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

*Links on SpectraBase are not permalinks.

Sebacic acid, pentafluorobenzyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentafluorobenzyl pentyl ester
SpectraBase Compound ID 8bl86WE0Jhv
InChI InChI=1S/C22H29F5O4/c1-2-3-10-13-30-16(28)11-8-6-4-5-7-9-12-17(29)31-14-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey RCAZTVPBDHBZKN-UHFFFAOYSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H29F5O4
Exact Mass 452.1986 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 K6gfuSV1kJR
Name Sebacic acid, pentafluorobenzyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.198600225 u
Formula C22H29F5O4
InChI InChI=1S/C22H29F5O4/c1-2-3-10-13-30-16(28)11-8-6-4-5-7-9-12-17(29)31-14-15-18(23)20(25)22(27)21(26)19(15)24/h2-14H2,1H3
InChIKey RCAZTVPBDHBZKN-UHFFFAOYSA-N
Molecular Weight 452.462 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCC)=O