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

*Links on SpectraBase are not permalinks.

6-Phenyl-5-hexenoic acid, methyl ester

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

6-Phenyl-5-hexenoic acid, methyl ester
SpectraBase Compound ID LwbhbZKhDpu
InChI InChI=1S/C13H16O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H,3,7,11H2,1H3/b10-6+
InChIKey CUAFVHKUQUVEAG-UXBLZVDNSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 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 CFxL3yC3ciX
Name 6-Phenyl-5-hexenoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-6,8-10H,3,7,11H2,1H3/b10-6+
InChIKey CUAFVHKUQUVEAG-UXBLZVDNSA-N
Molecular Weight 204.269 g/mol
SMILES C1=CC=C(C=C1)\C=C\CCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.992596