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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, octadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, octadecyl pentafluorophenyl ester
SpectraBase Compound ID YG7E3r4qhD
InChI InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-29(37)31(5-2,6-3)30(38)40-28-26(35)24(33)23(32)25(34)27(28)36/h4-22H2,1-3H3
InChIKey UQNAVIVIVJUNQY-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C31H47F5O4
Exact Mass 578.339451 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 BZ1sBzJENOo
Name Diethylmalonic acid, octadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.339450804 u
Formula C31H47F5O4
InChI InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-29(37)31(5-2,6-3)30(38)40-28-26(35)24(33)23(32)25(34)27(28)36/h4-22H2,1-3H3
InChIKey UQNAVIVIVJUNQY-UHFFFAOYSA-N
Molecular Weight 578.705 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC