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

*Links on SpectraBase are not permalinks.

Fumaric acid, hexyl isobutyl ester

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

Fumaric acid, hexyl isobutyl ester
SpectraBase Compound ID KxAWpsfCxrs
InChI InChI=1S/C14H24O4/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
InChIKey ABAIWFPHWQAGMZ-CMDGGOBGSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 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 8uCEppZLkjk
Name Fumaric acid, hexyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-4-5-6-7-10-17-13(15)8-9-14(16)18-11-12(2)3/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
InChIKey ABAIWFPHWQAGMZ-CMDGGOBGSA-N
Molecular Weight 256.342 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960456