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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, heptyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl pentafluorophenyl ester
SpectraBase Compound ID DSUnsp1TJ2p
InChI InChI=1S/C20H25F5O4/c1-4-7-8-9-10-11-28-18(26)20(5-2,6-3)19(27)29-17-15(24)13(22)12(21)14(23)16(17)25/h4-11H2,1-3H3
InChIKey RLMFWXITFTWQMU-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 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 1yb3CwCp0zk
Name Diethylmalonic acid, heptyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-4-7-8-9-10-11-28-18(26)20(5-2,6-3)19(27)29-17-15(24)13(22)12(21)14(23)16(17)25/h4-11H2,1-3H3
InChIKey RLMFWXITFTWQMU-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C(C(C(OCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC)C