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CC(C)(N)CCCNC(=O)OC(C)(C)C
ir: 3 3 2 4 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 3 9 5 4 1 2 2 1 1 1 1 3 3 2 1 1 1 1 1 0 1 2 1 1 1 2 3 3 6 3 4 16 10 6 11 6 4 3 8 3 7 8 3 1 1 1 2 4 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 3 3 2 2 2 3 3 1 2 2 1 0 2 4 3 1 2 3 2 2 2 3 2 1 2 3 5 1 5 2 3 7 3 2 5 6 13 9 8 8 36 18 3 3 2 2 0 1 2 4 3 20 20 6 2 1 14 11 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 1 1 1 2 3 5 6 7 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 11 17 7 3 2 1 0 4 53 100 20 12 5 4 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 49 49 t 1H J 41 | 31 30 td 2H J 41 52 | 17 16 m 2H | 16 16 s 2H | 15 14 d 2H J 73 | 14 14 s 10H | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1ccc(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1)c1ccc(Cl)cc1Cl
ir: 1 5 11 21 17 21 30 15 18 13 6 4 3 11 14 13 3 12 15 7 9 3 2 3 5 4 20 9 4 4 4 3 9 20 41 20 12 5 7 5 13 9 3 5 5 12 9 4 3 3 5 3 6 38 58 81 17 3 4 4 7 19 5 12 27 15 17 12 7 23 2 3 6 3 2 3 4 11 33 21 5 12 23 25 32 39 22 16 14 13 21 40 8 13 3 8 22 20 7 16 16 12 3 5 3 2 3 2 3 6 6 5 4 2 2 3 3 6 1 17 5 7 20 17 16 29 14 7 7 5 2 5 4 3 0 4 17 30 11 2 2 2 1 5 2 11 5 6 10 44 18 10 13 4 3 3 2 2 10 24 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 2 2 2 2 2 1 3 6 14 7 57 78 29 10 6 2 3 3 2 1 1 2 1 1 1 2 1 1 1 1 2 1 2 2 2 6 12 100 76 3 6 4 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; 1HNMR: 83 83 d 1H J 19 | 79 78 d 1H J 94 | 78 78 m 2H | 77 77 d 1H J 21 | 77 76 dd 1H J 19 76 | 75 74 m 3H | 71 71 d 1H J 76 | 30 29 m 4H | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOC(CN(C)C)C3)c(F)c21
ir: 6 10 4 5 5 3 2 4 5 4 3 11 5 6 7 10 8 4 4 6 6 5 3 10 56 29 3 6 8 5 3 4 6 3 3 5 5 5 3 6 7 1 2 5 4 8 20 25 13 6 4 6 4 0 2 5 2 0 3 5 5 5 6 6 5 5 8 9 17 6 5 4 3 3 7 7 7 14 61 18 4 1 5 5 2 3 13 8 6 5 5 12 5 9 6 6 6 12 9 7 7 4 5 6 7 10 6 6 3 4 4 3 2 3 7 4 3 7 7 3 1 3 4 3 2 3 7 2 2 10 11 12 5 4 4 4 3 9 6 3 3 4 3 3 11 38 3 9 23 12 5 1 2 4 5 1 2 5 3 1 4 12 6 3 3 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 3 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 4 0 3 5 7 0 4 9 7 2 21 4 3 2 3 4 7 100 17 3 2 1 2 3 2 2 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 90 89 t 1H J 9 | 80 79 d 1H J 121 | 44 43 qd 2H J 9 79 | 41 41 tt 1H J 32 40 | 40 39 ddd 1H J 37 59 100 | 38 37 m 2H | 36 35 m 2H | 33 33 dd 1H J 32 116 | 29 28 dd 1H J 40 117 | 27 26 dd 1H J 42 117 | 24 23 s 5H | 14 14 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(NCCCCCCCCCCCO)cc1
ir: 7 7 7 7 3 23 19 15 9 13 16 12 18 5 9 4 4 4 3 5 4 3 3 3 3 3 3 3 3 3 2 3 5 9 7 6 4 5 4 8 3 3 3 3 3 3 3 3 4 5 3 4 5 5 47 38 23 12 6 8 6 4 3 2 4 2 3 4 3 7 5 4 4 5 3 5 4 6 4 7 7 3 4 5 5 9 11 25 24 23 23 10 9 5 8 4 3 4 3 3 4 4 3 9 13 13 19 12 4 6 5 5 4 7 5 5 19 25 9 10 3 7 11 12 9 6 4 6 4 6 2 4 4 3 2 4 6 6 15 16 17 7 5 9 36 13 5 3 3 2 4 13 15 100 19 1 2 4 3 0 2 4 2 5 20 5 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 3 3 3 3 5 5 8 5 4 4 4 3 4 3 5 12 12 15 14 45 24 19 4 3 4 4 8 5 4 2 3 3 2 3 3 3 2 5 4 10 4 11 25 58 76 28 10 3 3 3 4 3 3 3 3 3 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 77 m 2H | 66 66 m 2H | 45 44 t 1H J 48 | 44 44 q 2H J 64 | 36 35 q 2H J 58 | 32 32 m 2H | 27 27 t 1H J 59 | 16 15 m 4H | 14 13 m 4H | 14 13 m 2H | 13 13 m 2H | 13 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(Cl)nc(N[C@H]2CC[C@@H](C(=O)NCc3ccccc3C(F)(F)F)CC2)n1
ir: 6 3 4 2 3 3 4 2 2 4 2 4 6 2 7 3 2 3 2 1 2 2 1 2 1 1 2 1 1 1 1 2 2 6 6 13 29 5 4 5 2 2 19 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 7 23 35 5 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 7 3 1 1 1 1 1 3 2 5 2 1 0 1 1 1 2 11 4 3 4 2 1 2 1 4 1 3 4 4 2 1 3 3 2 2 2 1 2 3 1 1 2 1 1 1 3 4 1 4 16 12 12 3 3 19 41 16 15 5 2 1 1 1 1 1 1 4 100 6 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 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 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 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 1 4 7 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 5 5 15 21 26 24 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dp 1H J 14 104 | 75 74 m 3H | 73 72 td 1H J 14 71 | 62 61 q 1H J 48 | 59 59 s 1H | 56 56 d 1H J 82 | 47 46 m 2H | 37 36 m 1H | 30 29 d 3H J 48 | 24 23 dddd 1H J 27 47 58 98 | 20 19 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.
CCC(C)OCCOc1ccc(C(=O)O)cc1
ir: 1 2 8 5 1 5 7 1 2 3 6 5 7 21 8 11 14 16 9 11 26 70 96 24 4 7 3 2 2 3 6 7 10 9 2 1 2 1 1 1 1 3 3 2 2 3 2 5 2 2 4 4 4 12 54 100 22 12 3 0 2 5 2 1 3 3 5 9 4 9 16 10 5 5 22 25 13 11 49 79 15 14 6 3 2 1 2 6 16 4 3 1 1 2 4 4 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 5 6 10 50 22 8 3 4 4 13 5 3 3 6 11 3 4 2 1 2 1 1 1 2 1 1 1 2 4 5 26 61 15 5 2 2 4 15 7 22 16 4 3 1 1 1 1 0 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 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 2 2 1 2 2 4 3 2 2 1 2 2 3 3 5 9 8 7 70 10 4 3 2 1 1 1 1 22 49 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: 79 78 m 2H | 70 70 m 2H | 41 40 m 2H | 39 38 dt 1H J 52 117 | 38 37 dt 1H J 52 117 | 35 35 dddp 1H J 15 48 63 94 | 17 16 dqd 1H J 47 81 128 | 14 13 dqd 1H J 48 82 130 | 12 12 d 3H J 62 | 9 9 td 3H J 15 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Sc1c(C)cccc1C(=O)N(CC(=O)OC(C)(C)C)C1CCCC1
ir: 8 6 4 5 4 24 10 9 3 7 13 10 2 7 5 6 2 10 5 2 1 4 5 2 2 4 5 4 7 10 7 4 5 3 7 7 3 29 51 21 37 11 37 9 13 11 19 84 12 3 8 8 6 9 4 2 2 4 5 3 5 14 8 1 4 7 15 5 8 6 3 4 3 3 7 13 3 5 1 2 3 6 2 2 3 4 14 26 16 8 3 3 4 6 3 4 14 15 5 4 4 5 3 6 6 12 10 13 10 16 12 13 14 9 6 8 4 15 21 21 36 44 40 65 16 12 10 14 18 13 18 17 16 11 6 12 44 70 19 7 12 3 5 17 100 42 13 7 42 18 4 5 3 1 2 8 3 4 7 4 2 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 2 2 2 2 4 9 3 4 4 5 5 13 10 7 3 13 13 13 22 53 58 23 44 64 14 7 3 4 3 3 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 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3; 1HNMR: 78 78 dd 1H J 11 77 | 74 74 m 1H | 73 72 t 1H J 76 | 41 41 s 2H | 38 37 p 1H J 49 | 25 25 s 3H | 24 24 d 3H J 7 | 22 21 m 2H | 19 18 m 2H | 18 16 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(N)c1ccc(Cl)cc1F
ir: 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 3 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 4 2 3 3 4 33 21 2 4 2 1 4 5 13 15 2 1 1 2 2 3 7 31 3 1 3 5 5 2 1 1 1 1 2 1 1 1 2 2 1 3 12 12 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 2 1 1 1 1 2 2 1 2 1 2 3 1 1 2 2 5 10 34 22 4 2 1 1 1 1 1 2 4 1 1 1 1 10 8 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 7 8 3 2 2 2 2 1 1 1 1 1 1 1 2 15 25 9 2 3 0 0 8 100 79 6 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; 1HNMR: 75 75 ddd 1H J 7 47 73 | 73 73 dd 1H J 21 121 | 73 72 dd 1H J 21 73 | 52 52 m 1H | 25 25 d 2H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(Br)cc23)CC1
ir: 2 3 2 3 3 3 6 2 4 12 3 1 4 4 1 1 2 7 2 2 1 2 2 2 2 2 2 1 1 4 2 2 3 7 2 8 3 2 6 4 5 13 5 11 7 2 2 3 3 22 2 4 2 1 3 14 91 2 5 3 2 3 7 3 2 2 2 4 28 2 6 2 4 4 4 4 1 5 3 2 3 1 5 2 1 49 4 3 2 3 3 7 3 3 2 4 1 2 1 3 4 6 27 8 4 3 7 7 2 4 7 4 5 2 3 1 2 4 4 6 5 13 4 9 5 4 7 6 2 4 3 2 2 2 3 6 7 7 7 4 3 1 2 2 2 12 3 2 18 24 3 100 4 2 2 8 4 0 3 38 1 2 1 1 1 4 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 3 3 1 1 2 1 2 2 2 2 2 2 1 11 13 10 9 8 6 15 4 3 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 3 7 8 7 12 34 18 6 5 11 4 3 2 1 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 82 82 d 1H J 24 | 79 79 d 1H J 82 | 77 77 dd 1H J 26 82 | 71 71 d 1H J 75 | 35 34 m 1H | 34 33 s 2H | 27 26 m 1H | 26 25 q 4H J 72 | 20 19 m 2H | 18 17 m 2H | 16 15 m 4H | 11 10 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(Cl)nc3)nc21
ir: 6 4 6 10 7 7 3 9 5 5 1 7 22 7 2 5 11 7 2 5 9 56 7 4 7 7 13 5 11 18 24 36 16 8 31 18 21 17 26 13 9 5 4 4 5 6 6 11 8 5 5 10 20 69 100 41 6 2 4 7 4 0 3 4 3 4 4 3 9 58 12 11 3 2 6 7 3 5 6 5 1 1 3 5 1 2 12 7 8 4 9 5 6 7 8 12 12 8 5 9 3 4 6 5 19 31 12 12 0 2 7 4 4 9 15 5 2 5 7 7 12 23 34 10 38 7 7 1 2 8 12 9 63 9 10 2 3 4 5 2 0 4 5 1 3 7 11 17 37 21 90 37 27 9 8 76 18 3 4 23 7 8 5 2 3 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 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 2 3 3 1 1 3 3 1 2 4 4 1 2 5 3 2 4 7 5 2 4 5 4 3 5 13 7 8 45 75 20 11 9 5 5 6 4 4 3 2 3 3 2 2 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 83 dt 1H J 8 17 | 78 78 t 1H J 9 | 75 74 m 3H | 74 73 m 2H | 73 72 d 1H J 79 | 42 41 qd 2H J 9 51 | 41 41 t 2H J 8 | 14 14 t 3H J 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Br)cc1
ir: 5 8 6 4 5 5 3 5 7 12 10 7 6 8 23 5 6 5 3 7 8 5 6 5 5 5 3 4 6 7 5 3 5 8 5 5 6 7 19 20 15 17 13 4 7 5 5 5 35 7 7 10 9 28 45 43 9 12 20 9 15 13 25 10 26 6 12 10 31 22 19 9 10 16 14 11 5 6 8 12 5 8 5 9 9 5 5 5 3 3 5 9 6 10 6 6 5 10 5 7 11 7 7 8 72 39 10 28 55 18 17 19 13 8 6 13 7 11 22 20 15 16 7 10 12 7 9 7 13 15 21 14 22 8 6 6 5 7 8 10 15 6 4 12 40 21 10 8 30 21 8 4 4 5 7 8 4 10 5 3 3 4 5 4 4 4 3 3 3 4 3 2 3 4 3 2 3 4 3 0 10 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 4 4 4 4 7 6 6 4 5 5 5 6 6 4 6 9 9 30 40 31 43 100 19 11 10 7 5 4 6 5 5 4 4 4 4 3 4 4 5 9 40 72 10 3 5 4 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3; 1HNMR: 75 75 m 2H | 74 73 m 5H | 73 73 t 1H J 86 | 43 42 dt 1H J 48 59 | 42 41 t 1H J 57 | 40 40 m 1H | 37 36 t 1H J 58 | 14 14 s 8H | 14 13 dd 1H J 48 130 | 11 11 dd 1H J 48 130 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)Nc1ccc(Br)cc1
ir: 2 2 1 2 3 1 1 2 3 5 10 4 6 5 1 2 2 1 0 2 2 1 1 2 2 2 2 5 8 6 4 7 22 3 8 5 7 2 2 4 3 1 3 8 10 7 11 5 3 3 3 6 10 12 6 34 27 3 3 4 1 0 1 3 1 0 1 3 2 5 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 3 2 1 2 2 2 4 8 2 1 5 3 3 4 3 3 4 16 3 3 2 1 2 4 2 1 2 3 2 4 4 4 2 2 2 3 2 4 3 3 1 1 2 2 1 1 1 2 1 1 2 2 2 2 5 33 9 4 6 39 21 48 27 100 9 10 14 12 1 3 5 2 0 2 17 13 0 1 3 2 0 1 3 1 0 1 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 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 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 3 2 2 3 4 2 1 2 2 2 2 4 7 8 30 45 28 20 6 9 5 5 2 4 3 2 1 2 2 2 1 3 4 2 3 3 5 7 7 27 64 41 6 4 3 2 1 2 2 1 1 2 2 1 1 2 2 3 4 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 92 91 s 1H | 75 74 m 4H | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
ir: 4 2 1 4 3 2 3 16 6 3 1 2 5 4 0 6 2 5 4 2 1 1 1 1 5 9 4 4 4 2 4 4 25 5 2 1 1 1 1 0 1 1 1 0 2 1 3 4 5 2 1 1 1 2 2 17 11 1 2 2 2 1 1 1 3 2 7 2 2 3 3 4 13 11 5 1 1 5 3 5 5 2 5 13 42 30 2 3 3 3 1 1 1 1 1 3 5 9 33 52 43 2 1 1 1 2 12 1 1 1 4 7 100 6 1 1 2 1 0 6 11 4 11 12 21 5 15 12 11 2 1 1 1 1 0 1 2 40 6 1 1 0 1 1 1 0 1 1 1 1 11 3 6 4 3 0 2 9 1 1 6 1 1 1 1 3 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 2 22 42 12 11 9 2 2 3 25 39 12 4 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 86 86 s 1H | 85 85 t 1H J 17 | 82 81 q 1H J 17 | 81 81 t 1H J 17 | 78 77 m 2H | 77 76 dq 2H J 14 104 | 72 72 t 1H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C2=NCCN2C(=O)c2ccccc21
ir: 14 7 1 8 14 7 1 9 16 6 5 15 18 8 4 13 22 32 16 13 13 6 4 12 12 6 9 16 20 33 26 13 13 8 9 30 8 6 6 15 28 56 38 30 13 3 7 15 30 12 9 14 8 1 10 16 7 0 7 13 11 4 10 13 7 1 10 12 8 20 13 16 12 5 11 13 6 4 10 14 6 7 15 20 8 8 11 13 3 7 11 11 23 18 11 9 3 5 11 9 3 6 12 17 7 13 12 9 2 8 34 15 5 36 45 16 7 10 15 10 5 12 14 8 2 11 17 12 25 22 28 16 5 12 16 16 50 65 20 6 10 11 13 4 5 10 9 6 25 100 57 8 7 13 14 9 7 98 9 3 10 44 17 3 6 14 7 1 6 13 7 0 7 12 6 1 7 12 6 2 7 11 6 2 8 11 5 2 8 10 5 3 9 10 4 3 9 10 4 4 9 9 4 4 10 9 3 5 10 8 3 5 10 8 3 5 11 8 2 6 11 7 2 6 11 7 2 6 12 6 2 7 11 6 2 7 11 6 3 8 10 5 3 8 10 5 3 8 10 5 4 8 9 5 4 9 9 4 4 9 9 4 5 9 8 4 5 10 8 5 6 10 8 5 8 11 9 5 7 10 8 6 13 9 25 31 92 30 71 7 10 14 8 3 9 11 6 3 8 11 5 3 8 10 5 4 8 9 5 4 9 9 4 4 9 9 4 5 9 8 4 5 10 8 4 5 10 8 3 6 10 7 3 6 10 7 3 6 11 7 2 6 11 6 2 7 10 6 3 7 10 6 3 7 10 6 3 8 9 5 4 8 9 5 4 8 9 5 4 8 9 5 5 9 8 4 5 9 8 4 5 9 8 4 6 9 7 4 6 10 7 3 6 10 7 3 6 10 7 3; 1HNMR: 80 80 dd 1H J 15 86 | 75 75 m 2H | 74 73 ddd 1H J 19 75 86 | 44 44 m 2H | 38 38 m 2H | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1C(=O)Cc2cc(N3C[C@H](C(=O)OC)OC3=O)cc(F)c21
