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2-Methyl-5-[1-(methoxycarbonyl)ethyl]-1-(3-oxobutyl)cyclohexane-6-one isomer
SpectraBase Compound ID 3fgML92jAwq
InChI InChI=1S/C15H24O4/c1-9-5-7-13(11(3)15(18)19-4)14(17)12(9)8-6-10(2)16/h9,11-13H,5-8H2,1-4H3/t9-,11-,12+,13-/m1/s1
InChIKey YWAODNFVKGOCKN-FOUMNBMASA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GgibJnsdhY
Name 2-Methyl-5-[1-(methoxycarbonyl)ethyl]-1-(3-oxobutyl)cyclohexane-6-one isomer
Alternate Name(s) (R)-2-[(1R,3S,4R)-4-Methyl-2-oxo-3-(3-oxo-butyl)-cyclohexyl]-propionic acid methyl ester (2R)-2-[(1R,3S,4R)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propanoic acid methyl ester Methyl (2R)-2-[(1R,3S,4R)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propanoate Methyl (2R)-2-[(1R,3S,4R)-4-methyl-2-oxidanylidene-3-(3-oxidanylidenebutyl)cyclohexyl]propanoate
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Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-9-5-7-13(11(3)15(18)19-4)14(17)12(9)8-6-10(2)16/h9,11-13H,5-8H2,1-4H3/t9-,11-,12+,13-/m1/s1
InChIKey YWAODNFVKGOCKN-FOUMNBMASA-N
Molecular Weight 268.353 g/mol
SMILES C1([C@@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]1(CCC(=O)C)[H])(C)[H])[H])=O
SPLASH splash10-07cr-0930000000-18afea406b7a843f8c9f
Source of Spectrum KC-0-3440-5
Wiley ID 823927