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

*Links on SpectraBase are not permalinks.

Dimethylmalonic acid, hexadecyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, hexadecyl pentafluorobenzyl ester
SpectraBase Compound ID JbV3yHAT54I
InChI InChI=1S/C28H41F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-26(34)28(2,3)27(35)37-19-20-21(29)23(31)25(33)24(32)22(20)30/h4-19H2,1-3H3
InChIKey VDGJNZWCJJQIGB-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C28H41F5O4
Exact Mass 536.292501 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 JNR6UlEVXQK
Name Dimethylmalonic acid, hexadecyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.292500611 u
Formula C28H41F5O4
InChI InChI=1S/C28H41F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-26(34)28(2,3)27(35)37-19-20-21(29)23(31)25(33)24(32)22(20)30/h4-19H2,1-3H3
InChIKey VDGJNZWCJJQIGB-UHFFFAOYSA-N
Molecular Weight 536.624 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)(C)C)=O