 2 1 0 0 2 3 5 29 28 5 4 3 3 11 20 100 8 4 4 2 5 2 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 1 2 1 2 3 1 7 17 41 69 26 9 6 6 4 2 2 1 1 1 1 0 0 1 0 0 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 75 74 m 2H | 74 72 m 6H | 57 56 d 1H J 8 | 43 41 m 2H | 40 39 dt 1H J 37 104 | 39 38 dt 1H J 37 104
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrC1NCCc2ccccc21
ir: 2 2 0 1 2 1 0 1 2 1 1 1 1 0 0 1 1 1 0 1 3 4 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 13 4 3 18 17 10 3 2 7 2 4 6 28 22 3 3 2 6 42 3 2 4 1 1 2 3 4 20 2 1 2 3 1 1 2 2 2 2 1 1 1 1 0 1 1 1 1 1 1 2 19 5 2 2 2 2 2 2 0 4 13 3 4 4 2 1 3 4 2 1 0 1 3 19 51 23 6 7 7 3 2 2 2 3 7 9 2 1 5 6 9 14 3 1 1 1 1 1 0 6 8 2 1 12 6 1 1 1 1 1 1 11 5 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 2 3 2 2 6 4 3 11 14 26 10 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 96 100 7 3 1 1 1 3 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 ddd 1H J 6 16 77 | 73 72 td 1H J 18 76 | 72 72 td 1H J 15 78 | 71 71 ddt 1H J 8 19 80 | 61 60 m 1H | 33 33 ddt 1H J 29 53 141 | 32 31 ddt 1H J 30 59 141 | 30 29 dddd 1H J 9 29 55 150 | 29 28 dddd 1H J 9 28 53 150 | 27 26 dt 1H J 33 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@](O)(c1ccc(C(=O)N(C2CCC(CCC(N)=O)CC2)C2CC2)cc1)C(F)(F)F
ir: 5 2 2 2 1 2 3 1 3 3 3 2 5 4 5 3 2 4 0 2 2 3 2 3 2 2 6 8 5 4 5 4 6 2 2 1 1 1 2 7 11 9 4 4 3 1 2 3 2 4 2 2 2 4 2 1 6 18 2 3 2 2 1 2 1 1 1 1 1 1 2 1 2 3 2 1 2 4 1 1 1 2 2 6 6 8 6 20 18 5 5 2 1 4 3 6 4 10 5 2 2 4 7 4 3 3 4 2 2 2 2 3 1 1 2 1 1 1 7 3 2 2 3 6 15 11 5 4 4 2 4 3 4 4 7 2 1 1 1 1 2 3 3 1 49 25 3 2 2 3 3 2 2 4 2 4 6 10 41 9 4 3 2 3 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 0 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 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 2 2 2 1 1 2 6 3 3 6 2 14 15 7 4 3 2 3 6 7 39 6 3 1 1 1 1 5 1 25 6 5 2 4 1 0 0 2 2 3 3 11 100 20 7 2 2 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 75 75 m 2H | 64 64 s 2H | 38 37 m 1H | 37 37 m 1H | 33 32 p 1H J 62 | 23 22 t 2H J 79 | 20 19 dddd 2H J 57 64 82 122 | 17 15 m 11H | 15 14 m 2H | 9 8 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(=O)c2cccc(CN)c2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
ir: 1 1 1 2 3 1 1 3 11 1 0 1 1 0 2 1 1 0 1 4 2 0 1 1 2 3 0 1 2 1 3 2 5 0 0 15 53 10 7 9 4 16 22 86 19 5 4 8 18 6 2 0 7 3 3 1 2 7 5 2 25 1 2 1 9 1 6 11 12 7 23 22 42 8 2 3 9 5 2 6 11 6 2 1 1 2 1 2 2 2 1 11 3 2 1 2 1 1 1 1 2 1 2 1 1 2 23 2 1 0 1 0 0 1 0 1 4 3 2 4 20 7 5 5 4 4 2 11 4 7 9 13 19 24 25 11 8 3 6 5 9 32 20 17 4 4 2 3 13 28 12 6 2 2 4 1 0 2 1 1 4 9 2 1 1 1 4 2 1 1 1 0 0 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 1 0 0 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 1 1 1 0 0 1 1 1 1 3 2 1 3 3 8 6 11 38 18 33 12 6 2 2 4 2 2 4 2 7 4 7 21 9 4 6 5 5 5 19 100 10 22 24 13 3 1 3 4 1 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 td 1H J 13 67 | 78 78 ddt 2H J 13 22 49 | 78 77 d 1H J 22 | 77 76 d 1H J 22 | 75 75 dd 1H J 13 70 | 75 74 dd 1H J 77 84 | 74 73 m 1H | 68 67 t 1H J 70 | 40 40 tt 2H J 9 63 | 39 39 s 3H | 16 16 t 2H J 63 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)c1ncc2ccc(Oc3ccc(OC)cc3)cc2c1O
ir: 3 4 2 5 3 2 1 4 4 3 2 3 2 2 2 2 3 2 6 11 8 4 5 3 3 3 9 26 28 23 38 28 11 3 39 17 13 12 9 1 3 4 3 3 2 3 4 0 1 3 2 2 18 9 9 6 9 5 1 4 4 3 3 1 2 3 2 5 26 8 9 2 3 3 1 1 1 1 1 2 12 1 1 3 4 3 3 5 5 5 2 2 4 5 2 3 27 99 18 8 8 6 4 2 7 7 3 10 15 18 8 8 7 5 7 17 8 4 6 4 2 2 1 3 2 4 4 3 2 1 2 9 7 2 2 1 1 1 2 1 2 2 12 9 3 6 3 6 10 2 3 5 8 9 6 2 1 3 1 1 1 1 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 4 8 17 19 100 22 8 37 80 28 14 3 3 4 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 23 | 77 77 d 1H J 28 | 76 75 dd 1H J 20 86 | 71 70 dd 1H J 27 86 | 69 69 m 4H | 44 43 t 2H J 64 | 38 38 s 3H | 18 17 p 2H J 67 | 14 13 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)ccc1OCCCCl
