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Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID B3Wrli4B1Gu
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-17-32-23(31)18-13-15-29(16-14-18)22(30)19-11-10-12-20(21(19)25)24(26,27)28/h10-12,18H,2-9,13-17H2,1H3
InChIKey BYBHVZXKRAIUGU-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H33F4NO3
Exact Mass 459.239657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6ogY7eXPXw
Name Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.239656576 u
Formula C24H33F4NO3
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-17-32-23(31)18-13-15-29(16-14-18)22(30)19-11-10-12-20(21(19)25)24(26,27)28/h10-12,18H,2-9,13-17H2,1H3
InChIKey BYBHVZXKRAIUGU-UHFFFAOYSA-N
Molecular Weight 459.526 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O