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Diethyl 2-butyl-2-methylmalonate
SpectraBase Compound ID 72PmYUEzgPi
InChI InChI=1S/C12H22O4/c1-5-8-9-12(4,10(13)15-6-2)11(14)16-7-3/h5-9H2,1-4H3
InChIKey VRSFJMZKROGYJJ-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BYvD061rOx
Name Diethyl 2-butyl-2-methylmalonate
Alternate Name(s) 2-Butyl-2-methyl-malonic acid diethyl ester 2-Butyl-2-methylpropanedioic acid diethyl ester Diethyl 2-butyl-2-methyl-propanedioate Diethyl butylmethylmalonate Malonic acid, butylmethyl-, diethyl ester
CAS Registry Number 55114-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-5-8-9-12(4,10(13)15-6-2)11(14)16-7-3/h5-9H2,1-4H3
InChIKey VRSFJMZKROGYJJ-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES CC(C(OCC)=O)(C(OCC)=O)CCCC
SPLASH splash10-00fr-4900000000-8a259058314bbca514c9
Source of Spectrum W5-1989-34438-31098
Wiley ID 1231642