For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(E)-3-hydroxy-5-phenyl-4-pentenoic acid ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E)-3-hydroxy-5-phenyl-4-pentenoic acid ethyl ester
SpectraBase Compound ID 9SvsXsLP285
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+
InChIKey GKJRUOHBIQZQNO-CMDGGOBGSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4frgxt5h8xl
Name (E)-3-Hydroxy-5-phenyl-4-pentenoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,2,10H2,1H3/b9-8+
InChIKey GKJRUOHBIQZQNO-CMDGGOBGSA-N
Molecular Weight 220.268 g/mol
SMILES C1(\C=C\C(CC(=O)OCC)O)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808933