ir: 5 2 6 2 19 4 6 13 3 2 3 1 0 1 1 1 2 6 3 2 2 3 10 16 14 7 9 4 5 3 1 1 2 9 1 1 2 7 11 13 5 20 4 5 5 14 6 5 1 0 1 0 1 2 1 1 6 3 0 1 1 1 2 3 5 7 8 34 14 28 5 2 8 3 12 1 2 1 0 0 0 2 1 49 2 5 1 1 0 1 2 4 4 4 11 11 6 2 1 5 4 1 1 1 1 5 5 15 5 5 10 9 4 5 47 51 15 15 8 11 28 9 7 4 4 6 14 12 5 6 11 10 1 1 2 2 2 1 2 4 19 2 3 2 29 4 8 0 72 7 30 100 6 2 0 3 13 0 1 1 2 6 66 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 1 1 1 1 1 2 2 1 2 3 5 10 13 3 4 1 20 3 5 12 20 6 7 35 11 5 1 2 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 52 51 dd 1H J 20 38 | 44 43 dd 1H J 20 123 | 41 41 dd 1H J 38 125 | 41 40 t 2H J 68 | 38 37 s 2H | 36 35 d 2H J 7 | 18 16 dtd 2H J 68 77 145 | 11 10 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCNC1=NC(=O)S/C1=C\C1CCN(C(=O)OC(C)(C)C)CC1
ir: 14 8 20 27 24 17 3 24 28 27 18 22 24 27 13 12 7 5 10 8 12 4 2 4 4 2 3 2 3 4 8 31 12 6 4 2 2 2 2 2 2 1 3 2 4 3 1 1 1 2 2 1 1 3 5 13 4 9 3 4 4 7 4 4 3 3 3 3 7 1 1 1 2 3 7 3 7 6 8 3 2 1 1 1 1 1 1 1 1 1 1 1 0 2 2 1 2 2 1 2 2 1 4 2 27 7 5 6 9 7 1 7 2 10 15 9 6 16 15 20 25 9 21 6 3 6 3 5 5 5 8 8 3 3 6 20 9 6 3 3 1 7 15 36 63 28 100 39 33 9 10 39 9 3 2 1 1 2 4 4 2 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 4 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 1 1 0 0 0 1 1 1 1 1 2 3 2 1 1 3 3 3 3 3 2 4 3 5 19 25 11 3 6 3 1 1 1 1 1 0 1 0 1 1 1 1 1 3 2 7 5 4 5 6 8 14 19 12 27 10 6 3 4 2 1 1 1 2 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 0 0 0 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 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 0; 1HNMR: 66 65 t 1H J 24 | 61 61 dp 1H J 9 81 | 44 44 t 2H J 25 | 38 37 ddd 2H J 57 84 121 | 35 34 ddd 2H J 58 85 121 | 27 27 dp 1H J 46 78 | 24 23 t 1H J 25 | 20 19 m 2H | 18 17 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccn(C(c2ccccc2)c2ccccc2)c(=O)c1C(=O)O
ir: 1 1 0 1 4 1 1 1 1 1 0 1 2 8 8 1 2 2 1 3 2 0 3 18 49 9 3 0 1 3 3 3 7 5 2 1 1 2 5 22 20 3 1 4 2 0 1 2 1 3 20 5 1 2 2 2 1 4 1 0 1 1 2 1 1 1 1 1 2 2 1 1 2 2 1 0 5 41 11 9 1 0 2 2 1 1 1 1 1 2 2 2 4 1 1 1 1 1 2 2 0 0 1 1 0 1 1 1 2 1 1 1 0 0 1 0 0 1 1 1 0 1 2 1 1 3 1 1 1 1 1 1 1 1 12 17 8 2 5 2 1 1 5 5 10 3 2 2 8 5 2 1 3 1 1 1 2 4 16 2 1 2 15 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 1 1 1 5 9 41 7 10 5 2 1 1 1 1 9 100 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 dd 1H J 18 79 | 74 74 m 5H | 74 73 m 5H | 73 72 m 2H | 67 66 d 1H J 78 | 62 61 dd 1H J 9 19 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(O)c2c(ccn2-c2ccc(-c3ccc[nH]3)cc2)[nH]c1=O
ir: 59 12 7 5 3 3 3 2 2 4 4 2 1 3 4 3 3 6 7 2 2 3 4 5 20 3 4 2 1 3 3 8 3 3 6 29 4 11 21 15 20 21 7 4 1 3 3 2 3 3 7 13 46 61 32 50 3 6 3 5 9 6 2 1 2 3 2 1 4 3 6 8 3 3 1 1 2 3 3 33 4 5 4 4 5 8 9 24 28 5 4 6 18 10 6 5 3 3 1 1 3 2 3 25 4 3 0 2 4 3 4 3 5 2 2 10 8 2 1 2 6 3 1 3 3 5 2 3 3 6 2 3 3 1 1 3 3 3 2 5 5 2 2 4 23 7 6 6 30 9 3 4 9 3 3 7 3 1 14 3 3 3 17 15 5 3 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 9 3 2 1 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 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 1 0 2 2 1 1 2 2 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 2 3 2 1 3 3 4 3 5 7 6 24 19 16 27 13 12 10 18 18 7 3 2 1 2 5 2 5 3 4 2 1 3 4 18 13 30 100 20 11 6 4 4 2 6 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 85 85 d 1H J 66 | 76 76 s 5H | 75 74 d 1H J 51 | 69 69 ddd 1H J 16 32 64 | 66 65 dd 1H J 32 63 | 62 62 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(c1)C(c1ccccc1)NCCO2
ir: 2 1 0 1 0 0 1 1 1 1 2 2 2 1 1 1 2 1 0 2 0 1 5 1 1 1 1 0 1 1 2 15 1 1 1 2 4 6 5 5 3 53 51 4 2 14 2 5 11 7 2 4 9 6 25 2 1 0 1 5 2 1 1 1 4 17 1 1 7 4 1 5 0 1 2 1 1 1 1 3 1 1 2 7 3 2 1 1 0 1 2 2 2 1 1 2 1 2 3 1 0 0 1 1 1 2 3 12 30 7 2 2 4 3 3 3 11 7 4 7 5 10 1 6 3 5 7 3 1 1 2 1 10 21 4 23 4 1 2 2 1 2 20 5 7 3 5 1 3 11 1 2 5 4 1 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 2 2 1 2 5 3 6 24 100 34 8 3 2 1 1 2 2 1 1 1 2 1 1 2 5 1 7 77 79 13 4 4 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 74 74 m 1H | 73 72 m 6H | 69 69 d 1H J 88 | 52 52 dd 1H J 10 74 | 42 41 m 2H | 39 39 dt 1H J 49 73 | 33 32 dq 1H J 48 140 | 32 31 dq 1H J 48 142
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1(CC)C=C(c2ccccc2)c2ccccc2SC1
ir: 1 0 0 1 1 1 3 2 2 2 3 1 1 0 0 1 1 0 0 1 1 0 2 1 1 0 2 1 1 1 2 48 5 0 1 3 2 3 9 8 8 21 19 43 7 7 1 2 1 0 1 1 1 0 1 1 0 0 2 1 1 0 2 2 3 10 13 1 3 19 9 2 1 1 1 3 2 1 5 1 4 2 1 2 1 5 3 2 3 3 1 1 1 0 1 1 1 1 1 3 0 1 3 2 1 2 2 2 4 2 3 2 1 2 4 2 1 5 2 4 8 4 5 4 2 1 3 4 3 7 4 1 0 2 5 39 7 11 2 3 3 35 7 51 9 14 4 9 10 2 1 3 6 1 1 6 4 1 1 6 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 2 3 3 3 3 3 2 4 3 6 8 24 14 45 100 48 14 5 3 2 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H | 75 74 m 1H | 75 74 m 2H | 74 73 m 3H | 73 72 ddt 1H J 17 76 92 | 61 61 h 1H J 9 | 30 30 dd 1H J 9 132 | 28 27 dd 1H J 9 134 | 17 15 m 2H | 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.
OCC1CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
ir: 2 2 5 4 0 2 8 2 1 1 1 2 2 1 2 2 0 38 1 1 3 1 1 3 1 1 0 1 1 2 1 2 1 1 1 1 1 2 2 3 3 11 60 35 2 1 2 3 1 1 1 0 1 1 2 2 2 2 2 4 2 2 2 2 3 1 3 6 9 6 3 3 4 4 3 5 9 5 2 2 6 23 13 9 12 10 28 39 17 42 34 23 4 4 2 4 3 4 6 3 2 2 2 5 3 2 3 5 6 4 2 3 2 1 2 3 12 1 1 1 1 1 1 1 1 1 3 1 2 1 2 1 1 1 3 2 13 33 13 2 1 2 9 3 2 1 1 0 2 14 7 2 1 0 1 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 1 0 1 2 1 2 1 2 2 2 1 3 1 3 4 4 3 5 9 44 15 100 37 11 5 3 5 3 7 35 8 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 ddt 2H J 10 24 71 | 73 72 m 4H | 71 70 td 2H J 20 68 | 40 40 m 1H | 35 35 dd 2H J 48 57 | 31 30 s 2H | 30 29 ddd 2H J 51 79 119 | 29 28 ddd 2H J 53 79 119 | 25 24 t 1H J 57 | 23 23 d 2H J 42 | 19 18 m 2H | 18 17 m 1H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(N)=S)c1ccccc12
ir: 4 8 4 2 2 3 5 3 2 2 5 3 4 1 0 2 2 3 2 4 6 3 91 45 4 6 6 20 11 3 10 10 43 15 27 8 13 18 7 2 6 20 32 80 13 4 3 7 5 2 1 2 2 1 2 4 3 2 2 4 4 4 3 3 3 1 2 3 3 3 7 5 12 1 3 3 3 14 4 2 3 4 12 28 7 6 4 5 3 2 5 3 3 12 9 4 2 4 4 5 2 2 4 2 2 5 2 2 1 1 2 2 2 2 3 5 14 4 3 2 1 2 4 5 2 3 4 2 1 3 5 3 3 3 5 5 7 6 17 7 3 4 5 10 10 4 3 19 10 17 33 6 5 4 3 9 70 38 8 4 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 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 2 2 2 2 3 2 2 2 2 2 2 3 13 9 6 14 48 24 9 2 3 1 2 2 2 2 1 1 1 1 1 1 2 21 12 3 3 3 7 7 15 100 14 3 5 18 32 52 4 1 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 94 94 s 1H | 75 74 m 1H | 74 74 s 2H | 73 72 dd 1H J 14 80 | 72 71 m 3H | 71 71 m 1H | 70 69 m 2H | 40 40 s 2H | 29 29 ddd 2H J 27 54 123 | 28 27 ddd 2H J 26 53 121 | 24 24 s 2H | 21 20 ddd 2H J 27 54 128 | 19 18 ddd 2H J 27 54 128 | 9 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)N1CC[C@@H](CF)C1
ir: 7 7 5 6 12 6 6 7 17 8 8 8 9 4 3 3 5 2 1 3 3 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 0 2 4 2 1 3 4 2 0 3 5 2 1 3 7 3 2 3 4 2 1 3 5 4 2 3 4 2 1 3 3 3 4 7 6 3 3 11 37 11 11 6 8 4 2 12 11 3 3 4 3 1 2 5 4 2 4 6 4 0 2 4 2 0 2 4 2 1 2 4 2 0 3 4 2 1 4 4 2 1 4 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 3 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 2 3 2 1 2 4 2 1 3 4 3 1 4 6 4 1 2 4 2 1 2 4 3 8 100 47 27 6 3 2 2 2 2 2 2 1 2 3 2 1 2 2 1 1 2 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 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: 45 44 m 0H | 44 43 m 0H | 42 42 m 1H | 41 41 ddd 1H J 8 40 99 | 36 36 ddd 1H J 48 64 104 | 36 35 t 1H J 65 | 34 33 ddd 1H J 48 66 103 | 30 29 m 2H | 29 28 qt 1H J 49 70 | 28 27 m 2H | 23 21 m 1H | 20 18 m 1H | 17 16 dtdd 1H J 22 50 64 98 | 12 11 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)(CC)c1ccc(O)c(NC(C)=O)c1
ir: 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 5 1 1 1 1 1 1 1 1 1 2 1 1 1 4 8 8 3 4 5 9 13 6 3 3 4 1 1 2 1 0 1 2 2 32 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 11 2 2 4 4 3 3 6 12 8 7 21 16 3 3 2 2 1 2 2 2 4 10 10 9 2 1 1 1 1 0 0 1 1 5 2 1 2 1 1 1 1 3 1 4 2 2 3 3 4 5 2 2 5 1 2 1 1 0 3 2 3 3 1 1 3 3 1 14 5 0 1 1 2 3 100 7 1 2 16 4 1 2 15 3 2 10 17 2 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 4 3 8 11 5 2 2 1 1 2 5 63 50 4 2 1 1 1 1 1 1 0 1 1 2 4 14 15 19 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 81 80 s 1H | 76 76 d 1H J 22 | 71 70 dd 1H J 22 90 | 69 68 d 1H J 90 | 37 37 s 1H | 22 22 s 2H | 21 20 dq 2H J 73 147 | 19 17 dq 2H J 74 148 | 9 8 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1CCc2[nH]c3ccc(S(=O)(=O)c4ccccc4)cc3c2CC1
ir: 8 3 2 5 5 18 5 11 10 6 8 7 18 39 6 11 24 3 2 4 10 11 27 10 4 2 4 21 8 12 25 17 16 22 28 51 55 52 21 9 26 22 61 14 1 9 4 1 2 1 2 4 7 20 33 5 4 2 2 2 5 6 17 12 7 7 4 3 11 9 4 2 1 2 4 7 5 19 14 4 1 2 5 13 14 19 49 6 2 1 3 3 1 25 3 2 2 4 17 9 29 34 7 1 5 2 10 37 4 3 3 2 6 5 7 6 3 8 14 18 22 19 18 13 7 13 3 6 5 5 4 1 4 9 45 47 5 4 3 3 10 13 42 19 6 14 31 39 8 8 3 3 2 9 7 7 4 1 3 1 3 2 9 3 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 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 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 2 2 4 3 0 2 4 2 2 5 15 10 28 36 100 30 34 4 9 6 3 2 1 2 2 1 2 1 1 0 1 1 2 3 2 2 1 2 3 29 72 37 16 4 1 2 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 95 94 s 1H | 83 83 d 1H J 24 | 79 78 m 3H | 76 75 m 3H | 75 74 m 5H | 74 74 d 1H J 75 | 38 37 t 2H J 66 | 37 37 t 2H J 55 | 30 29 t 2H J 65 | 28 28 t 2H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)cc(C)c1Oc1nc(Cl)nc2cc[nH]c12
ir: 2 2 1 1 1 1 1 1 1 1 2 2 2 2 4 1 1 1 2 1 0 2 6 6 44 90 8 7 4 0 0 2 2 4 7 6 29 2 3 10 24 13 4 9 3 4 1 3 2 2 2 2 1 0 1 2 1 0 2 3 3 2 1 2 2 7 3 4 3 1 7 8 3 0 2 2 1 0 1 7 5 0 1 2 1 1 3 2 1 1 1 2 2 1 3 6 1 3 3 10 1 1 2 1 1 2 2 4 1 7 21 2 1 1 1 1 1 4 1 1 4 1 1 1 1 1 2 1 2 3 4 4 11 100 21 8 5 68 7 54 2 3 9 6 4 7 4 4 25 4 8 7 4 14 71 6 6 8 2 0 1 1 1 2 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 2 3 4 4 5 4 1 10 18 10 15 15 11 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 12 4 6 11 11 6 7 37 1 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 91 d 1H J 90 | 74 74 dd 1H J 35 90 | 70 70 s 2H | 69 68 d 1H J 37 | 25 24 dq 1H J 56 62 | 21 21 s 6H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(CCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)OCC
ir: 3 8 12 3 6 2 2 2 3 4 3 2 2 2 0 1 1 2 6 2 1 1 3 3 3 4 1 2 5 4 6 7 21 28 6 4 3 6 16 21 20 10 5 16 9 8 2 2 2 2 1 0 1 1 1 1 2 3 3 2 3 2 9 3 4 6 7 1 2 1 3 2 4 2 6 3 9 8 5 3 1 1 1 0 1 1 0 0 2 4 1 1 1 1 1 2 2 1 5 2 2 0 0 1 3 7 3 3 7 3 3 4 5 3 4 2 5 6 6 9 9 10 8 6 5 8 9 16 9 11 3 6 3 4 11 11 8 7 1 2 3 4 18 48 53 100 13 14 10 15 10 1 1 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 4 3 2 2 1 3 3 4 3 16 22 14 12 25 14 10 2 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 4 6 5 21 3 9 89 9 8 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 0 0; 1HNMR: 74 73 m 5H | 68 67 t 1H J 49 | 63 63 d 1H J 86 | 51 51 s 2H | 47 46 t 1H J 41 | 42 41 dt 1H J 59 86 | 37 36 dq 2H J 63 113 | 36 35 dq 2H J 64 113 | 32 31 td 2H J 50 68 | 23 22 dt 1H J 88 165 | 22 21 dt 1H J 90 165 | 21 19 dtd 1H J 60 90 150 | 19 18 m 2H | 18 17 dtd 1H J 59 89 148 | 14 14 s 7H | 12 11 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(C(C)=O)cc2c(c1Cl)OC(C)(C)C=C2C(C)C
ir: 7 16 8 4 3 3 1 3 4 7 6 6 6 15 5 7 8 4 7 27 21 16 11 5 6 10 2 1 1 2 3 2 2 8 22 13 14 9 3 9 7 10 48 56 15 0 3 3 1 0 2 4 2 0 1 9 7 5 3 2 3 8 16 31 12 32 45 84 24 6 33 12 12 7 12 37 9 3 5 3 2 2 2 7 15 11 7 4 3 4 12 5 3 6 13 6 4 7 4 2 0 3 7 4 5 21 26 15 8 12 10 7 3 14 24 13 24 26 18 29 5 19 13 15 33 26 30 21 23 49 8 6 11 3 5 19 37 61 13 6 7 24 15 31 21 7 5 34 5 7 5 1 45 25 5 5 9 38 50 10 5 4 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 5 16 36 15 4 2 3 4 4 2 5 8 9 17 27 76 100 27 42 34 40 15 9 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 76 75 s 1H | 57 57 dq 1H J 9 20 | 42 42 q 2H J 62 | 31 30 pd 1H J 9 64 | 26 26 s 2H | 15 14 m 9H | 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.
