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Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 9NlHXpjRZhu
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-14-32-23(31)18-10-12-29(13-11-18)22(30)19-15-20(24(26,27)28)17-21(25)16-19/h15-18H,2-14H2,1H3
InChIKey FZDMIECWVOZHMT-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 KgoK4xCL3OG
Name Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.239656576 u
Formula C24H33F4NO3
InChI InChI=1S/C24H33F4NO3/c1-2-3-4-5-6-7-8-9-14-32-23(31)18-10-12-29(13-11-18)22(30)19-15-20(24(26,27)28)17-21(25)16-19/h15-18H,2-14H2,1H3
InChIKey FZDMIECWVOZHMT-UHFFFAOYSA-N
Molecular Weight 459.526 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC(=C2)F)=O)CC1)=O