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

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-pentafluorobenzoyl-, heptyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, heptyl ester
SpectraBase Compound ID 2oeAJf4viPn
InChI InChI=1S/C20H24F5NO3/c1-2-3-4-5-6-11-29-20(28)12-7-9-26(10-8-12)19(27)13-14(21)16(23)18(25)17(24)15(13)22/h12H,2-11H2,1H3
InChIKey MIVKPNGPUKLFKW-UHFFFAOYSA-N
Mol Weight 421.41 g/mol
Molecular Formula C20H24F5NO3
Exact Mass 421.167634 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 9wYfu9Xi3I3
Name Isonipecotic acid, N-pentafluorobenzoyl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.167634449 u
Formula C20H24F5NO3
InChI InChI=1S/C20H24F5NO3/c1-2-3-4-5-6-11-29-20(28)12-7-9-26(10-8-12)19(27)13-14(21)16(23)18(25)17(24)15(13)22/h12H,2-11H2,1H3
InChIKey MIVKPNGPUKLFKW-UHFFFAOYSA-N
Molecular Weight 421.408 g/mol
SMILES CCCCCCCOC(=O)C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1