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Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 58gGEf0hlB6
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-10-17-30-22(29)18-13-15-27(16-14-18)21(28)19-11-8-9-12-20(19)23(24,25)26/h8-9,11-12,18H,2-7,10,13-17H2,1H3
InChIKey SNEFKJRDGMGQBX-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C23H32F3NO3
Exact Mass 427.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSnfhB2gtcX
Name Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.233428380 u
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-10-17-30-22(29)18-13-15-27(16-14-18)21(28)19-11-8-9-12-20(19)23(24,25)26/h8-9,11-12,18H,2-7,10,13-17H2,1H3
InChIKey SNEFKJRDGMGQBX-UHFFFAOYSA-N
Molecular Weight 427.508 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O