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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester
SpectraBase Compound ID FigG2xfiShT
InChI InChI=1S/C21H30F2O4/c1-4-7-8-9-10-13-26-19(24)21(5-2,6-3)20(25)27-15-16-11-12-17(22)18(23)14-16/h11-12,14H,4-10,13,15H2,1-3H3
InChIKey GPTXZZDAXLEGSA-UHFFFAOYSA-N
Mol Weight 384.46 g/mol
Molecular Formula C21H30F2O4
Exact Mass 384.211216 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 INQAxywNMax
Name Diethylmalonic acid, 3,4-difluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.211215768 u
Formula C21H30F2O4
InChI InChI=1S/C21H30F2O4/c1-4-7-8-9-10-13-26-19(24)21(5-2,6-3)20(25)27-15-16-11-12-17(22)18(23)14-16/h11-12,14H,4-10,13,15H2,1-3H3
InChIKey GPTXZZDAXLEGSA-UHFFFAOYSA-N
Molecular Weight 384.464 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC