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

*Links on SpectraBase are not permalinks.

4-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester
SpectraBase Compound ID 3j4KpRUM7Il
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(29)20-16-17-22(25)21(19-20)24(26,27)28/h16-17,19H,2-15,18H2,1H3
InChIKey CVIQODQCQNKCKR-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C24H36F4O2
Exact Mass 432.265143 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 LOx4669vQGW
Name 4-Fluoro-3-trifluoromethylbenzoic acid, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.265143049 u
Formula C24H36F4O2
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(29)20-16-17-22(25)21(19-20)24(26,27)28/h16-17,19H,2-15,18H2,1H3
InChIKey CVIQODQCQNKCKR-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)C(F)(F)F)=O)CCCCCC