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(5Z)-5-(BIPHENYL-4-YLMETHYLENE)-7-METHYL-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE

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(5Z)-5-(BIPHENYL-4-YLMETHYLENE)-7-METHYL-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID CPRLFjnqSh3
InChI InChI=1S/C22H18N5.BF4/c1-16-7-12-20-21(13-16)27(25-22-24-23-15-26(20)22)14-17-8-10-19(11-9-17)18-5-3-2-4-6-18;2-1(3,4)5/h2-15H,1H3,(H,24,25);/q+1;-1/b27-14-;
InChIKey XQIXMBZZXWBVIG-JXTIHSCLSA-N
Mol Weight 439.22 g/mol
Molecular Formula C22H18BF4N5
Exact Mass 439.159138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qtlAOkopck
Name (5Z)-5-(BIPHENYL-4-YLMETHYLENE)-7-METHYL-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18BF4N5
InChI InChI=1S/C22H18N5.BF4/c1-16-7-12-20-21(13-16)27(25-22-24-23-15-26(20)22)14-17-8-10-19(11-9-17)18-5-3-2-4-6-18;2-1(3,4)5/h2-15H,1H3,(H,24,25);/q+1;-1/b27-14-;
InChIKey XQIXMBZZXWBVIG-JXTIHSCLSA-N
Literature Reference Author C.GROF,G.HEGEDUES,Z.RIEDL,G.HAJOS,O.EGYED,A.CSAMPAI,V.KUDAR, B.STANOVNIK
Literature Reference Citation EUR.J.ORG.CHEM.,3553(2005)
Molecular Weight 439.222 g/mol
Sample ID 30337
Solvent DMSO-D6