John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=E4g9Mt2XVwi SpectraBase Spectrum ID=10DrXJwMZcr

(accessed ).
1-(PYRAZOL-3-YL)-2,6-DIMETHYL-4-PHENYL-PYRIDINIUM-PERCHLORATE
SpectraBase Compound ID E4g9Mt2XVwi
InChI InChI=1S/C16H16N3.ClHO4/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)19(12)16-8-9-17-18-16;2-1(3,4)5/h3-11H,1-2H3,(H,17,18);(H,2,3,4,5)/q+1;/p-1
InChIKey OHBNKDUGQBUGPK-UHFFFAOYSA-M
Mol Weight 349.77 g/mol
Molecular Formula C16H16ClN3O4
Exact Mass 349.082934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10DrXJwMZcr
Name 1-(PYRAZOL-3-YL)-2,6-DIMETHYL-4-PHENYL-PYRIDINIUM-PERCHLORATE
Compound Number 8
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16ClN3O4
InChI InChI=1S/C16H16N3.ClHO4/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)19(12)16-8-9-17-18-16;2-1(3,4)5/h3-11H,1-2H3,(H,17,18);(H,2,3,4,5)/q+1;/p-1
InChIKey OHBNKDUGQBUGPK-UHFFFAOYSA-M
Literature Reference Author M.ILIES,M.D.BANCIU,M.A.ILIES,A.SCOZZAFAWA,M.T.CAPROIU,C.T.SU PURAN
Literature Reference Citation J.MED.CHEM.,45,504(2002)
Literature Reference DOI 10.1021/jm011031n
Molecular Weight 349.774 g/mol
Sample ID 40924
Solvent DMSO-D6
SpectraBase Batch ID 6oE24ZdHmsk