OC/C=C(\c1ccc(I)cc1)c1ccc(C2CC2)cc1
ir: 0 0 1 0 0 0 0 0 0 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 1 2 7 1 4 4 2 2 5 3 2 2 2 1 0 0 0 0 2 5 1 2 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 4 16 5 5 2 1 1 1 0 1 1 1 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 2 2 6 1 3 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 5 7 4 3 4 3 3 1 20 100 13 4 3 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 75 74 m 2H | 74 73 m 2H | 73 72 m 2H | 63 63 t 1H J 43 | 47 47 dd 2H J 44 55 | 38 38 t 1H J 56 | 26 25 m 1H | 19 18 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.
CC(Br)c1cccc(Cl)c1
ir: 1 0 0 2 3 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 4 4 3 3 1 1 1 13 2 1 0 0 0 0 1 1 4 100 60 2 0 1 1 0 1 0 1 0 0 0 0 0 0 1 2 4 2 4 5 3 1 2 3 1 0 1 1 0 1 1 2 1 0 1 1 0 1 6 14 1 0 1 1 0 2 2 1 1 1 3 5 2 1 1 0 0 0 1 0 0 0 1 1 0 4 3 1 0 1 5 5 0 1 1 2 5 3 4 0 6 2 0 1 1 0 0 0 0 1 2 10 27 1 0 0 1 0 1 0 0 0 0 9 3 1 9 2 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 3 8 4 3 3 7 4 18 38 23 4 2 5 1 1 3 3 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 73 81 | 73 73 m 2H | 72 72 td 1H J 7 21 | 49 49 dtd 1H J 9 69 75 | 20 20 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(Cl)cc1)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O
ir: 2 2 5 4 3 7 5 5 6 1 1 1 1 1 0 2 3 12 3 2 1 1 1 1 2 1 8 2 1 2 2 3 6 5 2 2 1 1 5 3 3 5 46 31 21 18 24 32 16 26 28 7 6 4 8 17 8 2 2 1 6 1 1 2 2 6 3 1 2 9 1 0 1 1 2 3 4 3 9 4 3 6 10 1 1 2 2 1 1 2 3 1 1 3 7 5 5 9 3 2 2 5 6 2 5 3 5 1 2 1 0 1 3 1 1 1 3 2 1 4 8 6 5 4 18 13 21 15 5 18 5 5 3 1 3 5 19 100 27 7 8 4 2 6 6 10 6 9 18 26 12 7 6 28 20 16 7 0 1 5 5 2 32 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 5 8 26 30 37 42 22 17 11 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 86 85 d 1H J 10 | 84 83 dd 1H J 16 83 | 80 79 m 2H | 76 76 td 1H J 15 81 | 76 75 m 4H | 73 72 m 3H | 52 51 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccccc1Cl
ir: 6 1 1 2 4 3 7 3 2 1 2 5 3 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 3 1 1 1 3 3 2 100 9 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 7 7 2 1 1 3 3 6 2 1 1 5 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 13 3 1 1 2 1 0 1 3 3 2 2 1 2 3 3 4 4 3 2 2 2 1 3 2 3 1 1 1 4 2 2 21 17 3 1 1 1 1 1 1 4 5 21 1 10 19 60 6 0 4 5 1 0 4 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 4 6 3 35 23 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dd 1H J 15 77 | 75 75 dd 1H J 15 79 | 74 74 td 1H J 16 77 | 73 73 td 1H J 15 76 | 43 42 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc2c(c1)NCCC2)c1ccc(-c2ccccc2)cc1
ir: 10 1 3 1 1 3 1 2 3 1 2 1 1 1 1 1 1 2 6 11 7 2 1 1 1 0 0 2 2 5 5 11 5 2 3 1 1 1 6 5 52 14 8 6 2 1 1 3 3 2 1 4 1 5 5 11 4 6 1 0 0 1 0 0 0 1 1 0 8 22 2 4 0 1 1 1 3 1 1 1 0 0 0 0 0 1 0 1 1 2 2 1 2 7 1 3 33 10 0 1 1 0 0 0 1 1 5 3 2 3 3 2 13 5 2 1 2 2 2 1 0 1 1 1 0 1 3 3 2 1 1 1 1 0 1 5 1 2 1 11 28 83 19 5 12 8 4 4 2 4 16 13 14 11 2 3 11 2 1 1 1 0 1 6 21 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 2 7 4 19 100 22 7 8 2 2 1 2 2 2 2 4 1 1 2 2 1 1 0 2 2 4 8 19 92 33 8 6 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 81 81 m 2H | 78 77 m 2H | 76 76 m 2H | 75 74 m 2H | 74 73 m 1H | 73 73 dd 1H J 21 81 | 71 70 m 2H | 42 41 t 1H J 38 | 34 33 m 2H | 29 28 tdd 2H J 9 18 65 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc2ccc3ccccc3c2c1
ir: 1 5 0 1 5 6 1 1 1 1 1 1 1 2 8 9 1 1 2 2 7 2 9 3 3 3 2 1 2 1 3 5 5 3 15 7 4 2 6 1 3 13 30 2 1 2 1 1 1 1 2 1 3 1 3 2 2 11 46 5 2 2 1 2 1 3 5 6 22 4 13 5 5 3 5 4 11 5 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 5 1 1 1 2 3 1 2 3 4 5 6 9 11 12 3 4 1 1 1 2 2 1 2 1 1 1 4 2 3 1 3 3 4 4 1 1 1 1 1 1 5 6 6 2 2 2 3 8 60 11 11 28 29 2 15 23 3 4 11 17 8 12 12 2 2 1 5 2 3 4 3 2 1 1 1 1 1 3 5 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 2 3 2 5 3 11 24 100 24 9 14 38 12 6 3 2 1 2 1 1 2 1 1 1 2 1 2 5 25 25 20 37 29 9 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 92 92 s 1H | 87 87 d 1H J 23 | 86 85 m 1H | 80 80 dd 1H J 8 86 | 80 79 dd 1H J 13 78 | 79 79 dt 1H J 7 82 | 78 78 m 1H | 77 76 m 2H | 76 76 ddd 1H J 14 69 88 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21
ir: 4 4 1 2 2 6 4 4 3 2 2 2 3 1 1 2 3 4 1 3 2 1 1 3 2 1 2 4 2 2 3 2 2 1 1 2 4 3 2 2 1 0 1 2 4 1 1 2 2 0 1 2 1 1 6 8 3 0 1 2 1 0 1 2 8 9 4 4 2 0 2 2 4 1 2 2 1 1 2 2 1 3 10 45 3 1 1 1 1 2 3 6 6 3 2 3 2 30 14 4 1 1 5 1 1 1 2 10 1 1 2 2 8 10 2 1 0 1 2 2 2 5 6 4 2 4 2 1 1 2 6 2 1 1 6 3 1 2 3 11 2 1 2 1 11 6 2 1 1 2 12 9 1 2 1 1 1 2 1 1 4 2 2 1 3 5 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 6 5 9 6 3 2 4 4 12 100 22 11 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 dt 1H J 12 25 | 81 81 s 1H | 80 80 s 1H | 78 77 dd 1H J 22 84 | 70 70 d 1H J 84 | 43 42 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Cc1ccccc1C#N
ir: 4 3 1 3 8 3 3 3 4 5 13 9 5 3 3 3 8 6 2 3 3 3 3 10 6 2 7 6 3 2 2 5 28 3 2 4 4 17 6 29 5 4 3 36 39 37 6 4 5 2 3 4 3 5 3 4 3 1 2 4 3 2 3 4 3 2 5 4 7 18 11 6 4 2 3 26 6 2 3 4 2 2 6 4 3 2 4 3 5 8 12 6 6 4 5 5 2 2 4 3 4 4 4 3 1 2 4 3 2 3 4 3 1 3 6 4 3 4 7 4 4 6 8 24 27 7 9 6 11 6 6 4 1 4 5 4 100 43 6 14 65 22 98 21 16 15 6 5 26 9 3 3 3 3 3 2 2 12 5 2 2 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 2 2 3 2 0 37 0 3 4 2 1 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 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 6 4 3 3 6 12 6 5 3 7 6 7 7 38 19 7 54 55 43 12 5 8 4 3 3 3 3 3 3 3 3 3 4 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 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; 1HNMR: 76 76 dd 1H J 14 65 | 75 74 ddd 1H J 13 64 78 | 74 73 m 2H | 39 38 d 2H J 9 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CCc2[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1
ir: 3 3 3 4 3 2 3 4 2 3 2 2 1 7 4 3 7 4 2 2 1 1 1 2 2 3 3 6 3 3 5 6 3 2 3 2 2 3 3 6 6 2 2 1 1 1 1 0 1 2 1 1 1 1 4 4 5 2 1 1 1 1 2 3 6 2 1 1 6 3 1 1 1 1 1 2 1 2 2 1 1 1 1 2 11 5 3 5 3 1 1 1 1 4 1 2 7 2 6 2 3 7 21 7 3 2 1 1 3 1 1 1 2 1 1 2 4 2 7 6 4 5 3 2 2 2 1 1 2 1 2 1 2 7 5 28 3 1 9 2 2 2 3 3 2 1 1 2 2 1 1 1 1 1 1 13 3 2 1 1 1 1 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 2 2 3 10 16 9 4 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 2 0 1 2 2 3 2 13 33 100 54 1 3 3 2 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H | 82 81 s 1H | 80 79 tt 1H J 13 73 | 77 77 m 2H | 75 75 d 1H J 21 | 74 74 m 2H | 73 73 dd 1H J 22 73 | 72 71 d 1H J 72 | 31 30 dd 1H J 71 142 | 30 30 m 1H | 30 29 m 1H | 29 28 ddd 1H J 44 70 145 | 27 26 m 1H | 23 23 d 6H J 14 | 22 21 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCn1ccnc1-c1ccccn1
ir: 0 1 2 8 6 7 8 21 2 2 2 1 1 1 1 1 0 2 8 13 35 10 3 1 2 3 5 2 6 1 1 2 1 1 7 7 5 7 9 27 30 14 11 4 13 48 18 4 2 0 3 1 5 6 17 7 1 1 1 2 1 0 2 4 5 13 10 1 1 3 3 7 1 2 1 1 1 2 19 51 6 7 12 17 16 9 4 1 1 3 2 3 8 6 10 6 1 3 6 3 4 3 4 1 5 9 20 16 30 8 14 8 5 5 4 5 2 6 16 8 7 6 7 3 1 7 10 10 82 50 12 17 19 15 7 6 4 7 23 12 3 4 4 25 4 4 4 2 4 2 1 7 12 9 33 2 5 8 26 38 6 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 2 2 3 2 9 9 8 4 4 4 5 3 6 8 19 67 12 34 21 100 13 21 32 14 6 3 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 dd 1H J 17 41 | 82 81 dd 1H J 14 76 | 77 76 td 1H J 17 73 | 73 73 ddd 1H J 14 40 71 | 73 72 d 1H J 40 | 71 71 dt 1H J 10 40 | 42 41 td 2H J 8 66 | 19 18 p 2H J 62 | 14 13 p 2H J 64 | 13 12 m 13H | 12 12 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCNCC(O)c2cccc(Cl)c2)cc1
ir: 2 2 2 4 6 2 1 2 2 3 7 4 4 5 1 3 2 2 5 3 3 2 2 1 2 2 2 1 2 3 4 7 6 2 3 3 3 5 8 7 5 9 10 10 12 8 30 19 11 18 15 10 7 14 16 8 12 10 8 6 7 9 10 14 7 1 8 3 5 5 4 6 7 13 6 6 4 3 1 1 1 2 2 3 2 3 8 32 37 35 13 4 4 3 5 4 4 5 4 4 1 1 2 2 1 3 3 4 3 3 9 5 6 11 10 13 16 8 4 7 6 6 3 5 7 3 8 7 7 4 2 2 2 2 4 12 5 5 3 11 5 2 1 2 1 2 3 4 6 5 7 6 7 3 3 3 1 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 1 0 0 1 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 6 8 15 23 86 21 17 3 1 3 4 4 8 8 3 1 1 2 2 1 2 3 4 35 100 47 18 7 3 3 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 70 70 dq 2H J 9 86 | 69 68 m 2H | 55 55 tt 1H J 46 62 | 48 47 ddd 1H J 39 48 59 | 46 46 d 1H J 53 | 38 38 s 2H | 31 31 ddd 1H J 44 62 136 | 30 29 tdd 2H J 26 46 56 | 29 28 ddd 1H J 44 63 136 | 28 27 ddt 2H J 9 55 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCN1CCNC(=C(C#N)C#N)N1CCC(CN2CCCCC2)CC1
ir: 0 5 6 7 13 8 2 11 2 12 14 19 22 6 7 7 6 9 8 9 8 6 11 9 9 7 9 6 7 6 4 4 11 6 5 7 2 7 3 4 3 5 3 14 6 6 5 5 2 3 3 2 2 3 5 3 5 6 9 5 3 5 4 1 5 7 6 1 4 9 5 0 6 7 7 1 3 2 2 9 7 45 4 10 10 8 8 46 11 11 6 6 5 9 4 9 11 15 8 6 4 5 3 5 4 2 3 8 4 10 23 15 23 3 13 15 6 4 3 5 5 10 9 11 9 3 3 5 6 7 8 11 8 6 3 2 5 3 3 2 4 3 8 12 9 54 10 7 3 1 4 32 4 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 2 3 1 1 2 0 1 2 1 0 1 2 1 0 1 2 0 0 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 3 2 2 4 3 5 4 3 1 3 4 6 6 21 5 2 2 2 2 1 1 2 2 1 0 1 2 1 1 2 2 2 2 5 4 2 3 2 6 5 16 36 100 50 3 4 7 1 3 2 2 1 1 2 1 0 1 2 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 1 1 0 1 2 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 2 1 0 1 2 1 0 1 2; 1HNMR: 63 63 t 1H J 32 | 36 35 ddd 2H J 62 88 123 | 35 33 m 4H | 28 28 m 2H | 28 27 m 1H | 27 26 dt 1H J 57 126 | 26 26 ddq 1H J 18 53 105 | 26 25 m 4H | 25 25 d 2H J 51 | 19 18 ddt 2H J 62 89 124 | 18 15 m 11H | 15 14 m 2H | 11 10 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1
ir: 0 3 3 3 6 14 4 4 2 4 5 4 5 3 3 3 0 2 2 1 0 1 3 2 1 3 3 2 4 6 17 6 8 7 4 1 3 7 6 6 17 48 55 16 15 73 74 16 9 0 3 3 5 3 2 2 2 3 6 28 31 4 3 3 2 3 2 1 6 3 2 1 12 15 8 6 4 3 9 5 2 2 2 2 6 3 2 12 2 2 1 1 2 4 8 14 3 2 1 2 3 7 1 1 2 1 0 1 4 5 1 1 2 2 3 1 4 3 1 2 4 2 1 3 18 44 1 2 3 2 1 2 4 5 11 8 16 19 2 2 4 5 36 25 94 17 4 14 21 21 26 14 37 7 10 5 2 3 5 5 2 1 3 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 3 2 3 3 5 7 10 26 100 37 23 13 6 4 6 3 3 2 3 1 0 1 2 2 1 2 4 3 2 4 13 9 61 14 17 8 3 2 3 2 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H | 78 77 dd 1H J 14 79 | 75 74 m 4H | 74 73 m 5H | 72 72 d 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=C(C)NCCC(=O)OCC
