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1-(1-PYRROLIDINYL-1H-BENZOTRIAZOL-1-YLMETHYLENE)-PYRROLIDINIUM-HEXAFLUOROPHOSPHATE;PBPH
SpectraBase Compound ID CemDLuqZkmT
InChI InChI=1S/C15H21N5.F6P/c1-2-8-14-13(7-1)16-17-20(14)15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8,15H,3-6,9-12H2;/q;-1
InChIKey CLMZYNCJTGUXKQ-UHFFFAOYSA-N
Mol Weight 416.33 g/mol
Molecular Formula C15H21F6N5P
Exact Mass 416.143877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SE2BKFEiAy
Name 1-(1-PYRROLIDINYL-1H-BENZOTRIAZOL-1-YLMETHYLENE)-PYRROLIDINIUM-HEXAFLUOROPHOSPHATE;PBPH
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21F6N5P
InChI InChI=1S/C15H21N5.F6P/c1-2-8-14-13(7-1)16-17-20(14)15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8,15H,3-6,9-12H2;/q;-1
InChIKey CLMZYNCJTGUXKQ-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 416.329 g/mol
Solvent DMSO-D6
Source File Reference UWLU27214