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

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-(4-fluorobenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-fluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID 5SFUvirVUzA
InChI InChI=1S/C25H38FNO3/c1-2-3-4-5-6-7-8-9-10-11-20-30-25(29)22-16-18-27(19-17-22)24(28)21-12-14-23(26)15-13-21/h12-15,22H,2-11,16-20H2,1H3
InChIKey ABVHZDAZKUJIAZ-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H38FNO3
Exact Mass 419.283572 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 I1xHyhd4B6N
Name Isonipecotic acid, N-(4-fluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.283572248 u
Formula C25H38FNO3
InChI InChI=1S/C25H38FNO3/c1-2-3-4-5-6-7-8-9-10-11-20-30-25(29)22-16-18-27(19-17-22)24(28)21-12-14-23(26)15-13-21/h12-15,22H,2-11,16-20H2,1H3
InChIKey ABVHZDAZKUJIAZ-UHFFFAOYSA-N
Molecular Weight 419.581 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O