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

*Links on SpectraBase are not permalinks.

2-Fluoro-6-trifluoromethylbenzoic acid, 4-tetradecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-6-trifluoromethylbenzoic acid, 4-tetradecyl ester
SpectraBase Compound ID 35SC7QKEy1u
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-14-17(13-4-2)28-21(27)20-18(22(24,25)26)15-12-16-19(20)23/h12,15-17H,3-11,13-14H2,1-2H3
InChIKey DYXNHMPEVGXQOW-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32F4O2
Exact Mass 404.233843 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 JvXbunPT14X
Name 2-Fluoro-6-trifluoromethylbenzoic acid, 4-tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-3-5-6-7-8-9-10-11-14-17(13-4-2)28-21(27)20-18(22(24,25)26)15-12-16-19(20)23/h12,15-17H,3-11,13-14H2,1-2H3
InChIKey DYXNHMPEVGXQOW-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1(=C(C=CC=C1C(F)(F)F)F)C(OC(CCC)CCCCCCCCCC)=O