ir: 2 1 1 1 4 2 1 1 2 1 1 1 3 3 2 2 5 4 4 4 5 5 1 2 1 1 1 1 1 1 1 1 1 2 6 4 3 1 1 2 2 2 2 19 7 1 2 1 1 5 6 5 14 45 54 17 8 2 3 2 1 1 1 3 12 8 11 35 32 24 17 19 7 3 5 4 1 0 1 2 0 0 2 2 2 2 17 15 13 35 26 4 5 3 1 3 2 2 2 9 11 2 3 3 2 10 12 17 2 2 2 1 4 22 11 7 9 14 14 7 3 3 3 4 7 7 6 4 1 3 1 1 1 1 1 1 1 1 2 1 1 5 5 27 3 2 2 1 3 100 56 7 34 47 21 7 4 0 1 2 1 2 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 8 10 4 4 7 5 5 5 38 22 70 98 56 35 50 6 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 m 2H | 67 67 d 1H J 17 | 41 41 t 2H J 50 | 39 38 s 2H | 38 37 t 2H J 38 | 23 23 d 3H J 7 | 22 21 tt 2H J 38 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NC(C)(C)C)c(C)c1
ir: 2 1 0 1 2 3 4 1 2 2 0 1 2 1 0 2 3 2 1 2 2 0 1 2 5 7 3 3 2 1 2 10 21 1 2 7 3 2 42 10 84 64 10 2 5 4 2 1 1 1 1 2 1 6 12 2 1 1 2 4 9 15 7 3 1 3 5 3 1 2 3 11 22 9 2 0 1 1 1 1 0 0 1 1 1 1 3 4 4 9 4 2 2 2 4 2 1 1 2 3 2 1 2 2 0 1 2 3 5 3 2 1 0 1 4 1 0 2 5 5 6 7 5 2 4 4 4 3 2 5 7 5 2 3 2 1 0 3 4 13 63 35 13 2 100 30 12 39 4 0 1 12 18 6 4 2 1 2 1 1 1 2 6 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 1 1 1 1 1 2 2 2 3 4 10 13 16 21 30 8 3 2 2 1 2 1 1 1 1 2 4 3 1 1 1 2 6 5 2 1 5 33 68 45 11 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 d 1H J 81 | 71 71 m 1H | 71 70 m 1H | 68 68 s 1H | 24 24 s 3H | 23 23 s 3H | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1C2CCC1c1c(cccc1C(=O)OC)C2
ir: 17 23 17 11 5 3 3 3 3 3 4 9 4 2 5 7 5 3 7 5 2 1 1 2 2 4 1 2 2 1 1 3 2 3 2 6 3 1 1 4 6 3 2 5 3 20 11 2 5 2 1 3 2 1 1 2 1 0 2 4 2 0 2 3 1 1 2 3 1 0 2 2 2 4 3 2 6 1 1 2 1 2 2 1 1 1 3 2 8 8 1 6 11 2 9 3 0 2 3 4 2 5 6 6 8 7 25 19 4 3 3 8 19 12 14 11 3 8 8 6 6 7 9 4 1 3 4 2 0 3 7 6 58 7 2 1 2 2 2 2 16 25 10 3 24 23 20 0 10 12 54 100 11 0 0 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 3 5 8 4 4 5 3 6 5 5 15 4 15 27 17 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 78 dd 1H J 12 83 | 73 72 t 1H J 85 | 71 71 dq 1H J 10 86 | 48 48 t 1H J 49 | 42 41 q 2H J 66 | 41 40 tt 1H J 46 57 | 39 39 s 2H | 33 32 ddd 1H J 9 57 137 | 30 29 ddd 1H J 8 57 137 | 23 22 ddt 1H J 49 66 115 | 21 20 m 2H | 19 18 ddt 1H J 47 64 123 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(CC2CC2)c2ccc(C(F)(F)F)nc2)c1
ir: 3 4 6 7 18 16 29 11 13 6 5 3 4 6 7 10 8 13 6 3 10 16 29 19 3 14 8 5 11 7 12 5 10 7 5 8 33 35 35 8 15 34 23 8 16 14 8 3 3 7 4 3 4 5 70 100 12 16 5 2 3 6 3 0 9 43 11 19 5 12 7 8 5 3 2 2 4 3 8 17 6 10 5 6 10 41 12 16 4 10 7 5 8 8 27 52 15 4 21 18 8 10 32 31 28 27 50 15 13 9 3 3 5 3 5 9 7 6 7 10 11 16 9 32 39 19 9 8 5 8 24 22 7 4 4 18 8 58 5 6 6 4 4 12 11 9 29 24 28 18 13 93 24 11 12 16 4 3 3 5 14 17 3 2 2 1 2 3 2 1 1 2 2 0 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 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 3 2 3 4 6 7 4 3 2 2 4 3 2 5 6 3 17 22 22 30 35 97 18 17 7 7 4 5 3 2 3 3 1 1 3 5 2 2 5 7 5 5 6 18 5 19 20 27 23 6 3 3 2 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 86 85 d 1H J 22 | 83 83 dd 1H J 7 18 | 79 79 dd 1H J 22 93 | 77 77 d 1H J 94 | 75 74 m 2H | 73 73 t 1H J 62 | 37 36 ddd 1H J 56 63 132 | 34 33 dt 1H J 59 132 | 33 32 ddt 1H J 57 66 75 | 32 32 s 2H | 21 20 dt 1H J 72 144 | 18 17 dt 1H J 72 142 | 13 12 tp 1H J 59 70 | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(OC)nc(CCCOS(C)(=O)=O)n1
ir: 9 6 4 6 5 5 4 9 5 4 5 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 5 5 4 4 5 4 6 8 24 14 7 5 5 5 5 5 4 4 4 4 4 6 5 5 4 4 4 4 5 4 4 8 5 4 4 5 11 17 12 6 9 15 7 6 6 8 17 7 7 6 4 5 4 4 4 4 4 4 4 6 9 9 10 5 4 4 4 4 4 4 4 4 5 7 7 9 6 5 4 4 4 4 4 5 6 5 6 4 4 5 4 5 5 5 6 6 5 5 4 4 4 6 5 4 4 4 4 4 5 5 4 4 5 5 4 5 21 100 34 9 6 3 6 5 3 3 6 5 0 21 27 5 6 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 5 4 4 4 4 4 5 6 7 6 7 6 7 8 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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: 59 59 s 1H | 44 43 q 2H J 67 | 42 41 t 2H J 77 | 40 40 s 3H | 30 30 s 3H | 28 28 t 2H J 78 | 23 22 p 2H J 78 | 14 14 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCCCCCNc1ccnc2ccccc12)c1ccccc1
