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

*Links on SpectraBase are not permalinks.

Glutaric acid, eicosyl 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, eicosyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID Exqbj5Q5UcB
InChI InChI=1S/C29H49F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-25(37)21-20-22-26(38)40-24-27(30,31)28(32,33)29(34,35)36/h2-24H2,1H3
InChIKey CRKMZXNTODIMTR-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C29H49F7O4
Exact Mass 594.351907 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 Hxwmlwq45KP
Name Glutaric acid, eicosyl 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 594.351907195 u
Formula C29H49F7O4
InChI InChI=1S/C29H49F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-39-25(37)21-20-22-26(38)40-24-27(30,31)28(32,33)29(34,35)36/h2-24H2,1H3
InChIKey CRKMZXNTODIMTR-UHFFFAOYSA-N
Molecular Weight 594.696 g/mol
SMILES C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCCCCCCCCCCCCCCCCCCC)=O