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

*Links on SpectraBase are not permalinks.

(E)-3-hydroxy-2,2-dimethyl-5-phenyl-4-pentenoic acid methyl ester

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

(E)-3-hydroxy-2,2-dimethyl-5-phenyl-4-pentenoic acid methyl ester
SpectraBase Compound ID B3NHWB9P3y0
InChI InChI=1S/C14H18O3/c1-14(2,13(16)17-3)12(15)10-9-11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b10-9+
InChIKey LOTIFVYNXBIRHU-MDZDMXLPSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GY5KOH36CEH
Name (E)-3-Hydroxy-2,2-dimethyl-5-phenyl-4-pentenoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-14(2,13(16)17-3)12(15)10-9-11-7-5-4-6-8-11/h4-10,12,15H,1-3H3/b10-9+
InChIKey LOTIFVYNXBIRHU-MDZDMXLPSA-N
Molecular Weight 234.295 g/mol
SMILES C(C(=O)OC)(C(\C=C\C=1C=CC=CC1)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818431