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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, tridecyl ester
SpectraBase Compound ID CnTYISVMDjf
InChI InChI=1S/C27H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-34-26(33)22-17-19-31(20-18-22)25(32)23-15-12-13-16-24(23)27(28,29)30/h12-13,15-16,22H,2-11,14,17-21H2,1H3
InChIKey YHXNLGLSIGYQBK-UHFFFAOYSA-N
Mol Weight 483.6 g/mol
Molecular Formula C27H40F3NO3
Exact Mass 483.296029 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 KupEMkzL6Gb
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.296028638 u
Formula C27H40F3NO3
InChI InChI=1S/C27H40F3NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-34-26(33)22-17-19-31(20-18-22)25(32)23-15-12-13-16-24(23)27(28,29)30/h12-13,15-16,22H,2-11,14,17-21H2,1H3
InChIKey YHXNLGLSIGYQBK-UHFFFAOYSA-N
Molecular Weight 483.616 g/mol
SMILES CCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O