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1-(1-PYRROLIDINYL-1H-1,2,3-TRIAZOLO-[4,5-B]-PYRIDIN-1-YLMETHYLENE)-PYRROLIDINIUM-HEXAFLUOROPHOSPHATE-N-OXIDE;HAPYU
SpectraBase Compound ID KGGb05vICTJ
InChI InChI=1S/C14H20N6O.F6P/c21-20-13-12(6-5-7-15-13)19(16-20)14(17-8-1-2-9-17)18-10-3-4-11-18;1-7(2,3,4,5)6/h5-7,14H,1-4,8-11H2;/q;-1
InChIKey NMHQHNQDANOSKG-UHFFFAOYSA-N
Mol Weight 433.32 g/mol
Molecular Formula C14H20F6N6OP
Exact Mass 433.13404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DX4WP7wSEdc
Name 1-(1-PYRROLIDINYL-1H-1,2,3-TRIAZOLO-[4,5-B]-PYRIDIN-1-YLMETHYLENE)-PYRROLIDINIUM-HEXAFLUOROPHOSPHATE-N-OXIDE;HAPYU;SOLID-STATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20F6N6OP
InChI InChI=1S/C14H20N6O.F6P/c21-20-13-12(6-5-7-15-13)19(16-20)14(17-8-1-2-9-17)18-10-3-4-11-18;1-7(2,3,4,5)6/h5-7,14H,1-4,8-11H2;/q;-1
InChIKey NMHQHNQDANOSKG-UHFFFAOYSA-N
Literature Reference Author L.A.CARPINO,P.HENKLEIN,B.M.FOXMAN,I.ABDELMOTY,B.COSTISELLA,V .WRAY,T.DOMKE,A.EL-
Literature Reference Citation J.ORG.CHEM.,66,5245(2001)
Literature Reference DOI 10.1021/jo001616+
Molecular Weight 433.317 g/mol
Solvent Unknown
Source File Reference UWLU27216