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N-(CYANOMETHYL)-N'-METHYL-4,4'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)

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N-(CYANOMETHYL)-N'-METHYL-4,4'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID 27o1imFDSWq
InChI InChI=1S/C13H13N3.2F6P/c1-15-7-2-12(3-8-15)13-4-9-16(10-5-13)11-6-14;2*1-7(2,3,4,5)6/h2-5,7-10H,11H2,1H3;;/q+2;2*-1
InChIKey MRTYQTWNWLTWKC-UHFFFAOYSA-N
Mol Weight 501.19636196 g/mol
Molecular Formula C13H13F12N3P2
Exact Mass 501.039309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUrwHpsSCKM
Name N-(CYANOMETHYL)-N'-METHYL-4,4'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F12N3P2
InChI InChI=1S/C13H13N3.2F6P/c1-15-7-2-12(3-8-15)13-4-9-16(10-5-13)11-6-14;2*1-7(2,3,4,5)6/h2-5,7-10H,11H2,1H3;;/q+2;2*-1
InChIKey MRTYQTWNWLTWKC-UHFFFAOYSA-N
Literature Reference Author W.ZHAO,J.MARFURT,L.WALDER
Literature Reference Citation HELV.CHIM.ACTA,77,351(1994)
Literature Reference DOI 10.1002/hlca.19940770134
Molecular Weight 501.195 g/mol
Solvent DMSO-D6
Source File Reference UWVP4297