ir: 4 10 29 11 9 5 7 4 6 8 10 4 1 2 6 6 6 3 1 1 2 4 3 3 6 4 2 11 19 16 25 26 48 100 45 24 18 13 16 22 19 27 33 13 6 18 5 7 6 2 4 3 1 1 1 2 1 2 2 3 1 6 9 13 4 0 2 2 2 5 2 3 5 9 12 19 25 10 20 10 5 2 2 2 1 0 1 0 0 1 1 1 1 5 3 2 12 7 4 4 1 3 2 3 7 15 33 6 3 4 6 21 19 12 15 5 11 9 8 12 8 5 12 14 22 6 2 4 1 8 5 3 3 6 2 2 1 1 2 3 2 7 11 7 26 44 39 88 68 24 12 3 2 2 1 1 1 6 11 56 32 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 3 5 2 2 2 3 4 6 4 3 3 3 8 7 6 21 19 9 6 4 1 1 2 1 2 1 2 1 1 1 1 1 0 1 1 1 1 3 6 12 14 70 58 67 46 24 46 19 13 5 3 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 54 | 50 50 q 1H J 13 | 42 41 qd 4H J 49 63 | 34 33 td 2H J 53 63 | 26 25 m 2H | 21 21 d 3H J 13 | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCSC1=CC(OC2CCCCO2)CC1=O
ir: 0 1 4 4 4 10 6 7 6 7 3 2 3 4 12 8 3 3 8 6 6 7 4 6 10 5 5 5 4 17 30 7 3 2 4 5 2 4 2 6 7 4 5 1 6 1 4 6 18 9 3 3 12 5 5 7 6 4 6 2 7 7 3 5 10 8 11 8 7 15 7 10 8 19 7 12 8 16 14 15 27 6 2 0 2 2 0 1 2 2 3 1 2 3 1 3 3 2 1 2 6 4 5 5 6 17 7 19 23 13 8 13 7 6 8 8 13 8 10 17 21 28 12 12 4 4 6 5 9 5 2 2 3 2 1 1 2 1 1 1 2 2 3 8 100 58 9 4 3 1 3 4 8 6 7 2 1 1 1 2 1 0 1 2 2 1 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 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 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 1 1 1 3 2 1 1 3 2 2 5 5 11 24 15 6 5 3 5 8 9 3 93 14 37 10 3 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 64 64 dt 1H J 10 47 | 49 49 m 1H | 49 48 t 1H J 31 | 38 38 m 1H | 36 36 m 1H | 29 28 t 2H J 66 | 28 27 ddd 1H J 8 41 148 | 23 22 ddd 1H J 9 41 148 | 19 17 m 2H | 16 15 m 6H | 14 13 m 2H | 13 12 m 6H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1(CCCCCCCCCCCCC2(C(=O)O)CC2)CC1
ir: 3 2 2 3 10 3 4 3 4 4 8 8 8 8 3 10 22 21 32 13 24 43 100 70 28 37 17 15 4 7 10 6 7 6 2 5 6 5 10 17 13 14 8 11 10 16 6 6 5 6 8 3 5 3 3 5 5 7 5 2 2 1 1 2 4 3 4 6 5 5 4 6 5 7 18 14 12 27 76 39 28 6 6 2 6 11 4 5 17 6 1 3 8 4 9 16 14 20 12 15 5 4 3 5 6 46 26 17 32 4 7 3 5 4 4 4 4 9 7 18 16 11 4 10 20 23 25 6 6 5 3 3 6 2 3 3 1 2 5 5 3 3 5 10 20 74 11 8 6 5 7 21 12 7 2 1 1 0 0 0 8 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 4 10 21 6 7 2 2 7 8 25 35 23 53 4 6 4 4 4 17 9 21 4 7 20 82 44 5 0 1 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; 1HNMR: 33 33 s 2H | 33 33 s 2H | 18 17 t 2H J 71 | 14 14 m 4H | 14 13 m 3H | 13 12 m 7H | 13 12 s 11H | 12 11 m 2H | 7 7 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(Cc1ccc(F)cc1Cl)C(=O)Nc1cc(O)ccc1F
ir: 2 1 1 4 3 6 3 3 13 3 1 2 3 4 8 13 7 9 3 2 5 2 2 1 3 5 2 2 2 4 3 5 4 5 2 4 3 3 11 14 7 9 18 15 13 6 5 2 4 2 4 12 22 42 6 15 10 6 6 3 5 4 3 3 7 9 46 20 8 8 3 3 6 3 1 2 2 2 1 5 8 37 100 22 13 5 4 6 7 5 1 2 3 4 2 6 4 4 5 3 1 5 5 7 1 1 0 1 6 2 4 6 2 3 3 4 3 2 2 2 3 5 3 2 4 5 15 8 5 4 13 4 2 2 1 1 3 39 4 4 7 26 1 3 3 3 17 21 29 25 4 10 14 4 12 13 4 1 1 2 4 4 15 9 3 1 1 1 1 0 1 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 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 3 1 1 1 1 1 2 2 2 4 6 3 5 12 6 12 16 60 28 16 8 4 2 2 10 81 16 3 2 1 2 1 1 1 1 1 1 2 3 8 35 29 10 6 5 1 2 1 2 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 93 93 d 1H J 31 | 72 72 ddt 1H J 9 45 81 | 72 71 dd 1H J 21 121 | 71 70 dd 1H J 22 32 | 70 69 m 2H | 67 66 ddd 1H J 21 36 93 | 55 54 s 1H | 40 39 tq 1H J 15 77 | 35 35 ddd 1H J 9 79 161 | 33 32 ddd 1H J 9 79 163 | 22 22 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1ccc(CN2CCCCC2)cc1
ir: 7 3 5 7 5 5 4 4 3 5 0 2 2 2 3 5 3 3 13 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 5 5 2 3 3 2 2 2 4 4 1 2 4 3 2 5 4 5 5 24 22 19 14 11 4 3 2 2 3 6 5 2 2 5 2 3 4 2 2 1 2 2 2 4 37 30 9 9 4 24 26 40 75 34 7 7 13 10 4 19 12 3 5 5 5 1 8 6 2 1 1 2 2 0 3 6 7 1 7 7 6 3 3 4 2 2 3 5 5 3 5 3 4 5 5 5 2 3 20 18 3 1 1 2 1 0 1 1 0 0 3 3 17 28 4 2 2 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 4 3 2 2 3 3 4 10 9 18 89 100 15 5 3 5 3 1 15 70 4 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 dt 2H J 9 85 | 71 70 dt 2H J 9 84 | 38 38 q 2H J 58 | 36 35 d 2H J 10 | 28 28 tt 2H J 9 57 | 24 23 m 4H | 18 17 t 1H J 59 | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)C(C)(C)CC(c1cccc(Br)c1)N2
ir: 23 35 55 28 25 14 5 4 1 4 7 6 4 6 3 2 1 3 3 2 1 3 5 5 2 4 3 0 2 4 26 3 17 3 2 3 2 6 4 7 1 3 3 1 3 8 13 6 13 6 3 0 10 2 16 3 3 3 2 1 2 3 3 2 6 4 3 11 7 8 5 2 4 5 2 2 2 6 4 4 2 3 2 2 6 8 5 2 2 2 2 2 3 4 5 6 8 5 7 2 9 26 27 13 11 3 4 5 3 3 2 4 3 3 1 3 4 4 5 4 5 5 3 4 9 5 9 5 3 5 2 5 3 3 2 3 2 10 28 27 16 5 9 3 5 11 12 5 3 1 4 38 100 54 7 13 5 1 1 4 2 1 9 8 9 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 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 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 3 2 2 3 2 3 2 3 2 4 3 5 7 7 18 18 18 10 6 4 3 7 4 4 3 2 2 1 2 2 2 2 2 3 3 5 3 28 39 35 41 45 19 11 3 2 2 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 74 m 1H | 74 74 ddd 1H J 13 22 77 | 73 73 ddd 1H J 14 25 83 | 73 72 t 1H J 79 | 71 71 m 1H | 70 69 m 1H | 67 67 d 1H J 73 | 49 49 m 1H | 38 38 d 1H J 66 | 24 24 dd 1H J 49 139 | 23 23 d 3H J 8 | 22 21 dd 1H J 49 139 | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc(-c2nc(N3C4CCC3COC4)c3cnn(-c4ccccc4)c3n2)c1
ir: 2 4 2 4 2 2 3 4 7 3 4 5 4 3 8 7 3 5 5 6 3 7 6 3 3 3 9 17 5 4 5 9 8 4 11 2 3 5 3 9 7 8 40 6 6 14 100 12 8 10 4 5 7 8 67 8 6 3 2 4 3 9 5 2 2 3 7 15 8 6 6 4 4 3 3 4 10 5 14 11 12 12 14 5 38 31 8 7 3 4 5 3 5 6 4 3 3 3 4 4 3 3 5 5 3 3 3 4 2 3 2 3 2 2 3 2 2 2 4 3 2 3 4 5 6 5 6 3 6 7 3 4 20 4 9 9 8 16 4 4 3 4 11 6 9 6 10 26 21 9 7 6 62 7 24 9 10 0 17 71 7 15 5 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 4 3 2 2 3 3 4 2 2 3 3 6 5 4 11 5 20 97 29 9 9 8 6 2 7 47 28 7 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 m 2H | 83 83 s 1H | 78 78 m 2H | 77 77 ddd 1H J 11 22 93 | 75 75 t 1H J 22 | 74 74 tt 1H J 13 72 | 74 73 dd 1H J 83 94 | 70 70 s 1H | 69 68 ddd 1H J 13 22 84 | 41 40 dqt 2H J 19 38 57 | 40 40 dd 2H J 39 103 | 38 37 dd 2H J 39 103 | 22 21 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C2c3ccc(Cl)cc3C=Cc3sc(Sc4nncs4)nc32)c(=O)[nH]c1=O
ir: 2 2 2 2 2 3 3 2 1 2 2 3 3 2 1 2 3 2 1 2 2 2 4 2 2 1 3 2 2 1 2 6 2 1 2 3 2 2 2 2 2 2 2 2 2 1 2 2 2 3 2 4 9 10 12 100 27 2 2 2 2 2 2 4 2 4 5 4 3 2 1 1 2 2 2 1 2 2 2 2 3 5 3 2 2 2 2 2 15 2 2 3 2 2 3 6 2 2 2 2 2 2 2 5 2 2 4 3 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 5 3 4 1 21 0 3 3 1 2 3 2 3 3 2 2 2 6 2 5 2 2 2 2 2 4 27 4 1 13 4 3 4 2 1 1 2 2 3 30 7 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 2 2 5 3 1 8 8 5 5 5 2 2 2 2 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 4 10 6 2 2 4 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 88 88 s 1H | 81 81 dq 1H J 9 19 | 76 76 d 1H J 104 | 75 75 d 1H J 23 | 74 73 dd 1H J 21 80 | 73 72 dd 1H J 6 81 | 72 72 d 1H J 105 | 59 59 m 1H | 35 34 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1cnc2ccccn12
ir: 15 7 1 9 14 7 1 12 20 15 8 9 13 7 11 14 17 9 3 10 12 5 3 11 12 5 4 11 11 9 10 12 39 39 30 15 12 3 7 12 12 17 43 35 15 6 12 68 79 61 16 19 9 2 7 16 9 0 8 16 11 6 9 15 7 1 9 14 6 4 10 13 5 2 12 18 8 4 11 12 6 4 23 17 13 11 20 13 4 6 13 25 8 5 13 10 3 7 15 11 7 12 13 9 2 7 15 9 1 8 18 11 25 16 14 8 2 8 14 7 3 11 14 10 5 10 12 7 8 13 44 100 9 10 12 5 4 10 12 13 25 29 16 5 5 11 12 5 12 41 46 7 7 15 11 3 6 13 10 4 6 27 12 3 7 26 19 12 7 13 8 2 7 13 7 2 8 13 7 2 8 12 6 3 9 12 6 3 9 11 5 4 10 11 5 4 10 11 5 4 10 10 4 5 11 10 4 5 11 9 4 6 12 9 3 6 12 8 3 7 12 8 2 7 12 8 2 7 13 7 2 8 12 7 2 8 12 7 3 8 12 6 3 9 11 6 4 9 11 5 4 10 10 5 4 10 10 5 5 11 10 4 5 11 10 4 6 11 9 4 6 12 9 3 7 12 8 5 7 13 9 5 10 14 60 42 79 60 35 12 12 16 10 6 9 14 8 4 9 12 6 4 9 11 6 5 9 11 6 5 10 10 5 5 10 10 5 5 10 9 4 6 10 9 4 6 11 9 4 6 11 8 4 7 11 8 3 7 12 8 3 7 12 7 3 8 12 7 3 8 11 7 4 8 11 6 4 8 10 6 4 9 10 6 5 9 10 5 5 9 9 5 5 10 9 5 6 10 9 5 6 10 9 4 6 10 8 4 7 11 8 4 7 11 8 4 7 11 7 3; 1HNMR: 94 93 dd 1H J 15 83 | 87 86 s 1H | 78 77 dd 1H J 14 79 | 77 77 ddd 1H J 13 69 81 | 72 71 ddd 1H J 15 70 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc2nc(C)cc(O)n2n1
ir: 1 5 4 1 6 1 1 1 0 0 0 1 1 1 2 2 3 4 2 2 3 2 32 8 21 27 5 1 2 1 2 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 1 1 0 1 1 2 2 2 1 1 0 1 1 1 4 3 2 15 10 7 7 6 4 2 1 1 1 3 3 5 10 12 8 12 4 4 3 5 2 1 1 1 2 2 3 3 0 0 1 0 0 0 1 1 1 1 3 2 1 1 2 2 1 4 2 1 1 2 1 1 0 1 1 1 1 1 1 3 2 7 1 1 1 1 18 2 9 1 2 12 1 20 0 0 0 0 0 0 0 1 0 4 14 2 1 1 4 26 10 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 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 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 3 3 19 13 7 4 2 1 6 100 42 2 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 63 63 s 1H | 59 59 q 1H J 9 | 26 26 s 3H | 26 26 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nc(COCc2ccccc2)[nH]c1Sc1cc(F)cc(F)c1
ir: 3 4 2 4 5 5 4 4 14 7 1 5 2 4 2 3 9 6 4 3 5 4 4 2 2 1 1 2 3 1 40 7 4 6 4 6 4 4 6 100 48 1 5 7 5 3 4 6 6 7 13 5 17 16 3 3 2 0 3 4 7 4 5 5 5 37 71 78 36 26 10 3 6 9 18 7 3 18 13 8 2 1 3 4 10 16 20 6 12 59 35 24 4 9 4 43 38 45 35 6 8 16 41 8 4 10 11 7 4 4 6 3 3 16 2 3 1 5 22 14 17 20 10 26 20 17 9 5 4 18 33 8 4 10 19 26 8 4 3 1 2 13 13 15 4 4 10 14 2 2 3 5 14 2 2 2 2 32 17 4 1 1 1 1 1 1 2 1 1 1 1 1 1 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 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 1 2 1 1 2 1 1 2 2 2 1 2 2 3 3 9 5 3 3 6 16 8 6 4 4 7 14 26 29 89 38 59 60 51 46 23 8 9 5 5 3 3 13 72 58 14 4 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 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 0 1 1 1 0; 1HNMR: 92 92 s 1H | 74 73 m 5H | 68 68 tt 1H J 22 121 | 67 66 m 2H | 47 46 d 2H J 8 | 45 44 s 2H | 32 31 hept 1H J 65 | 14 14 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