ir: 23 49 100 17 40 38 5 12 8 14 9 9 3 7 15 5 3 8 9 15 10 22 9 16 15 21 10 10 11 8 4 14 16 20 39 45 40 10 8 6 11 4 15 65 19 14 10 6 4 37 10 8 5 17 7 3 4 6 3 3 4 12 20 6 3 5 7 5 7 8 15 8 11 33 11 4 4 5 10 14 6 4 4 4 5 8 4 1 2 3 1 2 5 4 3 22 11 4 7 16 1 2 1 3 2 5 13 27 16 12 13 11 45 20 6 4 3 6 1 13 7 21 27 5 7 4 1 5 5 15 12 5 9 8 10 8 20 30 59 7 8 68 31 24 74 46 63 85 56 26 32 5 4 5 3 0 10 7 4 1 31 45 9 2 28 39 5 4 2 0 1 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 2 1 2 1 1 1 2 2 1 3 8 4 4 5 2 3 3 4 5 5 12 24 34 62 63 69 48 8 4 8 6 4 2 4 4 3 2 2 2 3 4 4 4 2 4 12 18 41 42 94 88 10 9 8 9 4 2 2 3 1 2 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 84 84 d 1H J 44 | 81 81 dd 1H J 10 88 | 80 80 dd 1H J 14 80 | 77 77 ddd 3H J 13 69 82 | 75 75 m 1H | 75 74 m 4H | 73 72 t 1H J 50 | 64 63 d 1H J 42 | 35 34 m 2H | 33 33 q 2H J 52 | 17 16 tt 2H J 53 73 | 16 15 tt 2H J 54 74 | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCc1cc(Cl)c[n+]([O-])c1
ir: 23 5 9 3 2 1 1 2 2 5 3 5 3 3 1 3 3 3 6 4 2 2 3 3 9 28 27 61 100 20 5 14 7 4 3 5 5 2 5 38 31 11 6 0 3 4 2 2 1 2 1 0 3 2 2 1 1 1 2 0 1 3 3 1 1 4 4 13 6 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 6 10 8 5 3 4 7 11 3 4 3 1 1 1 2 1 1 1 3 3 6 3 5 15 4 3 3 3 4 9 8 8 12 11 6 9 5 15 9 7 6 4 3 2 2 1 1 1 1 2 2 5 9 35 26 35 43 15 17 95 13 6 3 1 1 1 5 38 10 3 6 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 2 4 2 1 4 2 2 4 3 5 12 27 34 24 31 9 14 3 4 1 2 2 2 1 2 3 3 2 2 1 1 1 1 1 1 1 2 4 12 33 38 66 15 3 2 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 53 53 t 1H J 50 | 45 45 d 1H J 15 | 43 42 d 1H J 14 | 34 33 dt 2H J 44 51 | 32 32 t 1H J 15 | 23 22 t 2H J 44 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2ccc(CN3CCC(Nc4ccc5[nH]ncc5c4)CC3)cc2)cc1
ir: 7 5 8 2 2 3 11 7 18 79 23 65 10 9 6 3 2 1 1 5 12 16 5 3 3 2 3 3 4 9 18 3 2 2 2 2 1 5 17 19 61 3 1 3 2 2 2 5 6 11 6 7 13 45 51 31 14 4 4 4 3 1 4 7 6 12 12 14 9 17 13 5 2 2 1 0 5 2 5 3 18 15 4 4 5 35 10 18 19 3 3 6 5 2 2 2 3 4 14 4 5 4 2 54 4 4 6 27 7 5 3 13 2 5 9 4 4 2 4 3 9 5 6 6 4 11 6 8 5 6 8 3 1 4 7 8 3 3 4 15 2 1 13 13 12 8 12 0 26 26 5 6 14 3 4 19 5 12 4 2 2 3 1 1 1 4 1 1 0 0 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 0 0 0 0 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 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 2 2 3 3 4 2 9 6 34 89 28 10 8 5 2 1 1 1 2 3 1 1 1 1 2 1 1 1 2 3 6 2 11 40 100 33 23 11 4 2 2 1 1 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 17 | 75 73 m 5H | 73 73 ddt 1H J 15 60 78 | 72 72 dt 2H J 9 90 | 69 68 m 2H | 68 68 t 1H J 19 | 68 67 dd 1H J 22 81 | 51 50 d 2H J 10 | 47 47 d 1H J 77 | 38 37 dp 1H J 44 77 | 36 36 t 2H J 8 | 29 28 ddd 2H J 53 81 126 | 25 24 ddd 2H J 53 81 126 | 21 21 dddd 2H J 44 54 82 126 | 19 18 dddd 2H J 43 53 81 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1ccc(NCc2cccnc2OC(C)(C)C)c(C(=O)c2ccc(C(C)C)cc2)c1
ir: 1 2 3 3 2 8 7 12 6 4 6 6 2 3 3 3 6 4 4 7 5 6 7 9 1 5 11 7 3 7 4 9 11 7 4 7 14 18 8 29 21 30 18 7 3 21 2 1 2 5 11 4 2 9 18 9 15 8 6 8 7 8 27 12 5 4 2 14 16 20 4 8 5 2 2 2 6 6 5 4 2 2 1 5 8 2 1 0 1 2 5 5 5 2 2 2 2 9 2 2 4 3 1 2 2 2 2 6 7 3 2 1 2 4 9 7 4 3 17 14 10 15 9 9 8 6 4 7 6 12 14 100 26 5 4 3 13 8 5 4 3 15 18 3 2 12 13 20 12 65 43 45 25 28 31 8 9 4 4 2 1 0 3 3 2 0 1 1 1 0 0 1 0 0 1 0 14 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 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 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 1 1 1 2 1 1 1 1 1 1 2 1 1 1 5 6 6 15 19 36 43 21 6 7 3 2 2 3 2 1 1 1 1 2 2 1 3 8 5 8 3 5 26 36 39 55 20 11 6 6 4 8 4 2 2 1 1 1 1 0 0 1 1 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: 83 82 dd 1H J 22 44 | 78 77 m 2H | 77 76 ddt 1H J 9 20 79 | 74 73 m 2H | 73 72 d 1H J 27 | 71 71 t 1H J 66 | 71 70 dd 1H J 44 79 | 70 70 d 1H J 89 | 69 69 dd 1H J 27 89 | 47 47 m 4H | 30 29 tt 1H J 63 74 | 25 25 t 1H J 26 | 15 14 s 7H | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSC(=N)Nc1cccc(CNC(=O)OC(C)(C)C)c1
