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3,5-Bis(methylaminocarbonyl)-1-phenyl-pyridinium cation

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3,5-Bis(methylaminocarbonyl)-1-phenyl-pyridinium cation
SpectraBase Compound ID BYrfJKZeYV5
InChI InChI=1S/C16H17N3O2/c1-17-15(20)13-8-14(16(21)18-2)11-19(10-13)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H-,17,18,20,21)/p+1
InChIKey XOENPDWYEGHYAQ-UHFFFAOYSA-O
Mol Weight 284.34 g/mol
Molecular Formula C16H18N3O2
Exact Mass 284.139902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jb39v5qfybj
Name 3,5-Bis(methylaminocarbonyl)-1-phenyl-pyridinium cation
CAS Registry Number 129475-90-7
Comments bromide
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Formula C16H18N3O2
InChI InChI=1S/C16H17N3O2/c1-17-15(20)13-8-14(16(21)18-2)11-19(10-13)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H-,17,18,20,21)/p+1
InChIKey XOENPDWYEGHYAQ-UHFFFAOYSA-O
Instrument Name Bruker WM-250
Literature Reference G.R. Hays, R. Huis, B. Coleman, J. Am. Chem. Soc. 103, 5140 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O