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3-Phenyl-glutaric acid, dimethyl ester
SpectraBase Compound ID 4ZhTltZm1Xe
InChI InChI=1S/C13H16O4/c1-16-12(14)8-11(9-13(15)17-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey ZJXYACWWRPIGEQ-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 DX6ocoeuQa9
Name 3-Phenylglutaric acid dimethyl ester
Alternate Name(s) 3-Phenylpentanedioic acid dimethyl ester Dimethyl 3-phenylpentanedioate
CAS Registry Number 19006-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-12(14)8-11(9-13(15)17-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey ZJXYACWWRPIGEQ-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES c1ccc(cc1)C(CC(=O)OC)CC(=O)OC
SPLASH splash10-00or-2900000000-ab108373dbd32f3d56ca
Source of Spectrum C-98-1821-13
Wiley ID 1238014