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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID Hs20xlqyIOl
InChI InChI=1S/C28H47F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-23(36)25(5-2,6-3)24(37)39-22-26(29,30)27(31,32)28(33,34)35/h4-22H2,1-3H3
InChIKey GXJOTEMWFIGBEG-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C28H47F7O4
Exact Mass 580.336257 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 BZhCFjJBV1S
Name Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.336257130 u
Formula C28H47F7O4
InChI InChI=1S/C28H47F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-23(36)25(5-2,6-3)24(37)39-22-26(29,30)27(31,32)28(33,34)35/h4-22H2,1-3H3
InChIKey GXJOTEMWFIGBEG-UHFFFAOYSA-N
Molecular Weight 580.669 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC