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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 3-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-fluorophenyl undecyl ester
SpectraBase Compound ID ItpwK8GLXEd
InChI InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-13-14-18-28-22(26)24(5-2,6-3)23(27)29-21-17-15-16-20(25)19-21/h15-17,19H,4-14,18H2,1-3H3
InChIKey BQKJCLQGXTWJNZ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H37FO4
Exact Mass 408.267588 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 9y8Oo7LsLvV
Name Diethylmalonic acid, 3-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-4-7-8-9-10-11-12-13-14-18-28-22(26)24(5-2,6-3)23(27)29-21-17-15-16-20(25)19-21/h15-17,19H,4-14,18H2,1-3H3
InChIKey BQKJCLQGXTWJNZ-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)F)=O)CC