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2-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)propanedioic acid diethyl ester
SpectraBase Compound ID C8pIzuLqEu7
InChI InChI=1S/C16H24O5/c1-6-20-14(18)13(15(19)21-7-2)12-10(3)8-16(4,5)9-11(12)17/h13H,6-9H2,1-5H3
InChIKey MKEMNUQJYPUHFR-UHFFFAOYSA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H24O5
Exact Mass 296.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mLXCj48ah5
Name 2-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)propanedioic acid diethyl ester
Alternate Name(s) 2-(6-keto-2,4,4-trimethyl-cyclohexen-1-yl)malonic acid diethyl ester Diethyl 2-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)propanedioate Diethyl 2-(2,4,4-trimethyl-6-oxo-cyclohexen-1-yl)propanedioate
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Formula C16H24O5
InChI InChI=1S/C16H24O5/c1-6-20-14(18)13(15(19)21-7-2)12-10(3)8-16(4,5)9-11(12)17/h13H,6-9H2,1-5H3
InChIKey MKEMNUQJYPUHFR-UHFFFAOYSA-N
Molecular Weight 296.363 g/mol
SMILES C1(C(C(=O)OCC)C(=O)OCC)=C(CC(CC1=O)(C)C)C
SPLASH splash10-0udi-0290000000-6f873358eec12f9a71eb
Source of Spectrum KC-57-2767-3
Wiley ID 1623611