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

*Links on SpectraBase are not permalinks.

Valeric acid, undec-2-enyl ester

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

Valeric acid, undec-2-enyl ester
SpectraBase Compound ID GnFn5BGDEnQ
InChI InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+
InChIKey DNXKABMLNDEGAE-OUKQBFOZSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 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 GkMEkVEvwCd
Name Valeric acid, undec-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-3-5-7-8-9-10-11-12-13-15-18-16(17)14-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+
InChIKey DNXKABMLNDEGAE-OUKQBFOZSA-N
Molecular Weight 254.414 g/mol
SMILES C(=O)(OC\C=C\CCCCCCCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969317