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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-methoxyphenyl tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methoxyphenyl tridec-2-yn-1-yl ester
SpectraBase Compound ID DVPlrMs0TsX
InChI InChI=1S/C24H32O5/c1-3-4-5-6-7-8-9-10-11-12-15-20-28-23(25)18-19-24(26)29-22-17-14-13-16-21(22)27-2/h13-14,16-19H,3-11,20H2,1-2H3/b19-18+
InChIKey JPSRYUVRDCWTHI-VHEBQXMUSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 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 Cozv5uVcbFJ
Name Fumaric acid, 2-methoxyphenyl tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.224974125 u
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-3-4-5-6-7-8-9-10-11-12-15-20-28-23(25)18-19-24(26)29-22-17-14-13-16-21(22)27-2/h13-14,16-19H,3-11,20H2,1-2H3/b19-18+
InChIKey JPSRYUVRDCWTHI-VHEBQXMUSA-N
Molecular Weight 400.515 g/mol
SMILES C(\C=C\C(OCC#CCCCCCCCCCC)=O)(OC1=C(OC)C=CC=C1)=O