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

*Links on SpectraBase are not permalinks.

2-Fluoro-5-trifluoromethylbenzoic acid, 6-dodecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-5-trifluoromethylbenzoic acid, 6-dodecyl ester
SpectraBase Compound ID GSAQbZ24XKa
InChI InChI=1S/C20H28F4O2/c1-3-5-7-9-11-16(10-8-6-4-2)26-19(25)17-14-15(20(22,23)24)12-13-18(17)21/h12-14,16H,3-11H2,1-2H3
InChIKey CNOLGWKTLBJZDE-UHFFFAOYSA-N
Mol Weight 376.44 g/mol
Molecular Formula C20H28F4O2
Exact Mass 376.202543 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 4gLf0J5IlMe
Name 2-Fluoro-5-trifluoromethylbenzoic acid, 6-dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.202542792 u
Formula C20H28F4O2
InChI InChI=1S/C20H28F4O2/c1-3-5-7-9-11-16(10-8-6-4-2)26-19(25)17-14-15(20(22,23)24)12-13-18(17)21/h12-14,16H,3-11H2,1-2H3
InChIKey CNOLGWKTLBJZDE-UHFFFAOYSA-N
Molecular Weight 376.436 g/mol
SMILES C1(=CC(=CC=C1F)C(F)(F)F)C(OC(CCCCC)CCCCCC)=O