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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-ethoxyethyl isobutyl ester

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

Fumaric acid, 2-ethoxyethyl isobutyl ester
SpectraBase Compound ID 4UelPCEFjng
InChI InChI=1S/C12H20O5/c1-4-15-7-8-16-11(13)5-6-12(14)17-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKey ADXBSJILSUUIDO-AATRIKPKSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 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 1L0tzTTcd4
Name Fumaric acid, 2-ethoxyethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.131073739 u
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-4-15-7-8-16-11(13)5-6-12(14)17-9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5+
InChIKey ADXBSJILSUUIDO-AATRIKPKSA-N
Molecular Weight 244.287 g/mol
SMILES C(\C=C\C(OCC(C)C)=O)(OCCOCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943708