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3-Phenylpropionic acid, phenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Phenylpropionic acid, phenyl ester
SpectraBase Compound ID IYGQTaLFZPw
InChI InChI=1S/C15H14O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey VIGODTIMSIHKSD-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4eX9JipNIj3
Name 3-Phenylpropionic acid, phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.099379689 u
Formula C15H14O2
InChI InChI=1S/C15H14O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey VIGODTIMSIHKSD-UHFFFAOYSA-N
Molecular Weight 226.275 g/mol
SMILES C1=CC(=CC=C1)CCC(OC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920901