ir: 4 6 9 5 9 7 3 3 10 8 22 4 4 5 4 13 7 5 8 12 5 11 41 9 13 21 44 64 36 43 46 30 16 16 9 9 11 9 5 9 2 2 2 1 3 5 30 39 12 2 4 2 2 0 2 6 2 1 2 2 4 1 2 3 2 1 2 8 10 4 5 22 6 3 1 2 1 1 2 2 2 3 3 1 1 1 1 1 1 1 5 2 1 1 2 2 2 2 8 12 8 8 13 16 10 7 4 8 3 3 2 2 1 1 2 3 3 2 4 9 8 6 6 13 7 6 5 5 1 4 4 5 5 3 2 2 3 2 3 6 15 37 24 33 18 37 55 13 4 12 6 1 4 20 3 1 11 6 3 0 1 2 5 5 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3 2 2 1 3 4 2 1 2 3 3 1 6 17 16 8 7 40 11 6 2 2 1 1 2 3 2 2 2 2 2 1 2 33 23 1 3 5 3 5 18 100 99 25 12 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 s 1H | 77 76 s 1H | 73 72 dd 1H J 75 83 | 72 71 tt 1H J 10 21 | 71 70 m 2H | 59 59 t 1H J 57 | 44 43 dt 2H J 8 55 | 30 29 t 2H J 51 | 17 16 qt 2H J 50 71 | 14 14 s 8H | 10 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccncc1N1CCc2cc(F)ccc2C1=O
ir: 3 1 1 3 2 3 8 5 2 2 7 5 8 11 14 19 5 2 2 3 3 1 14 2 2 2 9 8 2 4 3 1 3 18 5 4 4 18 2 2 3 11 17 48 9 19 2 4 1 0 1 4 4 1 6 19 6 2 3 2 1 1 2 3 5 2 3 25 20 15 8 2 11 5 33 32 1 3 2 1 1 1 2 2 1 1 6 3 7 14 43 18 6 2 2 2 1 1 3 5 4 2 3 3 1 1 3 2 5 5 4 18 26 17 7 4 5 3 3 2 2 15 4 3 2 40 3 10 7 3 2 5 7 26 7 4 1 3 68 3 2 3 4 20 4 2 2 4 6 3 2 2 10 12 44 29 4 3 2 9 28 6 6 2 2 2 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 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 2 1 1 1 1 2 2 2 2 2 2 3 4 4 1 2 3 2 2 2 8 7 6 12 100 52 14 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 13 | 81 81 dd 1H J 13 49 | 79 78 dd 1H J 50 88 | 72 71 ddd 1H J 24 87 103 | 70 69 m 2H | 41 40 m 2H | 31 30 tdd 2H J 8 20 48 | 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=C(O)CC1CCN(C2CCC2)CC1
ir: 1 2 2 5 3 1 2 1 1 2 5 5 13 3 3 2 2 6 13 18 26 61 39 9 5 4 2 0 1 2 1 1 2 1 1 0 0 1 1 1 1 1 1 1 1 1 4 1 1 1 1 0 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 0 1 1 1 2 2 1 1 3 3 9 13 6 2 2 1 3 4 4 6 4 5 5 3 3 4 3 1 1 1 2 4 3 3 4 5 5 2 2 8 7 4 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 2 2 2 1 2 3 3 7 13 7 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 3 1 1 1 2 1 1 1 2 5 4 3 1 1 1 1 1 1 1 2 6 48 100 30 0 1 1 0 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 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; 1HNMR: 29 29 m 3H | 27 26 ddd 2H J 58 85 120 | 23 22 d 2H J 78 | 21 19 m 1H | 20 19 ddt 2H J 59 85 125 | 19 17 m 4H | 17 16 ddt 2H J 59 85 126 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)COc1cccc(N)c1
ir: 34 20 9 6 3 6 5 3 4 2 2 1 1 1 4 3 3 2 5 3 1 2 1 2 2 2 2 2 5 9 15 22 25 7 3 4 6 2 2 2 1 0 1 2 2 10 12 6 17 4 3 4 1 0 4 6 4 1 1 1 2 1 2 2 4 6 5 5 4 2 12 3 2 0 0 1 2 3 4 2 5 8 15 11 5 1 0 0 0 0 1 1 1 4 1 1 0 1 1 1 1 2 2 1 1 1 1 1 0 6 5 4 3 1 1 1 1 1 1 1 1 2 5 8 4 4 1 1 1 2 1 0 0 0 1 1 0 1 1 3 5 7 7 24 18 7 8 16 7 3 7 10 34 33 34 15 5 17 21 5 4 17 37 11 18 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 2 1 1 3 2 4 5 5 6 12 33 13 2 1 2 1 0 0 1 0 0 0 1 1 1 1 3 19 49 29 24 10 9 23 12 25 23 2 1 33 100 43 20 4 2 3 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 t 1H J 80 | 67 66 ddd 1H J 12 21 82 | 65 65 q 1H J 49 | 64 63 t 1H J 22 | 61 61 ddd 1H J 12 22 79 | 46 45 s 2H | 39 39 s 2H | 29 28 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cl)C(=O)C(F)(F)F
ir: 64 40 44 19 28 9 14 23 26 24 7 12 14 9 5 12 17 29 58 38 28 36 60 31 44 25 16 18 13 4 6 16 45 8 8 15 18 9 23 20 14 10 13 15 17 19 14 21 15 1 9 15 7 2 9 13 13 3 14 21 7 0 10 38 17 16 7 10 7 3 15 22 32 20 35 47 18 4 7 10 5 4 8 8 5 4 8 9 7 5 10 11 8 15 17 21 28 100 79 79 37 33 49 18 3 9 13 13 3 30 64 36 37 45 58 52 15 23 29 9 1 26 45 52 39 21 25 12 21 13 17 4 3 8 11 4 3 9 11 8 9 16 24 27 41 42 36 8 7 10 8 2 4 9 6 2 4 9 6 1 4 10 6 1 4 10 6 0 5 11 5 0 5 10 5 1 6 10 5 1 6 9 4 1 6 9 4 2 7 9 3 2 7 8 3 2 7 8 3 3 8 7 2 3 8 7 2 3 8 7 2 4 9 7 1 4 9 6 1 5 9 6 1 5 9 5 1 5 10 5 1 6 10 5 1 6 9 5 2 6 9 4 1 7 8 4 2 7 8 3 3 7 8 3 3 7 8 3 3 8 8 3 4 9 7 3 5 10 12 6 7 11 10 3 6 19 11 1 15 58 34 31 30 28 24 12 8 10 7 4 7 9 5 3 6 8 4 2 6 8 5 2 6 8 4 3 6 7 4 3 7 7 3 3 7 7 3 3 7 7 3 4 8 6 3 4 8 6 2 4 8 6 2 5 8 6 2 5 8 5 2 5 9 5 2 5 8 5 2 6 8 5 2 6 8 4 2 6 8 4 3 6 7 4 3 7 7 4 3 7 7 3 4 7 7 3 4 7 6 3 4 7 6 3 4 8 6 3 4 8 6 2 5 8 5 2 5 8 5 2; 1HNMR: 52 51 q 1H J 14 | 43 42 qd 2H J 35 63 | 13 13 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)N2