ir: 4 3 4 1 2 11 16 4 7 12 7 7 6 18 6 3 6 7 10 3 1 11 2 2 3 2 4 3 2 6 5 4 2 4 8 8 9 6 20 26 24 22 6 0 20 42 9 3 5 19 6 1 11 10 30 16 7 19 21 45 11 1 2 8 5 9 4 6 49 9 6 4 2 2 3 2 10 3 5 4 7 4 3 3 3 5 52 11 34 8 33 3 2 3 6 16 4 3 8 6 8 7 11 13 31 17 7 12 9 17 32 42 27 38 22 6 4 8 7 4 4 5 11 13 20 15 10 7 2 4 7 2 5 5 4 20 10 12 3 3 2 1 9 26 10 9 14 18 100 7 4 2 9 2 1 1 1 2 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 5 5 4 3 3 5 2 8 23 24 54 67 24 5 5 5 2 2 2 3 2 2 1 1 1 1 1 1 1 1 1 0 22 95 6 3 1 0 1 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 3H | 74 74 s 2H | 73 72 m 2H | 72 71 m 2H | 51 50 d 1H J 113 | 43 42 m 2H | 39 39 dddt 1H J 15 29 80 112 | 37 36 ddd 2H J 57 83 123 | 36 35 ddd 2H J 57 82 121 | 29 28 m 1H | 21 20 m 3H | 19 18 ddt 2H J 56 82 130 | 10 9 ddd 6H J 16 66 212
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1c[nH]c2c1C(=O)CCCC2
ir: 3 2 3 3 6 2 3 4 6 12 8 14 5 12 9 10 7 8 8 18 26 100 86 55 33 10 5 1 2 2 3 1 3 6 4 1 1 2 8 5 7 15 51 31 9 11 4 8 4 3 4 3 2 2 4 4 2 2 2 2 1 1 2 2 2 3 3 1 3 6 3 2 2 2 4 7 14 21 77 25 17 7 1 2 4 3 4 6 1 3 2 4 6 3 1 6 2 6 5 7 6 21 9 3 3 2 0 2 5 6 13 8 7 3 1 5 7 4 5 8 23 3 3 2 5 3 1 2 12 1 3 9 5 3 2 2 2 7 8 4 4 4 24 23 16 4 3 12 23 2 1 2 7 2 1 2 70 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 8 4 1 3 1 3 1 5 10 2 2 1 1 5 9 7 3 1 1 1 3 70 5 1 1 1 1 1 1 1 1 1 2 2 0 2 10 16 16 3 3 1 1 2 1 1 1 1 2 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 96 96 d 1H J 73 | 67 66 dt 1H J 10 75 | 29 28 m 4H | 28 27 m 4H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(CCl)on1
ir: 2 3 3 3 2 3 3 3 3 4 6 4 3 3 3 2 2 3 3 5 4 4 3 3 4 3 3 2 2 3 3 2 2 3 2 2 2 3 3 3 3 8 7 11 6 7 4 3 3 3 3 2 3 3 3 3 3 4 5 3 4 8 7 3 3 3 3 3 5 15 24 14 17 11 6 5 3 3 3 3 3 3 2 2 3 3 2 3 3 3 3 3 3 3 5 6 6 4 4 8 6 3 2 2 2 3 2 3 3 5 6 4 3 3 3 3 3 3 4 7 8 4 3 4 4 5 6 4 7 7 12 5 4 3 2 3 3 2 7 19 2 3 3 2 2 3 3 2 2 4 4 0 3 12 27 100 99 1 2 6 3 0 2 5 3 1 2 4 2 1 2 4 2 1 3 4 2 1 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 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 3 3 3 4 3 3 4 3 5 6 5 3 3 4 5 5 14 14 9 7 11 38 17 16 23 9 4 4 3 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 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 63 63 d 1H J 9 | 48 48 d 2H J 9 | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21
ir: 7 4 5 2 3 2 3 4 3 5 3 1 3 3 1 2 1 2 4 2 2 4 4 5 3 6 100 20 18 9 14 7 2 2 1 2 3 4 4 2 2 1 1 2 1 2 4 19 26 3 3 1 2 29 31 11 2 0 8 8 27 0 2 3 3 0 1 3 6 0 2 2 1 0 2 7 2 3 3 2 1 1 2 1 1 1 4 2 2 10 4 3 3 2 3 2 5 8 5 13 13 6 4 3 20 2 2 1 1 1 1 1 1 1 1 2 4 6 15 5 2 3 4 14 12 2 5 6 6 6 25 2 4 5 2 1 1 2 2 1 1 2 2 14 5 2 2 1 1 7 10 11 56 28 24 22 9 2 6 20 2 1 2 2 4 9 3 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 2 2 3 7 12 12 4 17 17 31 21 5 5 2 2 3 1 1 2 2 1 1 1 3 4 3 4 2 3 4 5 36 46 16 55 19 3 3 3 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 91 91 s 1H | 77 77 dd 1H J 21 76 | 76 76 d 1H J 21 | 76 75 d 1H J 57 | 74 74 d 1H J 76 | 73 73 d 1H J 57 | 18 18 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)cc1C1Nc2ccc(C(=O)O)cc2CC1(C)C
ir: 3 4 19 30 14 9 21 21 11 4 1 5 9 23 20 8 6 4 5 9 33 100 83 14 4 8 7 7 3 3 2 2 2 1 7 11 4 2 2 3 3 1 3 2 2 1 2 3 2 1 3 3 6 7 25 23 6 1 2 2 2 4 2 3 5 4 8 5 7 8 3 7 11 7 11 17 12 8 12 41 17 3 4 2 5 6 10 6 6 5 6 6 2 2 4 4 2 4 4 3 15 5 2 5 3 3 2 2 2 3 5 4 2 1 2 8 31 5 5 3 2 3 5 10 15 5 6 2 2 3 6 6 4 3 2 2 2 4 4 52 13 6 6 5 19 27 40 10 3 10 7 3 34 18 7 5 2 2 2 1 1 5 2 4 11 5 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 3 2 1 1 2 1 1 2 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 2 2 3 2 1 1 3 2 2 2 3 2 2 2 12 8 6 11 29 13 8 5 2 2 3 3 4 13 69 41 8 3 1 2 2 1 1 2 6 5 5 17 45 50 16 6 4 6 1 2 2 1 2 2 5 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 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 1 1; 1HNMR: 79 79 dt 1H J 9 20 | 79 78 dd 1H J 20 86 | 72 72 ddq 1H J 11 46 91 | 70 70 d 1H J 87 | 70 69 m 2H | 49 48 dddd 1H J 14 22 29 79 | 46 46 d 1H J 77 | 29 29 dd 1H J 7 146 | 28 27 dd 1H J 10 146 | 24 23 d 3H J 11 | 11 11 d 3H J 16 | 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.
CCCc1c(-c2ccc(C(=O)OC)cc2)oc2cc(NC(=O)CCl)ccc2c1=O
ir: 2 5 3 2 3 4 2 1 2 2 2 1 1 1 1 4 7 12 3 2 2 2 3 2 1 1 1 1 1 1 4 12 8 10 7 2 3 1 1 1 1 0 1 3 4 1 42 8 2 3 2 1 7 6 5 10 19 8 2 2 1 1 7 1 0 1 1 2 3 16 2 1 0 0 1 3 1 1 3 1 0 0 0 1 1 1 3 2 1 1 1 1 0 0 2 3 1 2 1 1 17 3 1 1 1 2 16 3 3 5 1 1 1 1 5 21 10 2 1 6 0 1 1 3 3 4 1 4 2 1 1 8 3 6 1 0 1 1 1 4 3 5 10 11 31 7 10 3 2 0 13 5 35 4 7 1 1 13 5 0 1 1 0 36 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 1 1 1 2 3 4 12 2 16 100 15 1 1 1 1 1 1 1 1 1 1 1 0 0 1 2 1 1 2 1 1 1 10 32 7 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 81 80 d 1H J 88 | 80 79 m 2H | 78 78 d 1H J 22 | 77 77 m 2H | 74 73 dd 1H J 21 87 | 42 42 s 2H | 39 39 s 2H | 26 25 t 2H J 66 | 17 16 qt 2H J 65 80 | 9 9 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)o1
ir: 1 4 4 4 2 3 2 3 2 6 4 8 5 6 6 13 4 9 3 4 1 3 2 2 2 5 7 3 8 8 7 4 1 3 6 8 17 15 3 4 3 7 6 7 12 9 22 20 6 2 2 5 2 13 27 8 3 10 16 4 4 1 1 2 3 26 14 15 7 2 2 2 2 7 1 1 1 1 1 1 2 2 1 2 7 7 20 15 33 13 8 6 3 4 2 11 8 8 4 2 2 1 3 2 2 2 14 24 2 1 2 9 8 3 1 2 2 2 2 3 2 2 2 7 2 9 4 2 1 1 10 2 1 0 1 0 1 1 3 4 27 10 12 2 1 1 1 2 3 26 12 16 33 5 16 75 14 19 28 3 2 0 2 15 26 4 1 0 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 2 1 3 4 8 100 25 28 10 5 5 5 17 86 16 6 3 2 4 2 2 1 1 2 3 2 1 8 21 93 25 13 12 4 5 2 1 1 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 d 1H J 18 | 86 86 m 2H | 74 74 d 1H J 22 | 74 73 m 2H | 73 72 ddq 1H J 10 19 75 | 71 70 m 3H | 66 65 m 2H | 51 51 t 2H J 8 | 46 46 dd 2H J 8 57 | 38 37 t 1H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CCCC2)nc(-c2ccc(N)cc2)n1
ir: 30 22 28 32 15 26 32 15 15 12 7 24 15 8 11 8 8 15 20 9 15 20 13 8 8 8 7 7 8 7 7 7 15 20 10 13 11 27 35 55 11 15 7 8 12 8 10 7 7 8 9 7 10 10 9 56 41 10 10 15 9 13 9 8 10 15 18 27 37 92 37 18 26 12 10 11 12 27 17 17 10 11 7 8 11 100 8 10 8 32 11 17 13 18 22 10 9 14 19 11 12 20 32 13 14 11 20 10 11 13 12 16 18 11 9 7 8 9 9 13 9 11 8 9 9 9 12 9 9 10 11 9 8 8 7 9 8 8 6 8 8 5 7 26 88 62 17 13 12 31 11 30 11 11 9 37 71 80 28 31 25 78 41 28 19 9 9 7 7 6 7 7 6 6 7 7 7 6 6 7 6 7 7 7 7 6 7 7 6 6 7 7 6 6 6 7 7 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 7 6 7 7 6 7 7 6 7 7 9 9 8 9 7 7 10 9 11 9 8 10 12 26 25 34 13 19 46 23 17 11 11 8 6 7 8 6 6 7 8 6 6 7 7 9 71 51 17 6 6 7 8 5 5 11 10 0 76 0 25 14 12 4 6 8 8 6 9 9 7 5 6 8 7 5 6 8 7 5 7 8 6 5 6 7 6 5 6 7 7 6 8 7 7 6 7 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7; 1HNMR: 79 79 m 2H | 68 67 s 1H | 67 66 m 2H | 45 44 s 2H | 39 37 m 6H | 36 35 dd 1H J 61 100 | 35 34 ddd 1H J 38 62 143 | 34 33 p 1H J 57 | 21 20 m 2H | 19 17 m 3H | 18 17 s 5H | 17 16 m 2H | 13 12 d 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc2ccc(C(F)(F)F)nc2c1)Nc1scc(Br)c1-c1nnc[nH]1
ir: 6 14 13 9 11 6 13 8 24 10 25 20 11 25 7 5 6 6 4 5 5 10 5 9 9 9 17 33 12 10 69 2 1 4 3 5 3 4 4 1 2 4 6 5 4 8 20 8 24 4 4 6 8 7 5 6 4 5 3 4 12 100 15 2 4 19 3 6 11 8 22 2 4 5 2 2 2 5 21 3 9 1 3 5 2 3 3 4 5 3 2 2 5 7 32 9 3 39 41 7 16 7 12 4 10 15 15 9 6 44 5 4 5 3 1 2 5 4 9 14 13 10 8 13 27 33 45 16 11 10 15 12 13 7 30 11 12 4 3 4 6 8 3 3 4 15 2 4 8 9 33 10 32 17 4 24 4 8 10 3 2 1 2 3 3 1 2 4 7 0 2 3 3 8 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 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 3 1 1 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 3 1 2 3 2 0 1 4 3 1 3 7 5 8 11 10 12 46 10 4 8 57 29 32 14 55 23 8 4 10 3 6 4 4 3 3 3 2 2 3 2 4 3 5 3 6 4 7 9 37 23 35 32 18 12 13 6 3 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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: 84 84 d 1H J 42 | 84 83 d 1H J 107 | 79 78 m 4H | 75 74 m 1H | 69 69 s 1H | 38 38 t 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1noc(N)c1C(N)=O
ir: 1 1 1 1 1 1 2 2 2 2 5 6 1 9 11 9 10 9 2 4 3 8 3 5 4 3 9 5 1 3 2 2 2 4 1 1 1 1 1 1 1 1 1 2 1 1 2 7 9 16 14 3 2 2 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 5 2 1 1 1 2 1 0 0 1 0 0 1 1 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 0 1 1 2 0 1 1 1 1 1 1 1 1 1 1 4 1 1 1 0 1 1 1 0 1 1 4 8 4 2 4 100 7 26 98 13 44 85 9 3 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 3 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 1 21 91 8 2 3 2 0 1 2 3 8 3 9 69 77 45 6 8 4 2 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 2H | 70 70 s 2H | 32 31 p 1H J 67 | 13 13 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cnc(Cl)c(Cl)c1
ir: 12 9 3 8 11 7 3 19 9 11 6 9 11 7 5 8 10 5 4 8 9 5 5 8 8 5 5 8 7 6 14 10 10 100 7 38 16 5 8 12 10 4 6 11 8 2 6 11 7 2 6 11 7 2 6 12 7 4 8 12 6 5 9 16 7 5 23 23 7 3 7 10 5 3 8 9 5 3 8 10 6 7 10 9 4 4 9 9 7 9 10 8 4 5 10 8 4 6 12 15 11 6 10 7 3 23 22 11 3 9 12 9 3 6 12 7 3 7 12 11 3 8 14 0 100 11 10 10 7 15 15 12 6 8 8 5 5 8 9 5 4 11 10 13 63 76 9 5 6 44 54 5 6 10 11 16 7 10 8 3 6 7 9 4 6 10 7 3 6 10 6 3 6 10 6 3 7 10 6 3 7 9 6 3 7 9 5 4 7 9 5 4 8 8 5 4 8 8 5 4 8 8 4 5 8 8 4 5 8 7 4 5 9 7 4 5 9 7 3 6 9 7 3 6 9 7 3 6 10 6 3 6 9 6 3 7 9 6 4 7 9 6 4 7 9 5 4 7 8 5 4 8 8 5 4 8 8 5 5 8 8 5 5 8 8 4 5 9 8 5 7 9 8 4 6 9 7 4 6 9 7 5 7 17 24 8 14 17 10 10 7 9 6 4 10 10 6 4 7 9 6 4 7 8 6 5 8 9 5 5 20 38 60 25 10 9 6 5 8 8 5 6 8 7 4 6 8 7 4 6 8 7 4 6 9 7 4 6 9 6 4 6 9 6 4 6 9 6 4 7 9 6 4 7 8 6 4 7 8 5 4 7 8 5 5 7 8 5 5 7 8 5 5 8 7 5 5 8 7 5 5 8 7 4 6 8 7 4 6 8 7 4 6 8 6 4 6 9 6 4; 1HNMR: 86 86 d 1H J 16 | 78 78 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(=Cc1cccc2c(=O)cc(C)oc12)C(=O)OCC1CCC1
ir: 5 4 4 7 11 6 8 2 4 5 4 7 5 5 2 2 1 4 5 4 3 2 3 2 14 4 3 1 2 3 3 2 2 2 4 3 9 6 14 17 42 83 14 15 4 6 4 1 2 5 9 0 2 4 2 1 2 3 2 4 4 10 7 6 10 15 34 9 8 12 9 20 10 5 4 8 5 5 16 10 4 2 1 1 1 2 0 1 2 3 3 14 2 4 1 1 2 3 4 2 4 9 27 4 8 3 1 5 9 13 5 13 22 7 4 5 8 12 2 6 6 9 7 21 17 5 2 6 5 25 11 17 19 10 56 6 4 4 16 9 6 15 100 9 5 0 2 13 7 76 19 2 2 6 8 3 3 2 7 11 19 5 7 15 5 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 3 6 2 2 2 2 2 5 9 9 3 7 10 10 5 11 29 23 24 64 38 6 3 3 6 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 82 81 s 1H | 81 81 dd 1H J 12 78 | 77 77 dd 1H J 12 82 | 74 74 t 1H J 80 | 61 60 q 1H J 14 | 41 41 d 2H J 47 | 25 24 s 2H | 23 23 d 3H J 13 | 21 20 tt 1H J 47 59 | 19 17 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NC(=O)c1cnc2ccccc2n1
