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

*Links on SpectraBase are not permalinks.

4-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester
SpectraBase Compound ID KRJ5i30Okkn
InChI InChI=1S/C26H40F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25(31)22-18-19-24(27)23(21-22)26(28,29)30/h18-19,21H,2-17,20H2,1H3
InChIKey ZPIDVMSDCQGACP-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H40F4O2
Exact Mass 460.296443 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 1KI2ouMzyGe
Name 4-Fluoro-3-trifluoromethylbenzoic acid, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.296443178 u
Formula C26H40F4O2
InChI InChI=1S/C26H40F4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25(31)22-18-19-24(27)23(21-22)26(28,29)30/h18-19,21H,2-17,20H2,1H3
InChIKey ZPIDVMSDCQGACP-UHFFFAOYSA-N
Molecular Weight 460.598 g/mol
SMILES C(CCCCCCCCCOC(C1=CC(=C(C=C1)F)C(F)(F)F)=O)CCCCCCCC