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Phenylmalonic acid, diethyl ester
SpectraBase Compound ID DLTnjS0bbC9
InChI InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RZKdNKzrlG
Name Propanedioic acid, phenyl-, diethyl ester
Alternate Name(s) Diethyl 2-phenylmalonate 2-Phenylmalonic acid diethyl ester 2-Phenylpropanedioic acid diethyl ester Diethyl 2-phenylpropanedioate Diethyl phenylmalonate Malonic acid, phenyl-, diethyl ester Phenylmalonic acid diethyl ester AI3-07022 EINECS 201-456-5 NSC 53560
CAS Registry Number 83-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey FGYDHYCFHBSNPE-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(=O)(C(C(OCC)=O)c1ccccc1)OCC
SPLASH splash10-01tl-7900000000-261368fee1d97a205941
Wiley ID 1496234