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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
SpectraBase Compound ID JrnlhessxXi
InChI InChI=1S/C28H46F8O4/c1-2-3-4-5-6-7-8-9-12-15-18-21-39-23(37)19-16-13-10-11-14-17-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h25H,2-22H2,1H3
InChIKey QNCFSAUNKUICCO-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C28H46F8O4
Exact Mass 598.326835 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 E20MLRzGATh
Name Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.326835261 u
Formula C28H46F8O4
InChI InChI=1S/C28H46F8O4/c1-2-3-4-5-6-7-8-9-12-15-18-21-39-23(37)19-16-13-10-11-14-17-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h25H,2-22H2,1H3
InChIKey QNCFSAUNKUICCO-UHFFFAOYSA-N
Molecular Weight 598.659 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F