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

*Links on SpectraBase are not permalinks.

Glutaric acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester
SpectraBase Compound ID 2ZWO5BjyvZH
InChI InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-24(33)17-16-18-25(34)36-21-22-20-23(29)27(31)28(32)26(22)30/h20H,2-19,21H2,1H3
InChIKey OBYJGIOTLDEOTQ-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C28H42F4O4
Exact Mass 518.301922 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 1kaPT6OPwP0
Name Glutaric acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.301922480 u
Formula C28H42F4O4
InChI InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-24(33)17-16-18-25(34)36-21-22-20-23(29)27(31)28(32)26(22)30/h20H,2-19,21H2,1H3
InChIKey OBYJGIOTLDEOTQ-UHFFFAOYSA-N
Molecular Weight 518.634 g/mol
SMILES C(OCC1=CC(=C(C(=C1F)F)F)F)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O