ir: 12 13 6 8 8 3 1 4 10 15 7 4 6 6 2 3 3 2 1 2 6 4 2 3 5 1 1 3 3 4 9 11 3 3 4 4 4 4 17 24 24 21 2 5 4 0 1 5 3 2 2 5 3 1 4 7 2 1 6 5 2 4 6 5 4 4 5 4 4 15 6 6 3 1 4 5 3 2 7 7 2 2 4 6 2 1 4 4 3 4 14 4 1 2 3 3 3 8 5 3 1 2 5 4 8 4 6 4 4 2 4 5 2 7 4 7 3 5 10 19 10 10 10 25 27 15 9 15 12 15 5 5 2 3 11 8 15 9 9 2 2 3 4 12 15 21 20 16 5 4 3 1 2 3 4 8 2 4 2 1 2 3 2 0 6 4 2 0 2 3 2 0 3 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 8 5 3 2 4 7 6 5 4 8 13 9 10 13 22 16 35 100 21 14 7 5 3 1 3 5 2 1 3 3 2 2 3 3 2 6 44 10 6 4 7 5 18 8 7 9 2 3 3 3 1 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 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 3 2 0; 1HNMR: 75 75 s 1H | 73 72 m 5H | 68 68 q 1H J 51 | 59 58 d 1H J 81 | 49 49 dt 1H J 47 82 | 38 37 s 2H | 33 32 ddd 1H J 60 88 167 | 32 31 ddd 1H J 62 88 167 | 29 29 d 3H J 51 | 25 25 s 2H | 24 23 dddd 1H J 47 60 86 134 | 21 20 dddd 1H J 47 60 88 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1cc(N2CCC[C@@H](NC(=O)CNc3cc(Cl)cc(Cl)c3)C2)ncn1
ir: 7 5 8 9 13 15 26 12 10 11 7 12 10 7 8 8 11 8 10 14 7 5 2 3 4 2 2 4 12 7 13 13 8 11 18 62 38 26 27 9 7 9 5 2 3 5 2 2 4 4 4 2 7 3 2 1 2 2 2 4 8 7 9 22 36 47 43 15 8 2 5 17 12 4 3 3 2 2 3 3 8 1 2 2 2 4 6 11 2 3 4 6 2 2 4 8 3 4 4 4 5 5 8 6 8 5 3 6 31 16 8 8 8 6 5 2 3 13 8 12 3 4 7 6 5 7 10 6 2 5 7 8 4 6 4 5 19 7 4 13 40 19 44 29 36 83 20 13 14 5 4 2 1 4 2 0 1 6 20 5 18 85 42 15 8 4 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 2 2 3 2 2 3 3 3 3 5 8 6 10 11 30 11 4 2 2 1 1 1 2 2 1 2 1 1 1 2 2 3 5 5 6 22 36 100 40 10 15 3 2 1 3 2 0 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 82 82 d 1H J 14 | 71 71 t 1H J 21 | 67 67 d 2H J 22 | 67 66 d 1H J 95 | 63 63 t 1H J 60 | 57 57 m 2H | 43 42 dhept 1H J 59 73 | 40 39 m 3H | 38 38 dd 1H J 31 136 | 36 35 m 2H | 35 34 m 1H | 20 19 m 2H | 19 17 m 1H | 16 15 m 1H | 12 12 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCCC2CCN(CCCc3ccc(F)cc3)CC12
ir: 4 2 1 3 2 1 1 2 5 3 3 2 3 1 3 3 5 2 0 1 1 2 4 4 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 3 1 3 1 2 1 1 1 3 3 2 4 7 6 14 14 30 25 16 28 41 40 82 21 16 40 15 8 4 7 4 4 0 10 5 4 12 8 6 4 3 57 13 7 4 1 6 6 9 0 8 9 3 2 5 5 3 2 5 5 2 4 6 5 6 2 1 4 3 2 5 3 4 6 6 3 3 4 5 7 5 4 2 2 4 4 4 6 4 7 6 20 22 35 100 51 21 15 8 6 5 2 3 1 1 2 4 6 11 16 6 3 3 4 2 2 2 1 1 0 0 1 3 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 2 2 4 1 3 2 3 4 4 4 7 6 8 16 14 8 5 2 2 5 4 2 2 2 3 3 4 7 16 45 20 15 4 3 4 7 25 58 5 5 2 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 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; 1HNMR: 72 71 ddt 2H J 9 35 82 | 71 70 m 2H | 30 30 qt 1H J 44 55 | 29 27 m 2H | 27 26 m 3H | 26 25 m 3H | 20 19 dp 1H J 52 77 | 19 15 m 9H | 15 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c3c(nn2c(C)c1Cl)CN(C(=O)c1ccc(F)cc1OC1CCNCC1)C3
ir: 1 2 1 1 7 1 4 1 1 1 2 1 6 7 1 8 2 2 0 1 2 2 2 5 2 7 2 1 6 5 1 2 2 2 8 20 10 8 3 5 4 2 12 0 1 1 1 1 1 7 8 1 2 2 20 15 3 3 1 1 1 3 1 3 4 3 3 27 7 4 5 2 1 1 2 4 4 4 4 3 4 1 1 0 0 0 2 1 1 1 1 1 1 3 1 2 1 0 0 0 0 1 0 2 1 1 1 1 4 5 8 8 13 6 11 17 17 5 11 14 2 2 3 4 2 9 4 3 10 13 3 39 13 6 2 1 1 0 1 25 2 3 1 20 0 1 1 1 5 1 14 4 7 6 1 1 5 2 1 1 1 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 1 1 1 1 1 1 2 2 1 1 3 1 1 3 7 14 3 7 100 17 3 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 3 8 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 50 87 | 71 70 ddd 1H J 22 86 106 | 68 68 dd 1H J 21 121 | 50 50 s 2H | 49 48 s 2H | 45 45 m 2H | 32 31 dddd 2H J 29 39 55 134 | 30 29 dddd 2H J 29 38 57 134 | 26 26 s 2H | 25 25 s 2H | 22 21 dddd 2H J 29 49 57 137 | 19 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
