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Isonipecotic acid, N-(2,5-difluorobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2,5-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID EgPMz1xqICK
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-16-29-23(28)18-12-14-26(15-13-18)22(27)20-17-19(24)10-11-21(20)25/h10-11,17-18H,2-9,12-16H2,1H3
InChIKey ASGDUZFUJKRAMC-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C23H33F2NO3
Exact Mass 409.24285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAnwSApBxx1
Name Isonipecotic acid, N-(2,5-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.242850250 u
Formula C23H33F2NO3
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-16-29-23(28)18-12-14-26(15-13-18)22(27)20-17-19(24)10-11-21(20)25/h10-11,17-18H,2-9,12-16H2,1H3
InChIKey ASGDUZFUJKRAMC-UHFFFAOYSA-N
Molecular Weight 409.518 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(C2=C(C=CC(=C2)F)F)=O)CC1)=O