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

*Links on SpectraBase are not permalinks.

Sebacic acid, hexyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, hexyl pentafluorobenzyl ester
SpectraBase Compound ID 3Zrfkcx98FR
InChI InChI=1S/C23H31F5O4/c1-2-3-4-11-14-31-17(29)12-9-7-5-6-8-10-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h2-15H2,1H3
InChIKey HVLBLGKCEGIEKV-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H31F5O4
Exact Mass 466.21425 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 LL7r4E2yQO3
Name Sebacic acid, hexyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.214250289 u
Formula C23H31F5O4
InChI InChI=1S/C23H31F5O4/c1-2-3-4-11-14-31-17(29)12-9-7-5-6-8-10-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h2-15H2,1H3
InChIKey HVLBLGKCEGIEKV-UHFFFAOYSA-N
Molecular Weight 466.489 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCC)=O