For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzoylmalonic acid, diethyl ester
SpectraBase Compound ID I2b9Xo3P4KT
InChI InChI=1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey RIQBATDJIKIMBM-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7J0WQio587t
Name Propanedioic acid, benzoyl-, diethyl ester
Alternate Name(s) Diethyl 2-benzoylmalonate 2-Benzoylmalonic acid diethyl ester 2-Benzoylpropanedioic acid diethyl ester Diethyl 2-(phenylcarbonyl)propanedioate Diethyl 2-benzoylpropanedioate Diethyl benzoylmalonate Malonic acid, benzoyl-, diethyl ester
CAS Registry Number 1087-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O5
InChI InChI=1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey RIQBATDJIKIMBM-UHFFFAOYSA-N
Molecular Weight 264.277 g/mol
SMILES c1ccc(cc1)C(C(C(=O)OCC)C(=O)OCC)=O
SPLASH splash10-0a4j-9710000000-c95fdd32db66cdd5e514
Source of Spectrum C-87-5746-3
Wiley ID 1267763