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1-Methyl-4-ethyl 2-phenylsuccinate
SpectraBase Compound ID SsgVKozO5m
InChI InChI=1S/C13H16O4/c1-3-17-12(14)9-11(13(15)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey NLGKQUAICLWDDR-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 3Oj5e1gejGC
Name 1-Methyl-4-ethyl 2-phenylsuccinate
Alternate Name(s) 2-Phenylbutanedioic acid O4-ethyl ester O1-methyl ester 2-Phenylsuccinic acid O4-ethyl ester O1-methyl ester 4-Ethyl 1-methyl 2-phenylsuccinate 4-O-ethyl 1-O-methyl 2-phenylbutanedioate O4-ethyl O1-methyl 2-phenylbutanedioate
CAS Registry Number 132545-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-17-12(14)9-11(13(15)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3
InChIKey NLGKQUAICLWDDR-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C(CC(=O)OCC)c1ccccc1)(=O)OC
SPLASH splash10-0fkc-3900000000-c3e562474b83c394346a
Source of Spectrum O-26-289-1
Wiley ID 1238120