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phenethylmalonic acid, diethyl ester
SpectraBase Compound ID 14iPeocKizE
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey LMFLGETWXFOVMQ-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cqg2gzUGVM
Name Propanedioic acid, (2-phenylethyl)-, diethyl ester
Alternate Name(s) Diethyl 2-(2-phenylethyl)malonate 2-Phenethylmalonic acid diethyl ester Diethyl 2-phenethylpropanedioate Diethyl 2-phenylethylmalonate Diethyl ester of 2-Phenethylmalonic acid 2-(2-phenylethyl)propanedioic acid diethyl ester AI3-02939 EINECS 229-610-7
CAS Registry Number 6628-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey LMFLGETWXFOVMQ-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(=O)(C(C(OCC)=O)CCc1ccccc1)OCC
SPLASH splash10-03ei-4900000000-8dee3d9c1dcd1ee1a43c
Source of Spectrum H-61-1754-0
Wiley ID 1267923