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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-formylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-formylphenyl undecyl ester
SpectraBase Compound ID 6kXH1qq1oHZ
InChI InChI=1S/C22H30O5/c1-2-3-4-5-6-7-8-9-12-17-26-21(24)15-16-22(25)27-20-14-11-10-13-19(20)18-23/h10-11,13-16,18H,2-9,12,17H2,1H3/b16-15+
InChIKey VHRFETBOIKVJPU-FOCLMDBBSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8ELGYs8LYZT
Name Fumaric acid, 2-formylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.209324061 u
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-2-3-4-5-6-7-8-9-12-17-26-21(24)15-16-22(25)27-20-14-11-10-13-19(20)18-23/h10-11,13-16,18H,2-9,12,17H2,1H3/b16-15+
InChIKey VHRFETBOIKVJPU-FOCLMDBBSA-N
Molecular Weight 374.477 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)C=O)=O)(OCCCCCCCCCCC)=O