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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, nonyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, nonyl pentafluorophenyl ester
SpectraBase Compound ID JyEh6VCfS9r
InChI InChI=1S/C22H29F5O4/c1-4-7-8-9-10-11-12-13-30-20(28)22(5-2,6-3)21(29)31-19-17(26)15(24)14(23)16(25)18(19)27/h4-13H2,1-3H3
InChIKey RSXSDCHXYZAJRF-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H29F5O4
Exact Mass 452.1986 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 FwlWhIpBGdv
Name Diethylmalonic acid, nonyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.198600225 u
Formula C22H29F5O4
InChI InChI=1S/C22H29F5O4/c1-4-7-8-9-10-11-12-13-30-20(28)22(5-2,6-3)21(29)31-19-17(26)15(24)14(23)16(25)18(19)27/h4-13H2,1-3H3
InChIKey RSXSDCHXYZAJRF-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC