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

*Links on SpectraBase are not permalinks.

2-Fluoro-3-trifluoromethylbenzoic acid, eicosyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, eicosyl ester
SpectraBase Compound ID GYH8NTsZHu4
InChI InChI=1S/C28H44F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(33)24-21-20-22-25(26(24)29)28(30,31)32/h20-22H,2-19,23H2,1H3
InChIKey XUEAFLOQFPVLSA-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 FsyDod7pK8V
Name 2-Fluoro-3-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(33)24-21-20-22-25(26(24)29)28(30,31)32/h20-22H,2-19,23H2,1H3
InChIKey XUEAFLOQFPVLSA-UHFFFAOYSA-N
Molecular Weight 488.652 g/mol
SMILES C(CCCCCCCCCOC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)CCCCCCCCCC