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2-Benzylsuccinic acid, diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2-Benzylsuccinic acid, diethyl ester
SpectraBase Compound ID L82eXCsgjb6
InChI InChI=1S/C15H20O4/c1-3-18-14(16)11-13(15(17)19-4-2)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey JZJPBADSXBZWAZ-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9KNHavr3Etd
Name 2-Benzylsuccinic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-18-14(16)11-13(15(17)19-4-2)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey JZJPBADSXBZWAZ-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(=O)(CC(C(OCC)=O)CC=1C=CC=CC1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918556