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Dimethyl 3-Methyl-3-(4'-isobutyryl)phenylpropandioate
SpectraBase Compound ID LfdPBMyd6j3
InChI InChI=1S/C16H22O4/c1-11(2)10-12-6-8-13(9-7-12)16(3,14(17)19-4)15(18)20-5/h6-9,11H,10H2,1-5H3
InChIKey YDPOPMQPTRIQKD-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bi3M1VeB7Vp
Name Dimethyl 3-Methyl-3-(4'-isobutyryl)phenylpropandioate
Alternate Name(s) 2-(4-Isobutyl-phenyl)-2-methyl-malonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(2)10-12-6-8-13(9-7-12)16(3,14(17)19-4)15(18)20-5/h6-9,11H,10H2,1-5H3
InChIKey YDPOPMQPTRIQKD-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(c1ccc(cc1)CC(C)C)C
SPLASH splash10-066r-0790000000-64cf846a276d85f5e734
Source of Spectrum F-50-8125-19
Wiley ID 1282122