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

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID jHa7v7ajys
InChI InChI=1S/C25H36F3NO3/c1-2-3-4-5-6-7-8-9-12-19-32-24(31)20-15-17-29(18-16-20)23(30)21-13-10-11-14-22(21)25(26,27)28/h10-11,13-14,20H,2-9,12,15-19H2,1H3
InChIKey FOVRIZNXVOGBKG-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C25H36F3NO3
Exact Mass 455.264729 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 1QqHlJB7Q4f
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.264728509 u
Formula C25H36F3NO3
InChI InChI=1S/C25H36F3NO3/c1-2-3-4-5-6-7-8-9-12-19-32-24(31)20-15-17-29(18-16-20)23(30)21-13-10-11-14-22(21)25(26,27)28/h10-11,13-14,20H,2-9,12,15-19H2,1H3
InChIKey FOVRIZNXVOGBKG-UHFFFAOYSA-N
Molecular Weight 455.562 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O