ir: 2 6 5 14 4 8 5 18 9 4 4 4 17 3 12 7 14 13 7 10 8 23 6 16 7 2 3 7 9 1 10 3 3 5 6 4 12 2 4 3 4 5 36 18 37 6 64 17 32 10 2 6 5 7 12 21 6 3 3 8 4 2 40 4 2 1 3 12 5 4 7 7 25 16 8 11 11 7 3 5 5 1 4 3 8 11 6 1 2 3 6 7 1 2 17 8 4 7 21 3 12 6 3 2 4 5 12 3 2 2 5 5 12 7 4 8 14 7 4 2 2 2 2 4 3 4 4 2 2 4 10 5 3 6 3 1 1 2 3 28 2 2 9 6 53 10 11 32 5 8 9 6 6 12 32 7 13 18 13 6 40 20 3 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 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 2 2 1 1 1 2 2 0 2 3 3 1 3 3 6 5 17 71 25 13 8 3 3 3 1 1 61 0 1 2 1 0 3 2 1 36 6 2 2 2 6 13 100 12 3 3 9 97 49 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 93 93 s 1H | 92 91 s 1H | 80 80 m 2H | 79 78 td 1H J 13 86 | 76 75 td 1H J 14 85 | 75 75 d 1H J 77 | 74 74 t 1H J 74 | 74 73 dd 1H J 14 74 | 70 70 m 1H | 70 70 dd 1H J 10 20 | 69 69 dd 1H J 13 73 | 67 67 s 2H | 62 62 s 1H | 30 29 dddd 1H J 9 58 66 133 | 13 12 dd 6H J 7 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C/C(C)=C/C/C=C(\C)CC/C=C(\C)C=O
ir: 7 4 6 4 7 3 8 7 11 3 7 11 5 11 11 15 10 6 8 6 3 8 3 8 3 4 6 3 3 6 4 4 2 4 4 3 2 3 6 10 12 10 10 2 3 7 4 2 4 3 3 3 4 6 5 8 5 5 5 3 10 18 21 11 19 65 81 44 72 56 34 27 42 16 11 8 6 8 5 12 5 12 8 8 10 5 8 8 4 3 3 4 4 6 8 7 9 25 4 6 6 4 3 4 24 50 25 9 14 8 14 10 20 10 8 7 17 32 26 36 37 33 23 18 20 7 4 4 8 5 4 12 9 14 4 13 15 7 16 30 12 6 4 4 2 2 2 1 2 3 8 9 75 50 12 10 13 9 13 8 5 2 3 6 5 3 1 2 1 0 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 1 0 1 1 1 0 2 1 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 0 1 2 1 1 1 1 1 0 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 3 2 1 6 13 3 7 9 9 10 9 10 11 15 28 26 25 71 65 54 100 86 35 17 15 14 18 15 11 10 8 5 2 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 hept 1H J 10 | 65 64 tp 1H J 13 64 | 60 59 m 1H | 56 55 dd 1H J 16 169 | 55 55 tq 1H J 13 73 | 55 54 dd 1H J 16 114 | 53 52 tdq 1H J 13 27 67 | 27 26 tdt 2H J 10 20 76 | 25 24 tdt 2H J 11 64 85 | 21 21 tt 2H J 11 88 | 17 17 p 3H J 11 | 17 16 dq 6H J 12 158
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nn2c(Cl)cc(C(C)C)nc2c1S(=O)(=O)c1ccccc1
ir: 3 5 7 2 3 2 1 4 3 5 9 5 4 2 2 6 11 7 7 9 16 8 6 6 5 18 4 3 2 16 9 9 18 5 2 2 2 31 2 2 14 7 2 2 2 2 2 2 1 2 1 2 4 1 2 2 2 3 8 4 3 5 8 10 6 2 5 3 3 5 2 2 3 8 10 13 4 8 5 3 3 3 2 3 65 60 4 2 2 1 1 2 1 2 3 2 2 2 6 3 2 2 2 1 2 3 9 5 4 3 2 3 2 2 4 3 2 7 2 4 17 5 4 3 2 1 1 2 2 2 3 4 15 3 9 15 4 3 10 3 2 2 26 2 0 3 3 1 1 2 4 1 1 2 2 2 61 2 2 3 45 10 3 0 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 2 2 2 1 2 2 1 2 2 1 3 3 2 4 3 1 12 8 8 15 100 1 2 4 1 0 3 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 79 m 2H | 79 78 tt 1H J 13 71 | 77 77 m 2H | 70 70 d 1H J 18 | 33 32 pd 1H J 18 70 | 27 26 s 2H | 12 12 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
ir: 8 10 8 6 4 9 7 5 4 12 19 11 3 7 14 7 6 7 7 5 3 6 7 5 3 5 5 7 10 19 54 24 21 23 27 7 10 16 6 7 5 17 39 56 11 12 7 6 4 11 21 15 20 27 25 33 29 24 17 4 7 10 5 2 7 13 9 12 15 22 15 7 8 6 6 2 6 6 2 2 6 6 2 3 5 8 4 6 17 8 7 3 6 6 3 3 4 5 2 3 6 6 5 25 25 17 5 8 8 4 1 4 7 5 3 6 10 4 1 9 9 6 8 7 11 3 5 5 6 5 2 7 7 14 11 8 7 15 6 7 7 42 66 25 42 29 32 18 17 49 78 65 35 23 8 9 7 1 4 10 5 1 8 13 5 1 3 6 3 0 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 4 4 1 1 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 1 4 4 1 2 4 4 2 2 4 3 2 2 6 5 2 4 6 4 5 5 5 5 5 4 13 9 9 17 24 91 100 83 40 10 6 6 9 5 2 4 5 3 2 4 4 2 2 4 4 4 5 13 23 41 35 36 14 7 5 5 5 2 2 4 4 1 2 4 3 1 2 4 3 1 3 5 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 94 94 s 1H | 79 79 ddd 2H J 14 72 177 | 75 75 td 1H J 15 73 | 75 74 m 3H | 69 69 m 2H | 55 54 s 2H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)O)c1
ir: 14 11 7 9 9 14 8 10 10 9 8 10 12 9 8 9 10 8 17 10 17 21 69 76 23 15 14 9 9 12 11 8 8 10 10 9 8 9 9 7 8 9 9 7 10 10 10 19 12 15 9 8 9 9 9 7 8 14 15 15 31 11 11 18 9 12 12 15 25 13 43 18 12 15 22 21 18 29 59 30 9 9 9 9 10 9 11 10 9 11 11 42 10 9 8 8 8 7 79 9 11 9 6 11 9 8 7 8 10 9 6 8 11 10 10 10 9 9 9 10 16 16 14 13 13 14 10 9 15 16 11 12 8 85 15 17 20 9 9 20 43 13 14 10 10 7 7 11 12 0 100 5 8 11 9 10 8 9 10 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 9 9 8 8 9 9 9 9 11 10 8 13 23 35 14 17 11 9 6 12 20 35 99 10 5 14 19 16 30 24 18 11 12 15 79 32 12 14 12 10 10 9 9 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 9 8 7 8 8 8 7 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8; 1HNMR: 78 77 q 1H J 16 | 76 76 tt 1H J 9 22 | 76 75 t 1H J 73 | 74 74 ddd 1H J 12 22 75 | 74 73 ddq 1H J 10 22 73 | 40 39 tt 2H J 9 64 | 15 15 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2cc(N3CCNCC3)nc3ccccc23)cc1
ir: 2 1 1 1 1 2 2 3 2 2 1 1 2 2 3 1 1 1 1 1 1 1 2 2 3 2 3 14 3 1 4 8 27 4 2 2 1 3 3 6 2 60 13 35 24 6 3 1 6 18 6 2 8 32 100 19 17 3 3 3 3 2 4 6 11 19 5 13 13 4 12 2 7 2 5 14 4 2 3 2 2 2 1 1 7 5 5 10 2 2 2 2 2 1 4 2 3 3 3 7 6 3 2 3 2 3 7 8 14 34 31 6 7 5 8 11 12 7 4 4 4 4 3 4 3 3 2 6 3 10 5 5 6 9 6 13 6 7 10 3 3 3 33 33 12 5 6 9 8 9 22 3 3 4 2 4 10 27 2 2 2 0 20 6 11 4 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 1 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 4 8 14 25 68 47 9 9 4 4 2 2 2 2 1 2 2 2 2 2 4 5 3 17 44 19 3 2 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; 1HNMR: 83 82 m 1H | 80 79 m 1H | 76 74 m 7H | 74 73 m 1H | 72 71 s 1H | 36 36 m 4H | 27 27 m 4H | 19 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1n[nH]cc1-c1cccc(N2CCC(N3CCCC3)CC2)c1
ir: 10 9 2 5 4 6 1 2 2 3 4 5 11 4 3 4 2 2 4 5 2 5 3 3 4 8 5 4 6 12 18 10 15 11 9 5 9 6 10 11 10 12 15 37 7 67 20 79 22 43 15 14 6 8 17 40 28 13 10 13 4 4 8 2 6 7 9 13 15 7 3 4 7 6 4 7 4 5 27 14 16 22 14 21 6 13 17 7 7 5 5 5 12 18 25 17 14 5 12 3 7 10 4 6 10 49 47 60 32 20 21 39 43 38 20 18 22 11 7 10 6 17 15 18 32 12 7 8 12 17 100 46 53 5 14 7 6 5 10 10 24 38 27 4 4 2 3 3 3 2 13 23 24 57 9 22 21 33 7 7 6 3 5 39 4 5 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 2 2 1 1 1 2 2 3 1 4 3 2 4 2 5 16 22 18 29 11 14 15 21 14 9 19 81 81 83 37 76 75 46 40 38 10 7 13 22 47 41 39 10 11 18 49 14 26 6 11 11 7 14 90 16 17 5 3 2 2 2 2 3 5 5 4 6 4 2 2 2 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 86 85 d 1H J 38 | 79 78 d 1H J 38 | 73 72 t 1H J 76 | 69 68 ddd 1H J 13 22 79 | 68 68 ddd 1H J 11 22 73 | 66 65 t 1H J 22 | 62 62 s 2H | 35 34 ddd 2H J 52 80 124 | 33 32 ddd 2H J 52 80 123 | 27 26 m 4H | 25 25 p 1H J 53 | 21 20 ddt 2H J 53 80 117 | 18 17 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@](O)(c1ccc(Br)cc1)[C@@H]1CCC(F)(F)C1
ir: 6 17 1 2 6 2 1 3 14 1 4 5 4 5 3 3 3 6 13 15 3 6 76 100 14 9 1 4 6 4 1 3 2 1 1 4 1 0 1 2 2 1 1 2 1 1 1 1 1 0 2 3 4 14 15 8 7 2 2 1 2 1 1 1 1 2 1 1 2 4 3 2 4 3 3 1 2 4 8 80 8 3 2 4 3 4 4 3 4 4 23 50 10 2 3 4 0 3 6 2 4 9 3 2 2 3 8 8 4 10 13 8 10 2 9 12 3 8 7 3 1 3 4 3 3 5 9 10 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 24 14 5 3 14 3 2 1 1 3 1 1 1 1 0 0 0 1 1 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 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 2 4 2 2 3 2 1 2 3 11 3 19 23 12 2 4 3 3 2 4 53 1 84 37 3 2 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 73 73 m 2H | 48 48 s 1H | 30 29 m 1H | 25 23 m 2H | 22 20 m 1H | 21 20 m 1H | 20 19 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@H]1CNCC[C@]1(OC)c1ccccc1
ir: 4 3 5 7 5 4 3 4 3 7 6 10 5 6 8 12 9 4 6 14 30 11 18 5 5 5 19 23 15 19 30 64 49 33 15 16 9 4 4 4 84 100 27 3 3 5 4 9 3 3 6 8 14 13 10 17 13 5 5 10 14 10 11 28 21 9 6 15 26 20 23 4 6 5 6 3 12 7 11 8 5 4 4 2 2 1 2 2 1 1 4 2 3 10 13 5 2 2 2 2 1 2 2 2 0 2 3 3 0 3 4 13 31 31 18 51 20 27 8 10 13 4 10 13 15 22 17 19 16 13 9 14 4 3 9 33 47 7 3 3 4 6 2 14 22 11 8 2 2 3 3 1 13 11 3 2 1 1 1 1 3 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 3 1 2 3 3 2 3 6 10 26 41 44 73 16 10 6 6 4 2 1 4 4 3 2 4 4 6 7 7 11 29 88 65 14 6 5 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 73 m 2H | 73 72 m 2H | 71 70 tt 1H J 13 64 | 40 39 dp 1H J 15 48 | 38 37 tt 1H J 36 48 | 33 32 m 6H | 32 31 ddd 1H J 19 48 132 | 31 30 ddt 1H J 35 58 137 | 29 28 m 2H | 25 24 ddd 1H J 33 59 146 | 22 21 ddd 1H J 31 59 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccccc2)c(Br)c1
ir: 0 1 2 1 2 2 4 3 2 2 1 1 1 1 2 2 2 2 2 1 1 1 2 2 1 1 1 1 4 13 13 5 9 9 4 5 3 3 4 2 16 20 12 5 2 3 1 1 1 1 1 2 2 11 16 5 2 3 1 1 1 2 2 2 4 4 29 30 19 7 11 2 3 5 2 3 3 2 4 3 3 9 6 2 2 2 0 0 1 2 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 3 2 1 0 1 1 1 0 1 2 1 5 4 3 1 0 2 2 1 1 2 2 1 1 1 2 9 16 7 3 10 30 5 2 1 4 19 8 2 5 5 3 4 6 11 4 3 1 1 1 2 7 2 1 1 24 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 3 3 2 3 4 15 27 100 73 25 7 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 2H | 75 74 m 3H | 74 73 m 1H | 72 72 d 1H J 22 | 70 69 dd 1H J 22 84 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)c1ccc(-c2nc3c(N)c(F)cc(CCCCBr)c3n2CC(C)C)o1
ir: 0 9 10 12 13 8 11 6 2 5 3 4 11 10 16 30 14 8 4 2 2 2 4 3 1 2 1 1 3 2 4 3 6 6 7 14 7 9 12 10 5 21 78 10 2 5 5 3 2 1 1 7 4 2 3 4 2 2 7 23 24 3 3 1 4 23 29 13 22 4 3 5 22 18 12 16 9 100 85 13 40 65 35 36 12 7 3 4 6 8 6 10 3 4 14 5 3 10 2 19 41 9 13 17 29 16 10 10 5 9 9 11 8 9 5 8 26 16 22 19 13 7 9 5 9 4 6 3 3 9 9 15 4 3 2 1 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 2 6 15 22 5 1 2 3 1 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 2 4 5 2 8 6 7 9 4 3 10 4 9 8 46 74 23 13 28 8 4 5 1 4 11 8 2 1 1 1 0 0 0 0 0 1 3 30 0 1 0 0 0 1 0 0 0 1 3 52 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 d 1H J 48 | 70 69 d 1H J 48 | 68 68 dt 1H J 9 121 | 53 53 d 2H J 35 | 42 41 d 2H J 57 | 41 40 dq 4H J 69 84 | 34 34 t 2H J 44 | 29 29 td 2H J 8 71 | 20 19 m 1H | 19 19 ttd 2H J 8 44 75 | 18 17 pd 2H J 9 71 | 14 13 td 6H J 7 69 | 8 8 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(-c2cccs2)c2c1COc1cc(OC)c(C=C(C)C)cc1-2
