For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester
SpectraBase Compound ID 6hkFsMYUoeS
InChI InChI=1S/C16H17F4NO3/c1-2-24-15(23)10-5-7-21(8-6-10)14(22)12-9-11(16(18,19)20)3-4-13(12)17/h3-4,9-10H,2,5-8H2,1H3
InChIKey WSAMUGCGGBHODW-UHFFFAOYSA-N
Mol Weight 347.31 g/mol
Molecular Formula C16H17F4NO3
Exact Mass 347.114456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I2dabpV4RxR
Name Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.114456060 u
Formula C16H17F4NO3
InChI InChI=1S/C16H17F4NO3/c1-2-24-15(23)10-5-7-21(8-6-10)14(22)12-9-11(16(18,19)20)3-4-13(12)17/h3-4,9-10H,2,5-8H2,1H3
InChIKey WSAMUGCGGBHODW-UHFFFAOYSA-N
Molecular Weight 347.310 g/mol
SMILES C(C1=CC=C(C(C(N2CCC(C(OCC)=O)CC2)=O)=C1)F)(F)(F)F