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2-(5-isopropenyl-3-keto-2-methyl-cyclohexyl)acetic acid methyl ester
SpectraBase Compound ID Lfm07y7NBIb
InChI InChI=1S/C13H20O3/c1-8(2)10-5-11(7-13(15)16-4)9(3)12(14)6-10/h9-11H,1,5-7H2,2-4H3
InChIKey WUMWBENNYNYNCU-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6A5kjF1jsOS
Name 2-(5-isopropenyl-3-keto-2-methyl-cyclohexyl)acetic acid methyl ester
Alternate Name(s) 2-[2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl]acetic acid methyl ester Methyl 2-(2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl)ethanoate Methyl 2-(2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl)acetate Methyl 2-(5-isopropenyl-2-methyl-3-oxo-cyclohexyl)acetate
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8(2)10-5-11(7-13(15)16-4)9(3)12(14)6-10/h9-11H,1,5-7H2,2-4H3
InChIKey WUMWBENNYNYNCU-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C(C(CC(=O)OC)CC(C1)C(=C)C)C)=O
SPLASH splash10-1000-3900000000-caddaff5a82f2fd76cc8
Source of Spectrum OL-17-1231-12
Wiley ID 1612063