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1-(3-Chloro-4-fluoro-phenyl)-2,4,6-trimethyl-pyridinium cation
SpectraBase Compound ID EBiuDF3dI0C
InChI InChI=1S/C14H14ClFN/c1-9-6-10(2)17(11(3)7-9)12-4-5-14(16)13(15)8-12/h4-8H,1-3H3/q+1
InChIKey LCZMFILQOLLOTG-UHFFFAOYSA-N
Mol Weight 250.72 g/mol
Molecular Formula C14H14ClFN
Exact Mass 250.07988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUeMBNwh3KG
Name 1-(3-Chloro-4-fluoro-phenyl)-2,4,6-trimethyl-pyridinium cation
CAS Registry Number 79783-51-0
Comments PERCHLORATE, J(C10,F15)=15 HZ MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H14ClFN
InChI InChI=1S/C14H14ClFN/c1-9-6-10(2)17(11(3)7-9)12-4-5-14(16)13(15)8-12/h4-8H,1-3H3/q+1
InChIKey LCZMFILQOLLOTG-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference A.T. Balaban, A. Dinculescu, J. Elguero, Magn. Res. Chem. 23, 553 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6