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1-O-ethyl 4-O-methyl 2-phenylbutanedioate
SpectraBase Compound ID DGbIAbBvyud
InChI InChI=1S/C13H16O4/c1-3-17-13(15)11(9-12(14)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey LGIUHNRTQMCEGP-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 2cxxq6sbP8H
Name 1-O-ethyl 4-O-methyl 2-phenylbutanedioate
CAS Registry Number 132545-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-17-13(15)11(9-12(14)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey LGIUHNRTQMCEGP-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C(CC(=O)OC)c1ccccc1)(=O)OCC
SPLASH splash10-0udi-4910000000-7fe357c395434b12135a
Source of Spectrum O-26-289-1
Synonyms 2-Phenylbutanedioic acid O1-ethyl ester O4-methyl ester 2-Phenylsuccinic acid O1-ethyl ester O4-methyl ester O1-ethyl O4-methyl 2-phenylbutanedioate
Wiley ID 1238119