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

*Links on SpectraBase are not permalinks.

Fumaric acid, isobutyl tetrahydrofurfuryl ester

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

Fumaric acid, isobutyl tetrahydrofurfuryl ester
SpectraBase Compound ID 6cboENXmZzw
InChI InChI=1S/C13H20O5/c1-10(2)8-17-12(14)5-6-13(15)18-9-11-4-3-7-16-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+
InChIKey GHKLAYIXPAFIDW-AATRIKPKSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 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 ALM7mqlcqK
Name Fumaric acid, isobutyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.131073739 u
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-10(2)8-17-12(14)5-6-13(15)18-9-11-4-3-7-16-11/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+
InChIKey GHKLAYIXPAFIDW-AATRIKPKSA-N
Molecular Weight 256.298 g/mol
SMILES CC(COC(\C=C\C(OCC1CCCO1)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954353