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

*Links on SpectraBase are not permalinks.

Fumaric acid, 3,5-difluorophenyl hexadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-difluorophenyl hexadecyl ester
SpectraBase Compound ID 3jO3Fb8t2VO
InChI InChI=1S/C26H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-25(29)16-17-26(30)32-24-20-22(27)19-23(28)21-24/h16-17,19-21H,2-15,18H2,1H3/b17-16+
InChIKey QDCCINZVTRJJPR-WUKNDPDISA-N
Mol Weight 452.6 g/mol
Molecular Formula C26H38F2O4
Exact Mass 452.273816 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 GwNwvCpFnMw
Name Fumaric acid, 3,5-difluorophenyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.273816026 u
Formula C26H38F2O4
InChI InChI=1S/C26H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-25(29)16-17-26(30)32-24-20-22(27)19-23(28)21-24/h16-17,19-21H,2-15,18H2,1H3/b17-16+
InChIKey QDCCINZVTRJJPR-WUKNDPDISA-N
Molecular Weight 452.583 g/mol
SMILES C(CCCCCCCOC(\C=C\C(OC1=CC(=CC(=C1)F)F)=O)=O)CCCCCCCC