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Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 57kOeagNaAe
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-8-16-30-22(29)18-12-14-27(15-13-18)21(28)19-10-9-11-20(17-19)23(24,25)26/h9-11,17-18H,2-8,12-16H2,1H3
InChIKey MXJPMAUHCCGIHZ-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 HEuw9TPitL6
Name Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.233428380 u
Formula C23H32F3NO3
InChI InChI=1S/C23H32F3NO3/c1-2-3-4-5-6-7-8-16-30-22(29)18-12-14-27(15-13-18)21(28)19-10-9-11-20(17-19)23(24,25)26/h9-11,17-18H,2-8,12-16H2,1H3
InChIKey MXJPMAUHCCGIHZ-UHFFFAOYSA-N
Molecular Weight 427.508 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O