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(6-Methoxypyridin-2-yl)(6-phenylpyridin-2-yl)pyridin-2-ylmethyl [(1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy]acetate
SpectraBase Compound ID 6T9uI9mRPhr
InChI InChI=1S/C35H39N3O4/c1-24(2)27-20-19-25(3)22-29(27)41-23-34(39)42-35(30-15-8-9-21-36-30,32-17-11-18-33(38-32)40-4)31-16-10-14-28(37-31)26-12-6-5-7-13-26/h5-18,21,24-25,27,29H,19-20,22-23H2,1-4H3/t25-,27+,29-,35?/m1/s1
InChIKey YAVJTSOAIGVQEA-YJLNOKARSA-N
Mol Weight 565.7 g/mol
Molecular Formula C35H39N3O4
Exact Mass 565.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS6aomtuGfY
Name (6-Methoxypyridin-2-yl)(6-phenylpyridin-2-yl)pyridin-2-ylmethyl [(1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy]acetate
Alternate Name(s) (6-methoxy-2-pyridinyl)(6-phenyl-2-pyridinyl)2-pyridinylmethyl {[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetate
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Formula C35H39N3O4
InChI InChI=1S/C35H39N3O4/c1-24(2)27-20-19-25(3)22-29(27)41-23-34(39)42-35(30-15-8-9-21-36-30,32-17-11-18-33(38-32)40-4)31-16-10-14-28(37-31)26-12-6-5-7-13-26/h5-18,21,24-25,27,29H,19-20,22-23H2,1-4H3/t25-,27+,29-,35?/m1/s1
InChIKey YAVJTSOAIGVQEA-YJLNOKARSA-N
Molecular Weight 565.714 g/mol
SMILES C(c1nc(-c2ccccc2)ccc1)(c1nc(OC)ccc1)(OC(=O)CO[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])c1ncccc1
SPLASH splash10-0udi-0009000000-f63a0bd58e43006702c4
Source of Spectrum SO-0-2489-6
Wiley ID 879012