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Phenylsuccinic acid dimethyl ester

View entire compound with spectra: 3 NMR, and 6 MS (GC)

Phenylsuccinic acid dimethyl ester
SpectraBase Compound ID IHuMklricEw
InChI InChI=1S/C12H14O4/c1-15-11(13)8-10(12(14)16-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey CGVIBFZHFCVINR-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUbQYrNV9NL
Name Phenyl-succinic acid, dimethyl ester
CAS Registry Number 15463-92-0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-15-11(13)8-10(12(14)16-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey CGVIBFZHFCVINR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.E. James, J.K. Stille, J. Org. Chem. 41, 1504 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3