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

*Links on SpectraBase are not permalinks.

2-Fluoro-5-trifluoromethylbenzoic acid, eicosyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-5-trifluoromethylbenzoic acid, eicosyl ester
SpectraBase Compound ID JRRgD6BMaUE
InChI InChI=1S/C28H44F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(33)25-23-24(28(30,31)32)20-21-26(25)29/h20-21,23H,2-19,22H2,1H3
InChIKey YDDXEPMOLAKKSN-UHFFFAOYSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H44F4O2
Exact Mass 488.327743 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 45a3W0NIluZ
Name 2-Fluoro-5-trifluoromethylbenzoic acid, eicosyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.327743307 u
Formula C28H44F4O2
InChI InChI=1S/C28H44F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(33)25-23-24(28(30,31)32)20-21-26(25)29/h20-21,23H,2-19,22H2,1H3
InChIKey YDDXEPMOLAKKSN-UHFFFAOYSA-N
Molecular Weight 488.652 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=CC=C1F)C(F)(F)F)=O)CCCCCCCCCC