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2-(3-keto-2-propyl-cyclohexen-1-yl)acetic acid methyl ester
SpectraBase Compound ID 58yh27hFztM
InChI InChI=1S/C12H18O3/c1-3-5-10-9(8-12(14)15-2)6-4-7-11(10)13/h3-8H2,1-2H3
InChIKey XMPICUZHHCDRPS-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4DrkdEfAWP
Name 2-(3-keto-2-propyl-cyclohexen-1-yl)acetic acid methyl ester
Alternate Name(s) 2-(3-oxo-2-propyl-1-cyclohexenyl)acetic acid methyl ester Methyl 2-(3-oxidanylidene-2-propyl-cyclohexen-1-yl)ethanoate Methyl 2-(3-oxo-2-propyl-cyclohexen-1-yl)acetate
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-5-10-9(8-12(14)15-2)6-4-7-11(10)13/h3-8H2,1-2H3
InChIKey XMPICUZHHCDRPS-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(=C(C(=O)CCC1)CCC)CC(=O)OC
SPLASH splash10-000j-4920000000-a558006c6756f09f70e0
Source of Spectrum K1-2000-538-17
Wiley ID 749620