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

*Links on SpectraBase are not permalinks.

Fumaric acid, 3,3-dimethylbut-2-yl ethyl ester

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

Fumaric acid, 3,3-dimethylbut-2-yl ethyl ester
SpectraBase Compound ID FnhaGDkIb7k
InChI InChI=1S/C12H20O4/c1-6-15-10(13)7-8-11(14)16-9(2)12(3,4)5/h7-9H,6H2,1-5H3/b8-7+
InChIKey FGMPNDDYAKNOAP-BQYQJAHWSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 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 ImZxRyAgEaM
Name Fumaric acid, 3,3-dimethylbut-2-yl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.136159120 u
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-6-15-10(13)7-8-11(14)16-9(2)12(3,4)5/h7-9H,6H2,1-5H3/b8-7+
InChIKey FGMPNDDYAKNOAP-BQYQJAHWSA-N
Molecular Weight 228.288 g/mol
SMILES C(OC(C(C)(C)C)C)(\C=C\C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926065