ir: 2 2 1 1 0 1 3 2 3 12 8 8 6 3 3 2 4 3 7 1 1 1 2 2 1 0 0 1 2 1 1 2 2 1 2 3 6 1 27 100 17 2 1 0 1 4 1 1 1 3 1 0 0 4 1 0 1 0 1 2 2 2 2 2 2 5 6 14 8 6 2 12 4 5 8 8 6 16 2 1 3 0 0 0 0 0 1 1 1 0 0 1 0 2 3 1 7 8 1 0 2 16 5 5 3 2 2 1 0 1 1 1 1 2 2 4 1 3 3 5 8 7 4 2 2 5 4 3 9 2 35 1 1 20 5 3 2 12 2 1 1 1 5 1 1 2 7 2 2 2 10 1 3 1 7 5 2 2 4 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 2 10 8 9 5 40 20 34 39 17 2 2 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 s 1H | 75 74 dd 1H J 16 38 | 72 71 dd 1H J 38 57 | 71 70 dd 1H J 16 57 | 68 68 s 1H | 67 66 h 1H J 15 | 53 53 s 2H | 44 43 q 2H J 64 | 39 39 s 2H | 20 19 p 3H J 13 | 18 18 p 3H J 13 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Oc3ccc4[nH]ncc4c3)c2cc1OCCCN1CCN(C(C)=O)CC1
ir: 1 1 3 1 0 1 3 5 2 3 4 22 16 7 6 2 1 5 12 1 5 8 29 9 7 3 7 9 3 11 34 7 6 6 4 5 1 5 5 7 16 8 4 5 2 1 2 4 4 1 26 3 9 4 11 5 2 2 2 1 5 4 9 4 3 5 11 18 23 30 12 9 4 4 2 1 3 1 1 0 10 6 3 13 19 15 3 2 2 2 3 3 1 2 4 2 4 9 4 26 7 9 8 8 2 4 3 5 15 12 13 12 58 7 3 3 3 2 1 2 4 2 5 6 7 13 18 8 4 5 6 3 2 1 3 2 2 9 2 2 3 10 100 20 7 10 7 51 3 3 1 3 2 5 8 15 44 17 4 1 1 1 1 2 2 0 3 27 3 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 2 2 2 2 2 1 1 1 1 3 6 20 8 10 53 18 4 2 2 1 1 1 1 1 1 1 2 1 1 0 0 0 1 0 0 0 2 1 9 21 18 8 10 3 2 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 83 83 d 1H J 17 | 76 75 m 3H | 74 74 dd 1H J 24 77 | 72 72 s 1H | 41 41 t 2H J 66 | 39 39 s 3H | 35 35 m 4H | 28 27 t 2H J 65 | 27 26 m 4H | 21 21 s 3H | 19 18 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC([C@H]2C[C@H]2COCc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1
ir: 3 3 2 3 6 2 0 3 9 4 12 6 6 2 2 3 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 6 3 3 2 2 2 2 1 1 2 2 1 2 3 1 1 2 3 2 1 2 3 2 1 2 4 5 10 11 8 7 4 3 4 2 1 2 2 2 1 1 1 2 4 3 3 9 100 12 5 1 0 3 3 0 2 9 3 1 1 3 2 1 2 3 3 1 4 11 5 0 3 3 3 0 2 3 2 1 2 8 4 3 4 5 4 3 3 3 2 2 4 4 2 1 3 3 2 3 4 4 1 1 2 2 1 1 15 3 2 1 3 3 7 2 3 3 1 1 3 2 0 5 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 3 6 8 6 2 5 7 3 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 72 72 dq 2H J 9 115 | 46 45 m 2H | 37 37 ddd 2H J 62 89 121 | 35 34 m 3H | 33 32 m 4H | 18 17 dddd 2H J 26 62 89 124 | 17 16 ddq 1H J 27 55 106 | 16 15 dddd 2H J 54 62 90 124 | 15 14 s 7H | 12 11 dtt 1H J 53 75 97 | 11 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1nc2ccccc2n1CC(=O)N1CCNCC1)C1CCCc2cccnc21
ir: 4 2 2 8 10 6 5 3 6 3 7 5 6 4 2 4 21 14 3 3 2 10 14 3 3 10 10 7 12 3 1 4 6 42 22 8 3 2 4 9 22 33 17 100 4 3 3 10 4 4 5 7 10 10 63 39 17 2 7 6 10 19 21 24 13 12 13 4 9 7 12 8 6 4 10 10 6 1 3 3 1 2 3 18 36 15 23 12 7 11 7 7 6 13 6 3 3 3 5 8 6 3 4 2 1 3 8 8 2 25 32 24 23 10 9 15 7 13 15 12 13 8 11 10 15 12 6 17 17 7 20 3 6 11 9 22 18 16 27 11 5 8 5 3 2 5 54 6 89 16 4 6 3 3 20 20 11 5 2 1 3 5 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 3 1 4 4 8 3 6 5 5 3 6 15 17 8 18 39 38 22 9 6 3 2 2 3 1 0 2 2 2 3 3 5 7 5 23 20 7 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 85 84 dd 1H J 20 48 | 76 74 m 3H | 74 73 td 1H J 13 72 | 72 72 m 2H | 49 49 s 2H | 41 40 d 1H J 137 | 40 39 d 1H J 137 | 39 38 tq 1H J 15 60 | 36 35 m 4H | 29 29 m 4H | 29 27 m 2H | 25 24 d 3H J 15 | 22 21 m 2H | 21 19 m 1H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(CCl)cn2c1
ir: 9 5 2 4 9 5 2 4 7 4 1 5 8 3 2 5 6 4 3 5 6 3 5 6 6 2 2 5 6 3 2 5 5 1 3 7 6 7 5 6 5 2 6 10 13 8 8 12 9 0 4 8 4 0 4 9 6 5 32 97 9 15 6 27 58 22 16 8 5 5 7 6 4 6 5 5 3 3 4 5 3 2 5 5 3 3 5 5 3 3 9 9 10 5 6 6 4 6 12 6 4 8 9 5 2 3 7 4 3 7 17 7 2 4 6 4 1 4 6 4 4 6 11 6 2 4 8 6 5 5 6 3 2 5 5 3 2 4 5 2 4 5 5 2 3 5 5 7 82 10 8 4 4 8 30 28 7 6 4 2 4 6 37 9 3 6 4 1 3 6 4 2 4 6 4 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 5 3 4 7 5 3 4 6 5 3 10 11 9 6 8 21 31 69 100 27 12 9 6 6 5 4 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2; 1HNMR: 85 85 m 1H | 80 79 q 1H J 7 | 73 72 d 1H J 88 | 71 70 dd 1H J 13 88 | 46 46 d 2H J 10 | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccccc1O[C@H]1CCNC1
ir: 2 1 1 2 3 1 0 1 1 1 0 1 2 2 0 3 5 2 0 2 2 1 1 2 1 1 1 1 1 1 0 1 2 0 2 2 2 1 5 2 9 3 50 32 11 6 5 13 5 8 4 2 2 2 2 6 3 9 10 20 11 13 8 5 6 8 6 25 36 35 17 8 6 5 10 33 8 1 2 2 2 4 5 6 4 8 3 3 1 1 4 4 3 3 2 2 1 1 2 2 3 6 10 5 11 15 19 32 19 13 12 10 10 26 24 11 8 4 5 3 5 8 10 21 6 4 2 1 1 1 1 1 1 1 2 3 20 78 5 3 3 11 6 2 1 2 3 9 18 16 2 1 1 2 2 0 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 1 2 1 1 1 2 1 0 3 3 4 2 3 4 3 0 6 8 17 6 44 100 58 8 3 3 2 2 1 1 1 1 1 1 1 1 2 4 5 7 20 53 6 5 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 2H | 72 71 m 1H | 69 69 ddd 1H J 10 37 95 | 49 48 m 1H | 33 33 dd 1H J 38 128 | 31 30 dddd 2H J 24 42 69 153 | 30 29 ddt 1H J 26 42 133 | 24 23 tt 1H J 28 38 | 23 22 ddt 1H J 25 46 135 | 21 20 dtd 1H J 24 44 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)cc(F)c1C1=NC(C)(C)CO1
ir: 10 8 7 6 6 5 6 6 7 9 9 6 7 6 6 6 6 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 5 6 8 13 8 6 8 6 8 6 6 5 5 5 5 5 8 8 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 8 5 5 5 5 5 5 6 6 6 9 5 6 6 8 8 7 14 25 9 7 5 7 8 7 6 6 6 6 5 5 5 6 6 6 6 6 5 20 19 5 5 5 5 5 5 5 5 5 11 9 8 5 8 6 5 5 5 6 12 14 6 6 5 0 100 9 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 5 5 5 5 5 5 6 6 6 16 14 7 29 28 9 6 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 70 68 m 2H | 42 41 s 2H | 25 25 s 3H | 14 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1
ir: 5 3 3 4 2 1 1 2 1 2 6 1 3 6 9 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 1 2 5 1 1 4 4 3 6 6 25 63 21 12 6 13 28 86 38 31 15 11 16 8 11 3 7 9 9 52 48 29 6 13 23 13 5 12 4 2 3 2 2 2 2 1 1 1 1 1 1 9 6 4 1 2 2 2 3 3 11 14 6 2 2 4 3 9 5 38 19 10 6 12 16 24 39 28 19 17 7 12 18 10 5 6 6 3 2 15 6 8 6 7 5 6 11 8 4 4 3 2 2 2 2 8 11 6 2 5 3 8 16 13 11 6 12 11 3 2 1 1 1 1 1 7 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 4 3 2 2 4 2 3 3 6 17 33 19 94 87 12 7 3 6 5 5 3 2 0 2 2 1 2 3 5 3 4 49 100 29 11 1 0 2 2 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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; 1HNMR: 72 72 m 2H | 70 70 m 2H | 68 67 d 1H J 89 | 67 66 dd 1H J 22 90 | 65 64 d 1H J 23 | 60 59 s 2H | 42 41 dd 1H J 49 123 | 40 39 dd 1H J 49 124 | 34 34 tt 1H J 40 49 | 32 31 dt 1H J 45 125 | 31 31 dddd 1H J 29 40 57 134 | 30 29 m 2H | 29 28 dddd 1H J 29 40 57 134 | 24 23 dp 1H J 46 93 | 22 21 dtd 1H J 29 57 141 | 19 18 dtd 1H J 29 57 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(N)c1nc(-c2ccccc2)cs1
ir: 3 3 4 4 4 3 4 3 2 5 5 2 1 2 3 2 1 2 2 2 1 2 2 2 2 4 4 5 5 7 6 6 14 9 4 3 5 2 15 29 50 22 17 19 21 9 16 14 5 4 6 9 10 8 8 3 3 2 3 3 4 4 4 8 9 3 4 12 19 37 9 5 7 5 16 62 15 7 3 2 4 4 1 1 3 5 3 2 3 3 8 4 7 22 4 6 11 4 3 1 3 2 1 2 3 3 5 6 3 2 0 2 4 2 0 3 6 14 12 16 17 5 6 5 6 13 16 5 7 3 4 9 11 6 12 38 24 67 100 20 13 16 9 3 5 8 26 8 4 3 4 5 20 5 2 2 2 2 2 2 2 2 2 1 6 1 2 2 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 4 5 4 3 4 3 2 3 3 3 2 7 6 11 38 32 18 84 45 76 14 10 6 6 3 3 1 3 4 2 4 23 43 10 4 4 4 2 4 19 19 43 54 9 6 5 3 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 78 78 m 2H | 75 74 m 2H | 74 74 ddt 1H J 13 66 81 | 71 71 s 1H | 49 49 s 2H | 36 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(C)nn(-c2ccc(Cl)nn2)c1O
ir: 3 1 0 2 4 2 0 4 5 3 5 5 5 17 13 9 8 16 22 10 8 3 2 3 2 1 2 4 9 2 1 2 2 0 3 3 2 1 2 5 6 9 3 2 1 1 1 4 4 1 2 5 2 29 15 3 3 0 1 3 2 1 2 2 1 0 1 4 5 2 6 9 3 1 2 3 2 0 2 2 1 2 2 3 2 11 8 2 1 1 2 5 21 20 4 2 0 1 2 2 0 3 5 53 5 1 2 1 0 1 2 1 0 3 2 1 0 6 5 3 1 2 2 3 2 1 2 1 0 1 2 8 8 1 2 2 9 12 11 1 1 2 2 1 7 3 2 5 13 5 10 35 9 3 2 38 41 2 2 21 4 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 0 1 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 3 2 1 6 10 9 3 11 26 5 7 5 6 100 82 35 4 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 d 1H J 81 | 78 77 d 1H J 81 | 26 26 s 3H | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNCCOc1c(Cl)cc(SCC(F)(F)F)cc1Cl
ir: 3 1 0 2 2 1 0 0 1 3 5 0 0 0 0 0 0 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 4 1 1 1 0 4 6 3 5 2 1 3 9 5 4 2 1 6 7 5 3 2 2 1 3 1 0 3 4 4 1 2 4 7 1 2 1 3 11 4 4 1 1 5 5 1 1 0 0 1 2 2 2 1 2 1 1 0 1 1 1 2 2 2 4 0 1 11 2 6 9 5 7 28 25 5 4 8 9 6 3 9 6 5 6 3 6 8 8 4 1 1 1 1 1 1 5 5 1 0 1 4 4 8 2 1 0 1 0 0 1 1 1 1 0 0 0 0 0 1 1 0 1 1 1 7 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 1 1 1 3 9 8 3 5 9 18 2 1 1 0 1 1 0 1 1 1 0 1 1 1 1 2 7 15 100 7 3 4 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 s 2H | 42 42 t 2H J 42 | 36 35 q 2H J 130 | 33 32 q 2H J 44 | 30 29 q 2H J 50 | 27 27 p 1H J 47 | 17 16 qt 2H J 51 73 | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1ccc(C(=O)O)c(C2=CC=CC(Br)(C=O)C2)c1
ir: 1 2 1 2 12 2 6 4 2 2 8 8 6 11 22 10 11 13 14 19 95 15 4 37 25 13 4 6 2 3 3 1 2 4 6 3 8 3 3 3 18 4 1 1 2 3 2 7 2 2 3 5 2 2 15 18 3 1 1 2 3 9 1 2 2 2 7 18 12 13 9 13 12 3 21 27 27 9 21 9 9 7 3 13 5 6 15 4 7 6 1 6 3 2 0 1 2 2 2 1 4 6 0 5 16 3 1 4 4 3 4 5 4 1 1 6 4 2 2 4 6 7 6 1 4 2 1 5 8 1 0 2 3 1 1 4 21 49 6 3 3 3 3 6 2 1 3 4 3 16 10 17 9 7 4 3 2 1 10 1 1 0 1 19 2 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 0 1 1 0 0 1 1 0 0 1 0 0 0 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 1 1 2 0 1 1 2 3 1 2 2 1 1 2 3 6 10 20 54 48 10 2 3 2 1 1 1 2 16 100 4 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 d 1H J 85 | 72 72 ddt 1H J 9 18 50 | 70 69 d 1H J 26 | 68 67 dd 1H J 28 86 | 66 66 ddt 2H J 10 21 41 | 51 51 s 2H | 35 35 s 3H | 30 30 dp 1H J 9 163 | 28 27 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1
ir: 7 6 5 7 10 22 16 4 9 8 7 17 12 12 11 8 13 3 8 8 16 16 19 14 7 13 9 21 15 27 26 20 22 27 13 12 12 42 33 98 70 53 37 18 12 6 14 13 9 8 5 6 5 9 28 49 30 19 16 16 7 0 2 5 8 1 5 37 77 63 30 18 6 9 23 3 3 2 2 3 2 1 4 9 12 9 49 24 22 23 100 15 5 3 4 2 24 50 22 33 4 31 37 14 18 80 96 40 12 6 1 2 5 4 8 8 4 12 11 14 24 15 14 5 12 5 7 7 9 10 16 10 11 6 2 2 4 2 3 5 10 20 5 3 10 11 27 32 12 59 17 63 28 7 9 3 15 5 19 3 3 5 10 5 1 2 2 1 9 18 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 2 2 2 2 2 3 2 2 4 4 7 3 8 12 43 16 8 59 45 19 90 45 15 10 7 5 2 2 2 2 1 2 2 2 2 1 1 2 1 3 3 5 6 15 39 39 63 47 21 6 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; 1HNMR: 95 95 s 1H | 88 88 d 1H J 16 | 82 82 t 1H J 19 | 81 81 dd 1H J 21 90 | 81 80 dd 1H J 21 91 | 80 79 d 1H J 24 | 76 76 s 1H | 74 74 d 1H J 20 | 72 71 qd 2H J 15 76 | 33 32 q 2H J 87 | 25 24 d 3H J 10 | 24 24 q 1H J 56 | 14 13 t 3H J 87 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(CC)c1CC1=NCCN1
