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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-methylallyl propyl ester

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

Fumaric acid, 2-methylallyl propyl ester
SpectraBase Compound ID GDCCRqXmq5q
InChI InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h5-6H,2,4,7-8H2,1,3H3/b6-5+
InChIKey ULIPPDPNELHVBX-AATRIKPKSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 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 EuZRxkKFf2J
Name Fumaric acid, 2-methylallyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.104858991 u
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h5-6H,2,4,7-8H2,1,3H3/b6-5+
InChIKey ULIPPDPNELHVBX-AATRIKPKSA-N
Molecular Weight 212.245 g/mol
SMILES C(\C=C\C(OCC(=C)C)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943661