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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID DG93FR6n2xj
InChI InChI=1S/C30H46F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-37-29(36)25-20-22-34(23-21-25)28(35)26-18-15-16-19-27(26)30(31,32)33/h15-16,18-19,25H,2-14,17,20-24H2,1H3
InChIKey VMFBVUKMZDCUIS-UHFFFAOYSA-N
Mol Weight 525.7 g/mol
Molecular Formula C30H46F3NO3
Exact Mass 525.342979 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 3dVvJut7gST
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.342978831 u
Formula C30H46F3NO3
InChI InChI=1S/C30H46F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-37-29(36)25-20-22-34(23-21-25)28(35)26-18-15-16-19-27(26)30(31,32)33/h15-16,18-19,25H,2-14,17,20-24H2,1H3
InChIKey VMFBVUKMZDCUIS-UHFFFAOYSA-N
Molecular Weight 525.697 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O