ir: 1 1 1 2 3 1 1 1 1 1 2 2 2 2 1 3 3 3 5 1 2 3 7 6 3 2 2 2 1 4 6 4 3 6 4 3 3 5 13 20 28 100 37 23 5 2 2 1 2 1 2 3 2 9 12 6 5 9 4 3 1 1 1 1 1 2 3 2 9 17 7 4 1 0 1 3 1 1 3 3 1 0 2 2 1 1 1 2 7 4 3 2 1 1 1 1 1 1 12 4 2 1 1 1 1 2 2 1 1 1 1 2 3 2 3 2 1 1 3 1 0 2 2 3 1 1 1 1 2 1 4 2 1 2 4 7 18 33 21 52 12 4 11 30 35 9 4 9 11 21 12 11 22 6 14 5 7 5 2 1 2 1 6 8 1 1 1 1 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 0 1 1 1 1 3 3 8 6 18 80 31 8 6 5 3 1 1 1 1 1 1 1 1 1 1 1 2 1 3 4 9 6 11 97 17 15 6 3 2 1 2 1 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 86 86 dd 1H J 17 41 | 81 81 d 1H J 21 | 79 78 m 2H | 79 78 td 1H J 17 74 | 76 75 m 2H | 74 73 m 2H | 73 72 d 1H J 73 | 70 69 m 2H | 52 52 d 2H J 10 | 31 30 dp 1H J 47 73 | 24 23 d 3H J 11 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cscc1C#N
ir: 5 3 0 3 6 4 1 4 5 3 2 4 6 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 5 2 7 6 6 3 13 10 15 2 2 5 4 1 2 5 3 1 2 5 3 1 3 6 5 3 8 20 17 16 11 10 6 6 17 7 5 2 3 6 4 2 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 5 4 1 2 4 4 1 2 4 4 1 2 5 4 1 7 14 4 2 3 5 3 1 3 5 3 1 4 5 5 1 3 5 3 1 3 5 3 1 3 7 3 1 4 5 2 2 4 7 7 14 9 19 7 4 5 5 4 2 6 4 2 11 7 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 4 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 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 3 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 1 4 7 5 0 4 12 16 100 17 1 6 5 4 6 4 5 5 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 75 d 1H J 16 | 64 64 d 1H J 16 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H](c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](O)c1ccc(OC(F)(F)F)cc1
ir: 8 15 1 11 8 7 3 8 5 7 5 9 17 32 8 7 11 10 14 7 17 11 5 18 5 1 1 3 6 3 3 2 3 1 1 3 3 4 1 3 2 1 5 5 3 4 3 2 3 2 3 6 3 13 28 54 43 15 15 11 3 1 6 5 2 2 4 4 3 27 8 3 2 2 3 4 2 2 4 3 1 1 4 10 9 12 34 33 37 21 25 28 11 3 18 54 20 22 34 87 19 94 21 6 9 3 3 4 11 6 3 7 6 2 0 8 29 59 37 9 9 9 18 9 13 6 20 13 7 6 8 14 4 3 2 2 1 1 1 1 1 3 14 51 17 17 4 11 41 11 8 9 18 9 5 3 1 2 1 0 1 2 2 2 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 5 2 2 4 3 3 3 3 3 5 7 6 21 35 16 28 100 45 11 8 7 5 5 5 57 17 3 2 3 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 2H | 73 72 m 7H | 52 51 m 1H | 33 32 d 1H J 53 | 32 31 tdd 1H J 9 70 78 | 20 19 ddt 1H J 62 71 133 | 17 16 ddt 1H J 62 70 132 | 16 16 s 7H | 16 14 m 1H | 14 13 m 1H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCNCC(O)COc1ccccc1
ir: 1 2 4 1 1 2 2 1 1 1 2 1 1 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 0 2 2 1 1 1 0 1 1 1 1 2 9 3 5 2 4 4 2 2 2 3 8 7 2 4 3 1 4 5 2 3 2 7 6 3 7 7 5 11 9 21 9 13 7 15 11 7 2 3 3 2 3 5 1 2 2 2 4 5 11 10 8 4 5 2 1 1 2 2 1 1 2 1 2 1 3 2 6 4 13 16 2 1 2 1 5 6 2 1 1 1 2 2 2 3 4 1 1 2 1 3 1 4 14 7 2 6 5 2 1 1 1 1 1 4 3 1 1 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 5 14 5 4 3 1 3 4 9 100 65 3 2 3 3 3 8 8 3 2 6 22 21 42 40 4 2 2 1 1 0 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 70 70 m 3H | 42 41 dp 1H J 50 60 | 41 40 dd 1H J 50 128 | 40 40 tt 1H J 48 66 | 40 39 d 1H J 57 | 39 38 dd 1H J 50 127 | 31 30 ddd 1H J 49 66 132 | 29 27 m 5H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2ncccc2C=CC(=O)c2ccc(OC)c(OC)c2)cc1
ir: 4 2 2 4 3 4 3 4 1 2 8 10 5 3 2 7 11 4 4 3 4 7 2 6 5 5 2 4 5 4 5 3 3 1 4 5 10 18 4 25 32 12 4 5 4 4 3 4 16 10 32 9 12 0 12 24 33 12 4 4 4 6 18 17 9 4 3 4 5 5 3 5 2 1 3 3 1 2 2 2 2 2 3 20 13 4 3 9 2 1 6 8 5 3 3 3 6 2 3 3 2 3 3 6 15 14 16 3 4 2 1 2 1 3 3 3 7 5 1 3 2 3 4 5 5 3 3 3 2 2 2 1 1 3 8 9 8 3 6 24 16 9 18 9 10 9 4 17 7 13 18 24 8 15 28 38 39 7 4 2 3 18 2 7 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 3 3 9 25 35 100 55 26 11 9 3 2 2 1 2 2 1 1 1 1 1 2 2 1 2 2 5 3 3 11 23 44 16 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 83 83 dd 1H J 21 41 | 80 79 m 2H | 77 76 dd 1H J 20 82 | 76 75 m 2H | 73 72 m 3H | 70 69 m 3H | 39 38 d 6H J 86 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCc1ncnc2scc(-c3ccc(F)cc3)c12
