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

*Links on SpectraBase are not permalinks.

4-Pentenoic acid, 4-(4-methylphenyl)-, ethyl ester

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

4-Pentenoic acid, 4-(4-methylphenyl)-, ethyl ester
SpectraBase Compound ID 1FueH1C47Gg
InChI InChI=1S/C14H18O2/c1-4-16-14(15)10-7-12(3)13-8-5-11(2)6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey IGWHOJIPFNKSCE-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 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 EMPWOFJiJTd
Name 4-Pentenoic acid, 4-(4-methylphenyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-4-16-14(15)10-7-12(3)13-8-5-11(2)6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey IGWHOJIPFNKSCE-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C(=O)(CCC(=C)C1=CC=C(C=C1)C)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818278