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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLVYrxL3FVs
Name Butanedioic acid, phenyl-, dimethyl ester
Alternate Name(s) Dimethyl 2-phenylsuccinate 2-Phenylbutanedioic acid dimethyl ester 2-Phenylsuccinic acid dimethyl ester Dimethyl 2-phenylbutanedioate Dimethyl phenylsuccinate Succinic acid, phenyl-, dimethyl ester
CAS Registry Number 15463-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 222.240 g/mol
SMILES c1ccc(C(CC(OC)=O)C(=O)OC)cc1
SPLASH splash10-03kc-2900000000-d001c328802b2b1fc4b7
Source of Spectrum DC-0-4-15
Wiley ID 1222211