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4-METHYL-4'-[2-(1H-PYRROL-1-YL)-ETHYL]-N,N'-(TRIMETHYLENE)-2,2'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID 7KX6l3LbC9t
InChI InChI=1S/C20H23N3.2F6P/c1-17-5-13-22-10-4-11-23-14-7-18(16-20(23)19(22)15-17)6-12-21-8-2-3-9-21;2*1-7(2,3,4,5)6/h2-3,5,7-9,13-16H,4,6,10-12H2,1H3;;/q+2;2*-1
InChIKey FSOKTKQOQZZZKQ-UHFFFAOYSA-N
Mol Weight 595.35336196 g/mol
Molecular Formula C20H23F12N3P2
Exact Mass 595.11756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1a8drHsuaJN
Name 4-METHYL-4'-[2-(1H-PYRROL-1-YL)-ETHYL]-N,N'-(TRIMETHYLENE)-2,2'-BIPYRIDINIUM-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23F12N3P2
InChI InChI=1S/C20H23N3.2F6P/c1-17-5-13-22-10-4-11-23-14-7-18(16-20(23)19(22)15-17)6-12-21-8-2-3-9-21;2*1-7(2,3,4,5)6/h2-3,5,7-9,13-16H,4,6,10-12H2,1H3;;/q+2;2*-1
InChIKey FSOKTKQOQZZZKQ-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 595.351 g/mol
Solvent DMSO-D6
Source File Reference UWVP4296