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

*Links on SpectraBase are not permalinks.

Sebacic acid, di(1-phenyl-2,2,2-trifluoromethylethyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(1-phenyl-2,2,2-trifluoromethylethyl) ester
SpectraBase Compound ID 3xFxtKIMKSO
InChI InChI=1S/C26H28F6O4/c27-25(28,29)23(19-13-7-5-8-14-19)35-21(33)17-11-3-1-2-4-12-18-22(34)36-24(26(30,31)32)20-15-9-6-10-16-20/h5-10,13-16,23-24H,1-4,11-12,17-18H2
InChIKey PIMLFEBSXKKYCL-UHFFFAOYSA-N
Mol Weight 518.5 g/mol
Molecular Formula C26H28F6O4
Exact Mass 518.189178 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 BIu1k2aAfuo
Name Sebacic acid, di(1-phenyl-2,2,2-trifluoromethylethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.189178356 u
Formula C26H28F6O4
InChI InChI=1S/C26H28F6O4/c27-25(28,29)23(19-13-7-5-8-14-19)35-21(33)17-11-3-1-2-4-12-18-22(34)36-24(26(30,31)32)20-15-9-6-10-16-20/h5-10,13-16,23-24H,1-4,11-12,17-18H2
InChIKey PIMLFEBSXKKYCL-UHFFFAOYSA-N
Molecular Weight 518.496 g/mol
SMILES C(CCCCCCCC(OC(C1=CC=CC=C1)C(F)(F)F)=O)C(OC(C1=CC=CC=C1)C(F)(F)F)=O