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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID 8BsS8ZXBGZw
InChI InChI=1S/C19H24F3NO3/c1-2-3-4-12-26-18(25)14-8-10-23(11-9-14)17(24)15-6-5-7-16(13-15)19(20,21)22/h5-7,13-14H,2-4,8-12H2,1H3
InChIKey CGSHSGNHMGKHBW-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C19H24F3NO3
Exact Mass 371.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIYou1oVh3j
Name Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.170828123 u
Formula C19H24F3NO3
InChI InChI=1S/C19H24F3NO3/c1-2-3-4-12-26-18(25)14-8-10-23(11-9-14)17(24)15-6-5-7-16(13-15)19(20,21)22/h5-7,13-14H,2-4,8-12H2,1H3
InChIKey CGSHSGNHMGKHBW-UHFFFAOYSA-N
Molecular Weight 371.400 g/mol
SMILES CCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)C(F)(F)F)CC1)=O