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N,N'-ETHYLENE-4-METHYL-4'-[2-[1H-PYRROL-1-YL)-ETHYL]-2,2'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID Jlzv7BrUOSh
InChI InChI=1S/C19H21N3.2F6P/c1-16-4-10-21-12-13-22-11-6-17(15-19(22)18(21)14-16)5-9-20-7-2-3-8-20;2*1-7(2,3,4,5)6/h2-4,6-8,10-11,14-15H,5,9,12-13H2,1H3;;/q+2;2*-1
InChIKey IIBWLIAERZWCKY-UHFFFAOYSA-N
Mol Weight 581.32636196 g/mol
Molecular Formula C19H21F12N3P2
Exact Mass 581.10191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Btgx66paLxg
Name N,N'-ETHYLENE-4-METHYL-4'-[2-[1H-PYRROL-1-YL)-ETHYL]-2,2'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21F12N3P2
InChI InChI=1S/C19H21N3.2F6P/c1-16-4-10-21-12-13-22-11-6-17(15-19(22)18(21)14-16)5-9-20-7-2-3-8-20;2*1-7(2,3,4,5)6/h2-4,6-8,10-11,14-15H,5,9,12-13H2,1H3;;/q+2;2*-1
InChIKey IIBWLIAERZWCKY-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 581.324 g/mol
Solvent DMSO-D6
Source File Reference UWVP4295