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

*Links on SpectraBase are not permalinks.

6-Fluoro-2-trifluoromethylbenzoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

6-Fluoro-2-trifluoromethylbenzoic acid, hexadecyl ester
SpectraBase Compound ID 6pT1e1JTbFh
InChI InChI=1S/C24H36F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30-23(29)22-20(24(26,27)28)17-16-18-21(22)25/h16-18H,2-15,19H2,1H3
InChIKey YOTWXRFUGHTRMR-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 KyJbRHuVLHm
Name 6-Fluoro-2-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30-23(29)22-20(24(26,27)28)17-16-18-21(22)25/h16-18H,2-15,19H2,1H3
InChIKey YOTWXRFUGHTRMR-UHFFFAOYSA-N
Molecular Weight 432.544 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCCCC