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2-Methyl-5-[1-(methoxycarbonyl)ethyl]-1-(3-oxobutyl)cyclohexane-6-one
SpectraBase Compound ID JTu9RskQn2h
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-YDVZDBMUSA-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 G6QSJr54RxH
Name 2-Methyl-5-[1-(methoxycarbonyl)ethyl]-1-(3-oxobutyl)cyclohexane-6-one
Alternate Name(s) (R)-2-[(1S,4R)-4-Methyl-2-oxo-3-(3-oxo-butyl)-cyclohexyl]-propionic acid methyl ester Methyl 2-[4-methyl-2-oxo-3-(3-oxobutyl)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-YDVZDBMUSA-N
Molecular Weight 268.353 g/mol
SMILES C1([C@]([C@](C(=O)OC)(C)[H])(CC[C@](C1CCC(=O)C)(C)[H])[H])=O
SPLASH splash10-0udi-0590000000-6b8d63dd41bfe4cdaf67
Source of Spectrum KC-0-3440-10
Wiley ID 823928