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

*Links on SpectraBase are not permalinks.

Sebacic acid, octyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, octyl pentafluorobenzyl ester
SpectraBase Compound ID CLouvRf362O
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-10-13-16-33-19(31)14-11-8-6-7-9-12-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-17H2,1H3
InChIKey MLJCSDCUOCOTAZ-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H35F5O4
Exact Mass 494.24555 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 I4n3SFJEpay
Name Sebacic acid, octyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.245550418 u
Formula C25H35F5O4
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-10-13-16-33-19(31)14-11-8-6-7-9-12-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-17H2,1H3
InChIKey MLJCSDCUOCOTAZ-UHFFFAOYSA-N
Molecular Weight 494.543 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCCC)=O