ir: 9 13 17 10 13 14 2 16 13 14 34 17 16 10 6 14 6 9 8 4 3 4 6 3 5 13 9 18 7 5 3 3 4 8 3 5 1 3 2 2 3 4 3 1 5 12 15 30 13 23 12 3 2 3 2 0 4 3 2 1 2 5 1 0 3 6 6 2 12 12 6 2 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 4 9 3 4 4 3 1 2 3 3 4 5 7 5 13 4 9 2 1 3 4 5 2 2 4 4 1 3 5 4 14 4 8 4 2 3 5 8 0 3 6 4 0 5 5 4 2 31 26 59 100 78 21 45 8 5 4 6 14 33 57 28 11 9 2 2 2 2 4 6 3 2 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 2 3 1 1 1 2 3 4 2 3 3 4 5 8 32 21 16 34 34 32 10 4 2 2 2 1 1 2 3 1 2 4 2 2 1 2 3 3 2 4 5 54 63 86 12 5 2 4 5 6 5 6 8 3 2 2 1 1 1 2 2 1 1 2 1 0 1 2 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 70 69 m 2H | 69 68 dd 1H J 76 85 | 61 61 t 1H J 37 | 36 36 dd 2H J 34 47 | 36 35 dt 2H J 38 50 | 34 34 s 2H | 27 26 qd 4H J 9 75 | 12 12 t 6H 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)N[C@]1(C(=O)O)C[C@H]1C(F)F
ir: 3 4 2 2 2 2 2 3 11 3 4 5 5 6 8 6 7 10 20 33 59 39 37 9 3 12 7 7 12 23 14 42 20 9 10 7 6 16 8 2 1 2 1 1 2 5 3 3 1 4 3 0 1 3 1 1 2 1 1 2 1 1 1 1 1 1 1 2 2 2 3 7 10 15 14 2 9 8 54 8 4 7 9 6 3 5 3 7 4 6 3 2 1 1 2 1 2 1 4 4 11 4 1 1 1 1 2 1 0 1 3 2 2 2 4 4 2 2 2 4 2 2 2 3 4 5 5 2 4 12 14 5 1 1 1 0 1 1 2 4 4 11 100 26 6 4 8 6 10 29 18 16 3 3 1 0 1 1 1 3 5 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 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 1 0 2 1 2 1 0 0 0 0 0 0 0 1 2 5 4 17 2 3 10 2 1 2 3 2 1 2 3 42 64 13 5 2 1 2 1 0 1 1 1 1 1 2 6 43 9 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 62 61 m 2H | 23 22 tddd 1H J 31 62 71 114 | 21 20 ddt 1H J 29 61 75 | 18 17 tt 1H J 29 73 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(C(=O)NCc2ccccc2)CN1C(=O)OC(C)(C)C
ir: 7 4 7 3 1 2 5 3 6 5 13 13 7 10 10 2 3 5 3 2 5 2 3 2 5 3 3 2 3 8 14 5 6 12 20 8 10 17 8 7 19 9 5 3 5 4 3 3 2 3 2 1 2 4 2 2 3 3 2 1 2 3 3 1 3 7 2 2 6 5 2 1 2 3 1 1 2 3 3 0 2 2 1 1 2 2 1 1 4 7 1 2 3 3 1 1 4 3 4 3 5 6 6 4 3 2 1 5 3 3 3 15 8 3 1 2 4 5 4 7 6 6 4 6 5 3 3 3 7 10 9 6 15 14 14 5 5 2 1 2 4 7 61 26 8 13 19 7 4 3 10 100 8 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 3 2 2 6 7 4 8 9 12 10 11 13 5 3 2 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 2 5 6 15 28 11 3 2 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 74 72 m 6H | 72 71 t 1H J 58 | 44 43 m 2H | 41 40 h 1H J 60 | 40 39 dd 1H J 35 121 | 37 36 dd 1H J 37 121 | 30 29 tt 1H J 37 55 | 22 21 dt 1H J 59 134 | 19 18 m 1H | 15 14 s 7H | 13 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2c(F)cc(Cl)c(=S)n2Cc2ccccc2)c(Cl)c1OC(F)F
ir: 1 2 3 3 2 4 5 8 7 10 14 8 12 12 10 5 3 5 4 8 3 12 13 7 10 13 5 3 8 11 11 34 16 5 9 3 3 8 8 0 46 6 3 3 3 4 5 3 4 3 2 2 2 3 2 2 6 6 11 17 4 7 11 8 3 6 7 3 7 12 9 5 17 18 35 16 39 2 12 5 2 2 3 2 2 2 4 8 8 16 5 7 2 2 2 2 4 14 4 5 5 4 4 4 4 6 5 5 3 3 5 3 3 3 6 8 6 6 3 6 8 5 8 13 7 5 10 12 9 30 5 4 3 16 6 33 3 3 3 13 7 7 13 10 22 4 8 4 3 3 2 6 5 2 3 7 2 3 2 5 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 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 3 2 3 4 4 5 4 8 6 8 7 6 7 9 8 100 45 14 31 1 4 7 4 1 4 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 76 75 s 0H | 75 75 s 0H | 73 72 m 6H | 67 67 s 0H | 55 54 d 2H J 9 | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Br)cc(-c2nc(-c3ccccn3)no2)c1
ir: 2 7 6 8 8 6 4 3 2 2 2 1 1 2 3 2 3 3 3 8 4 3 4 1 1 4 7 3 26 21 5 5 7 7 3 39 23 11 37 100 12 5 4 2 1 2 1 1 2 4 2 2 7 12 16 18 5 1 2 4 4 2 3 5 10 8 47 86 48 20 26 6 2 3 2 4 3 4 7 6 5 15 6 4 2 3 4 4 8 4 20 12 3 2 2 3 7 3 29 6 2 2 2 3 4 2 2 2 4 2 2 2 2 1 2 3 2 5 4 7 1 2 3 6 74 25 7 3 11 13 37 28 22 18 14 9 10 9 3 3 3 12 23 14 6 3 4 5 5 4 5 4 4 7 24 4 6 18 12 5 4 5 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 2 3 2 1 16 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 2 1 1 1 1 1 2 2 1 1 3 2 2 2 3 3 4 10 42 59 39 84 37 10 8 5 7 3 2 4 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2; 1HNMR: 88 88 dd 1H J 17 41 | 83 82 dd 1H J 14 92 | 82 82 t 1H J 21 | 79 78 ddd 1H J 17 71 91 | 78 78 p 2H J 22 | 73 73 ddd 1H J 13 40 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNC1CC1
ir: 3 2 4 4 2 3 2 4 2 3 4 3 12 10 7 4 2 1 0 0 1 1 1 1 1 1 2 1 3 3 3 2 5 11 16 11 11 11 40 25 28 54 30 25 23 4 4 4 2 10 4 2 2 1 1 1 1 1 1 3 1 3 4 6 2 3 3 15 12 9 14 8 6 1 1 3 2 4 2 1 0 1 1 1 2 3 5 11 3 2 1 1 3 3 8 2 1 4 5 9 2 3 2 1 2 4 7 5 2 2 5 3 4 5 8 12 55 100 30 17 10 15 13 27 57 9 3 8 3 3 2 3 1 1 1 2 2 2 1 1 1 1 1 1 1 1 3 2 3 2 6 2 2 3 2 1 1 1 1 0 4 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 3 3 3 4 8 14 11 11 14 7 6 4 4 10 10 4 2 1 1 1 1 1 1 1 2 1 3 6 71 56 69 39 17 8 3 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 27 27 td 2H J 34 61 | 27 26 dt 1H J 34 67 | 25 24 dp 1H J 45 66 | 16 15 dp 1H J 66 134 | 15 14 dt 2H J 60 69 | 9 8 m 8H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nccnc1OCc1ccccc1
ir: 0 1 1 1 0 0 1 0 0 1 5 13 2 2 3 1 1 0 1 0 0 0 1 1 0 0 0 1 0 0 1 3 1 1 1 1 1 1 1 3 25 1 1 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 0 0 3 1 0 0 1 1 0 0 1 0 1 0 100 1 2 1 1 1 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 3 6 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 1 5 1 0 0 0 0 0 1 7 8 2 1 0 0 1 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 2 3 2 3 5 3 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 35 | 81 81 d 1H J 35 | 74 74 ddt 2H J 9 16 67 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 54 53 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccnnc1)c1ccccc1
ir: 1 1 0 4 9 1 0 1 1 1 1 4 6 1 1 1 1 1 0 2 4 1 0 2 2 0 0 3 2 0 0 2 2 4 8 100 13 12 3 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 0 0 0 1 1 2 0 1 1 1 0 4 6 3 3 4 1 1 1 1 2 1 1 1 1 3 0 1 1 0 0 1 1 3 2 1 1 1 1 1 1 2 2 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 4 4 2 2 4 4 5 3 1 1 1 1 2 0 1 1 4 0 0 1 1 1 4 60 22 9 13 25 26 6 2 1 3 4 4 1 1 1 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 3 2 5 5 19 14 6 2 2 1 1 1 0 1 0 1 1 1 0 1 1 1 1 2 2 2 6 7 8 20 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 92 m 1H | 91 90 d 1H J 39 | 80 79 t 1H J 66 | 78 78 m 2H | 75 75 m 2H | 75 74 m 2H | 46 46 dt 2H J 9 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCOc1ccc(CC(Cl)C(N)=O)cc1)c1nc2ccccc2o1
ir: 3 1 1 2 2 2 0 1 3 6 21 16 1 5 8 7 15 7 8 8 2 3 9 4 2 1 1 2 2 3 5 3 5 4 23 6 3 1 2 1 2 2 4 10 1 3 3 1 2 1 1 1 2 6 4 23 10 0 1 2 1 2 1 1 2 1 3 2 4 6 2 0 1 1 1 1 2 4 3 2 1 0 1 1 1 2 1 2 4 1 3 2 1 1 1 2 3 11 5 1 2 1 1 2 1 1 2 2 1 1 1 1 0 3 1 3 7 2 1 1 1 1 1 2 2 3 8 2 1 2 5 2 2 2 12 2 1 11 13 0 1 4 4 7 26 37 7 9 14 8 2 2 4 3 3 2 2 10 8 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 1 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 2 2 1 1 1 3 3 1 3 4 4 23 100 14 5 4 2 1 1 1 1 1 0 1 1 1 1 2 1 5 45 1 1 2 1 0 0 1 1 0 1 4 33 33 7 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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; 1HNMR: 78 77 dd 1H J 16 86 | 76 76 dd 1H J 16 74 | 75 74 m 2H | 72 71 dq 2H J 9 84 | 68 68 m 2H | 68 68 s 2H | 45 44 t 1H J 64 | 42 41 t 2H J 65 | 39 38 t 2H J 65 | 33 32 ddt 1H J 9 64 134 | 32 32 s 2H | 31 30 ddt 1H J 9 64 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1OC
ir: 9 2 2 4 3 2 2 3 2 2 1 2 5 12 5 3 3 6 5 4 5 4 8 15 12 24 4 8 12 18 6 6 22 30 12 8 12 26 16 11 4 2 2 2 5 2 5 5 5 9 10 25 16 29 88 17 10 12 7 4 4 2 4 13 5 2 3 8 35 16 3 11 2 1 3 2 1 1 1 2 1 1 2 2 1 2 6 6 5 3 10 4 10 11 15 5 2 3 3 8 14 2 2 1 1 1 1 1 1 1 1 1 3 5 4 3 4 4 10 6 3 3 8 6 10 10 6 4 2 4 2 1 1 1 1 1 1 2 2 2 2 2 12 51 100 68 17 12 18 20 29 8 6 14 6 2 2 2 1 0 1 2 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 2 1 3 6 2 3 2 3 2 4 4 6 23 11 64 52 24 11 8 12 3 1 3 1 1 1 1 1 1 1 1 1 1 4 2 5 14 7 13 24 18 14 2 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 4H | 72 71 t 1H J 56 | 68 68 d 1H J 81 | 67 67 dq 2H J 9 90 | 44 44 dt 2H J 9 56 | 39 38 d 6H J 22 | 29 28 tt 2H J 9 82 | 25 24 t 2H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cc(Br)ncc1[N+](=O)[O-]
ir: 9 5 0 6 11 7 4 11 10 8 14 14 25 21 6 22 11 7 7 11 9 5 4 14 10 6 4 10 10 5 4 9 11 3 8 11 43 21 36 26 9 4 5 8 6 1 4 8 6 1 4 8 5 0 5 10 7 5 5 9 5 1 5 14 11 9 16 15 4 1 5 10 4 3 8 7 8 3 7 14 3 2 6 7 2 2 7 6 2 4 8 6 1 6 14 15 20 5 8 6 1 4 9 6 2 4 13 13 3 4 10 8 1 7 11 5 2 6 17 6 3 6 14 12 9 10 10 5 3 7 8 11 10 23 11 7 6 12 9 3 3 6 6 2 2 7 6 4 6 27 23 74 4 23 16 9 4 22 11 5 6 19 100 51 8 5 5 3 4 6 4 2 4 7 4 2 5 7 4 1 5 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 6 6 3 3 6 6 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 8 7 4 25 16 7 3 6 7 4 2 5 7 4 2 5 7 4 2 6 8 6 7 6 9 4 7 9 41 44 28 15 9 5 10 7 10 4 4 6 5 2 3 6 5 2 4 7 5 2 4 6 4 2 4 7 4 2 4 7 4 2 4 6 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 88 87 s 1H | 69 69 s 1H | 64 64 t 1H J 41 | 36 35 qd 2H J 41 61 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)Nc1cc([C@@H](O)CN)ccc1O
ir: 10 5 3 2 3 4 12 5 1 3 6 6 6 8 5 6 4 4 3 2 3 2 2 3 3 5 6 3 1 3 7 4 2 2 3 3 5 3 4 5 3 2 1 3 2 2 1 2 2 1 4 2 4 5 3 6 5 3 3 4 3 4 3 4 2 3 3 7 30 15 6 5 2 5 6 8 10 6 3 4 6 4 4 4 2 5 13 16 24 13 3 4 2 17 12 5 5 3 3 5 7 2 2 4 9 2 3 3 4 4 1 3 2 4 4 2 1 2 4 3 3 2 3 3 3 2 5 6 15 10 8 9 10 10 13 5 6 9 2 1 1 1 1 1 2 7 2 0 0 1 2 1 0 1 4 3 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 1 0 0 0 1 1 1 1 0 1 2 1 1 1 0 1 2 1 2 2 2 2 5 5 4 9 9 11 3 5 6 22 12 12 53 27 5 3 5 4 13 8 4 11 5 5 8 10 100 85 18 12 18 42 31 12 3 3 2 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 73 72 dd 1H J 8 21 | 70 69 m 1H | 68 68 d 1H J 88 | 66 65 s 1H | 48 47 tdd 1H J 8 38 48 | 36 36 d 1H J 49 | 34 32 m 2H | 31 30 dtd 1H J 41 67 124 | 22 22 t 2H J 67 | 13 13 d 6H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.