ir: 6 3 2 1 2 1 2 6 3 3 6 9 4 5 3 6 5 4 13 17 43 7 6 4 3 10 3 4 4 9 30 6 9 4 36 9 6 40 19 64 65 7 12 9 23 8 12 4 6 5 13 10 7 12 23 79 29 18 8 7 7 6 5 14 17 10 6 2 18 7 21 20 7 14 3 3 2 4 2 3 5 3 4 2 2 5 39 11 9 9 7 5 5 5 12 15 15 21 4 4 4 5 14 6 4 2 1 3 2 5 31 20 7 12 9 7 5 5 3 4 13 23 25 15 9 9 8 5 3 2 3 5 8 4 3 5 5 26 8 4 12 13 3 5 6 9 100 9 4 11 18 41 20 0 4 26 38 9 4 3 2 1 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 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 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 2 2 2 2 2 2 1 2 2 4 4 4 3 5 4 7 13 22 12 15 18 6 24 86 50 33 9 17 10 11 17 8 7 7 3 1 2 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 1 1 1 1; 1HNMR: 87 86 s 1H | 75 75 m 2H | 73 72 s 1H | 72 72 m 2H | 59 58 m 1H | 52 51 ddt 1H J 13 24 163 | 50 49 m 1H | 29 29 td 2H J 10 78 | 25 24 qt 2H J 14 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COP(=O)(Cl)OC1c1ccccc1Cl
ir: 6 3 4 5 9 11 1 5 5 3 1 4 5 4 1 4 5 3 8 9 19 14 1 5 5 2 2 5 5 2 2 4 4 1 3 5 4 1 3 18 34 75 17 33 75 1 7 6 5 5 5 6 4 1 3 6 5 17 36 15 5 2 6 39 8 11 10 7 3 4 6 19 6 4 14 13 10 14 52 100 2 11 25 8 3 2 6 6 7 6 11 10 8 11 12 14 7 3 6 5 13 5 6 6 2 3 6 4 0 3 6 3 0 7 7 4 1 4 7 6 10 7 14 12 1 5 7 11 5 5 6 6 4 5 5 10 20 8 5 2 2 7 10 5 2 5 5 8 35 9 5 1 2 5 4 1 2 5 8 1 3 5 4 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 4 5 2 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 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 2 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 5 8 4 1 3 11 6 3 4 6 4 3 9 17 17 9 22 74 36 5 5 5 3 3 4 5 3 2 3 4 3 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 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1; 1HNMR: 74 73 m 2H | 73 73 m 1H | 73 72 td 1H J 17 77 | 55 54 dddd 1H J 10 20 34 84 | 43 42 m 1H | 41 40 m 1H | 11 10 d 3H J 16 | 10 10 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CNc2cc(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c2)cc1
ir: 4 17 13 26 20 21 13 10 4 6 14 7 8 7 14 7 5 4 2 1 2 2 5 6 2 4 2 6 6 4 1 6 10 15 15 24 3 3 2 2 1 6 1 2 3 7 3 3 7 0 5 10 20 8 26 29 25 19 6 2 2 4 3 6 29 39 49 16 5 9 3 5 3 5 8 3 2 2 1 2 3 2 1 1 3 3 4 7 10 3 1 2 2 2 1 4 7 7 8 3 6 4 1 3 3 13 13 3 10 26 19 12 11 10 8 16 15 8 8 5 9 10 4 6 6 5 3 5 14 18 4 6 5 7 8 5 5 10 37 5 3 4 8 26 14 100 8 9 13 8 3 2 2 1 4 14 94 11 5 4 4 8 43 6 5 9 6 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 1 2 2 1 4 3 5 15 9 14 34 30 19 5 4 3 4 2 2 1 2 2 1 2 3 2 4 8 4 42 40 15 11 26 37 57 36 20 7 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 d 1H J 51 | 78 78 dd 1H J 22 51 | 75 74 ddt 2H J 9 35 77 | 72 71 m 4H | 59 59 m 3H | 46 46 dt 2H J 9 53 | 36 36 m 4H | 34 34 dp 1H J 51 73 | 27 27 m 4H | 19 18 m 3H | 17 16 m 2H | 16 15 m 2H | 16 15 m 1H | 15 14 m 1H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
ir: 4 5 7 7 12 6 7 7 4 7 4 4 9 9 9 46 12 11 31 29 40 40 56 46 5 6 9 4 9 25 23 33 11 13 9 6 7 11 20 15 12 50 17 12 5 4 5 2 2 3 2 2 1 2 2 2 3 3 4 2 1 1 4 6 2 1 5 7 16 4 4 3 11 3 9 8 18 53 72 14 12 9 4 7 28 19 4 3 6 8 12 1 2 2 3 1 1 3 2 2 4 2 0 2 4 1 2 2 3 2 2 1 5 5 3 7 5 11 5 6 6 5 9 12 5 6 1 4 1 4 3 4 3 3 10 27 16 22 4 7 28 14 43 65 44 15 5 6 11 62 24 3 2 4 2 1 1 3 1 1 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 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 1 1 1 0 1 1 1 1 1 2 1 3 1 2 4 2 6 9 6 5 14 17 21 100 44 13 7 3 2 1 3 4 1 85 18 4 1 1 1 0 1 1 1 1 2 1 3 15 64 17 10 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 77 76 m 2H | 76 75 td 2H J 13 77 | 74 74 td 2H J 14 78 | 74 73 m 5H | 62 62 d 1H J 95 | 46 46 d 1H J 118 | 45 45 d 1H J 117 | 44 44 d 2H J 48 | 43 42 m 3H | 13 12 dd 3H J 17 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCN(c2ccc(CSc3nc(C)cc(O)n3)c(Cl)n2)CC1
