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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester
SpectraBase Compound ID CVEd9UyApk4
InChI InChI=1S/C30H47F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-28(34)30(5-2,6-3)29(35)37-23-24-21-26(32)27(33)22-25(24)31/h21-22H,4-20,23H2,1-3H3
InChIKey OOZHABCBOWKWMG-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C30H47F3O4
Exact Mass 528.342644 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 JRpXvz4mIBj
Name Diethylmalonic acid, hexadecyl 2,4,5-trifluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.342644478 u
Formula C30H47F3O4
InChI InChI=1S/C30H47F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36-28(34)30(5-2,6-3)29(35)37-23-24-21-26(32)27(33)22-25(24)31/h21-22H,4-20,23H2,1-3H3
InChIKey OOZHABCBOWKWMG-UHFFFAOYSA-N
Molecular Weight 528.697 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=C(C(=C1)F)F)F)=O)CC