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

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-(2,4-difluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2,4-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID 1S396XUTCLk
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-34-28(33)23-17-19-31(20-18-23)27(32)25-16-15-24(29)22-26(25)30/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey OQFAGEHKJRFLRU-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C28H43F2NO3
Exact Mass 479.321101 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 6kOv6IGOPCl
Name Isonipecotic acid, N-(2,4-difluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.321100572 u
Formula C28H43F2NO3
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-34-28(33)23-17-19-31(20-18-23)27(32)25-16-15-24(29)22-26(25)30/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey OQFAGEHKJRFLRU-UHFFFAOYSA-N
Molecular Weight 479.653 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C=C(F)C=C2)F)=O)CC1)=O