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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 5eFl9X0Yj48
InChI InChI=1S/C25H40F8O4/c1-2-3-4-5-6-9-12-15-18-36-20(34)16-13-10-7-8-11-14-17-21(35)37-19-23(28,29)25(32,33)24(30,31)22(26)27/h22H,2-19H2,1H3
InChIKey HHXUFYWLDZOBAM-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C25H40F8O4
Exact Mass 556.279885 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 C8wYiCkspnl
Name Sebacic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.279885068 u
Formula C25H40F8O4
InChI InChI=1S/C25H40F8O4/c1-2-3-4-5-6-9-12-15-18-36-20(34)16-13-10-7-8-11-14-17-21(35)37-19-23(28,29)25(32,33)24(30,31)22(26)27/h22H,2-19H2,1H3
InChIKey HHXUFYWLDZOBAM-UHFFFAOYSA-N
Molecular Weight 556.578 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F