ir: 1 1 1 1 3 9 12 4 5 5 1 2 1 2 8 3 4 3 6 9 6 5 3 1 1 1 1 3 1 1 1 1 2 1 3 3 2 1 1 1 2 5 3 2 1 2 1 1 2 4 11 6 5 3 10 2 3 2 3 2 1 3 5 7 4 7 5 1 4 8 3 2 28 49 12 7 1 1 2 2 11 2 8 4 6 1 1 2 1 1 2 1 1 1 2 1 3 3 3 9 4 9 3 2 2 5 1 1 0 1 1 2 5 2 1 1 1 1 1 1 3 2 3 2 2 2 2 2 2 2 1 1 1 2 1 1 1 2 4 7 14 11 14 3 10 2 1 1 2 3 2 28 7 2 2 20 41 20 4 30 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 2 1 1 1 1 0 1 4 5 3 4 100 11 5 1 1 1 2 1 2 8 39 67 9 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dt 1H J 9 81 | 67 66 d 1H J 80 | 59 58 s 1H | 45 44 d 2H J 7 | 37 36 m 4H | 29 28 m 5H | 25 24 q 2H J 71 | 24 23 s 3H | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cnc2cc(-c3cnc(N)nc3)ccc2c1Nc1cccc(C(=O)O)c1
ir: 1 1 0 1 2 1 2 1 1 1 2 3 3 4 1 3 9 3 2 1 1 1 6 14 1 2 5 2 2 2 2 2 4 2 2 5 21 9 2 2 2 6 6 3 2 1 1 2 4 3 11 1 1 1 1 0 4 3 1 2 1 1 0 0 0 0 1 0 3 9 3 1 2 1 0 1 1 3 4 0 1 1 1 1 1 1 0 1 1 4 1 1 1 2 1 4 5 1 0 1 1 1 0 0 1 1 5 1 3 8 1 0 1 0 0 1 1 2 2 2 1 1 0 2 2 2 2 1 1 1 0 0 1 1 0 0 1 1 2 6 1 8 2 4 11 16 19 6 4 2 3 2 3 3 11 2 7 6 30 3 13 3 1 2 6 1 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 0 0 0 0 0 0 0 1 1 1 1 1 1 1 3 8 5 2 0 1 1 0 0 0 8 28 2 0 1 0 1 1 10 11 3 1 2 2 3 10 10 5 2 2 5 7 100 4 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 88 88 s 1H | 86 86 s 2H | 83 83 d 1H J 84 | 83 83 d 1H J 21 | 82 81 dd 1H J 22 84 | 78 78 s 2H | 78 78 ddd 1H J 11 22 79 | 77 76 t 1H J 21 | 74 73 t 1H J 80 | 71 71 ddd 1H J 12 22 79 | 66 66 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccn([C@@H]2CCc3ccccc32)c1=O
ir: 1 2 2 2 2 3 1 1 2 2 1 1 1 3 4 5 2 4 2 2 2 5 4 14 36 3 2 2 3 1 1 2 2 1 2 2 2 1 1 2 2 3 4 6 66 12 4 1 2 3 2 15 3 2 1 1 1 1 1 1 2 2 1 1 1 2 1 2 2 2 2 2 1 1 2 3 1 10 16 7 2 3 3 2 2 3 1 3 4 2 3 6 3 2 1 2 1 1 3 2 1 2 2 1 1 1 1 1 1 1 2 2 3 3 2 1 2 2 3 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 15 2 8 12 10 2 1 1 10 3 2 4 61 2 2 2 1 1 2 2 4 6 2 1 3 3 32 2 0 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 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 2 4 3 1 6 7 7 14 9 4 2 1 2 3 4 100 2 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 13 77 | 77 76 dt 1H J 15 75 | 73 72 m 3H | 72 71 ddd 1H J 20 73 82 | 69 69 m 1H | 52 51 dddt 1H J 10 21 48 66 | 30 29 dddd 1H J 8 53 71 144 | 29 28 m 1H | 24 23 dddd 1H J 46 54 71 126 | 22 21 dddd 1H J 53 64 71 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H](/C=N\OCCN)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ir: 8 3 5 4 2 3 2 2 2 3 3 2 1 2 2 1 1 1 3 2 1 1 2 1 1 2 1 2 2 2 1 2 1 2 1 1 1 1 1 0 2 1 2 2 7 9 7 1 2 3 2 0 1 2 2 2 3 6 5 6 10 7 4 8 8 5 5 4 6 22 8 8 22 10 12 11 12 7 10 4 3 12 9 7 10 27 22 18 25 20 23 9 6 8 4 2 2 4 3 2 1 2 1 2 5 7 6 3 5 2 3 5 5 7 7 5 6 5 2 4 4 6 6 6 6 3 6 7 2 6 4 7 27 24 28 4 2 5 3 2 2 1 1 1 1 0 1 1 1 1 1 1 2 4 3 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 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 1 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 10 7 3 4 6 4 5 9 7 17 11 2 2 2 1 3 5 7 4 31 93 17 4 4 9 11 7 13 27 9 10 8 11 11 71 100 9 11 6 3 1 3 3 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 dp 1H J 9 82 | 42 41 t 2H J 38 | 39 38 m 1H | 37 36 dddt 1H J 16 35 55 71 | 36 36 d 1H J 53 | 31 30 tt 2H J 38 64 | 29 28 d 1H J 53 | 27 25 ddddd 1H J 25 41 57 82 110 | 22 22 t 2H J 64 | 21 20 ddddd 1H J 17 38 68 86 134 | 20 18 m 2H | 18 13 m 15H | 12 11 ddd 1H J 66 93 130 | 11 11 m 1H | 9 9 s 2H | 9 8 m 1H | 8 8 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC
ir: 21 7 8 11 14 6 14 11 11 7 14 5 6 12 12 10 5 10 7 2 3 1 6 8 3 2 3 9 6 10 11 4 1 5 3 1 3 15 35 72 46 12 2 5 3 5 7 5 5 10 9 10 9 19 18 40 31 8 5 3 3 2 4 11 7 6 20 7 19 22 6 5 13 6 14 19 14 3 5 2 2 0 2 1 0 1 3 16 14 9 2 2 1 1 5 1 5 11 15 11 4 7 4 2 4 5 3 4 16 7 5 5 4 3 6 5 4 8 19 11 16 10 9 3 4 13 8 3 8 4 5 3 2 3 8 10 9 2 1 1 2 3 15 28 11 68 28 7 23 6 11 2 11 4 2 4 1 0 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 4 4 2 3 7 2 2 4 5 11 7 13 21 18 75 100 26 14 7 4 3 2 3 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 73 m 1H | 71 71 dq 2H J 9 84 | 69 68 m 2H | 51 50 d 2H J 9 | 42 41 t 1H J 67 | 37 37 s 2H | 36 36 dt 1H J 63 114 | 35 34 dt 1H J 63 114 | 31 31 ddt 1H J 9 69 142 | 29 28 ddt 1H J 9 68 141 | 16 15 m 2H | 14 12 m 7H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.