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

*Links on SpectraBase are not permalinks.

3-Trifluoromethylbenzoic acid, 4-hexadecyl ester

View entire compound with spectra: 1 NMR

3-Trifluoromethylbenzoic acid, 4-hexadecyl ester
SpectraBase Compound ID FKT8iGtBgr2
InChI InChI=1S/C24H37F3O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(15-4-2)29-23(28)20-16-14-17-21(19-20)24(25,26)27/h14,16-17,19,22H,3-13,15,18H2,1-2H3
InChIKey YBLXYZPJXYRAES-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C24H37F3O2
Exact Mass 414.274565 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 9QHw7AiG5mh
Name 3-Trifluoromethylbenzoic acid, 4-hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.274564918 u
Formula C24H37F3O2
InChI InChI=1S/C24H37F3O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(15-4-2)29-23(28)20-16-14-17-21(19-20)24(25,26)27/h14,16-17,19,22H,3-13,15,18H2,1-2H3
InChIKey YBLXYZPJXYRAES-UHFFFAOYSA-N
Molecular Weight 414.553 g/mol
SMILES C(CCCCCCCC)CCCC(CCC)OC(=O)C1=CC(C(F)(F)F)=CC=C1