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Acetic acid, 4-methoxy-2,5,5-trimethyl-3-oxocyclohex-1-enyl ester
SpectraBase Compound ID bEh3BdVeS5
InChI InChI=1S/C12H18O4/c1-7-9(16-8(2)13)6-12(3,4)11(15-5)10(7)14/h11H,6H2,1-5H3
InChIKey QTLJYVKHBMUWOA-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzqhuVxUghK
Name Acetic acid, 4-methoxy-2,5,5-trimethyl-3-oxocyclohex-1-enyl ester
Alternate Name(s) (4-methoxy-2,5,5-trimethyl-3-oxidanylidene-cyclohexen-1-yl) ethanoate (4-methoxy-2,5,5-trimethyl-3-oxo-cyclohexen-1-yl) acetate 4-Methoxy-2,5,5-trimethyl-3-oxo-1-cyclohexen-1-yl acetate Acetic acid (3-keto-4-methoxy-2,5,5-trimethyl-cyclohexen-1-yl) ester Acetic acid (4-methoxy-2,5,5-trimethyl-3-oxo-1-cyclohexenyl) ester
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Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-9(16-8(2)13)6-12(3,4)11(15-5)10(7)14/h11H,6H2,1-5H3
InChIKey QTLJYVKHBMUWOA-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES CC1=C(CC(C(C1=O)OC)(C)C)OC(=O)C
SPLASH splash10-000l-9300000000-8017e2109e2a13e134de
Wiley ID 1484617