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7-METHYL-(5Z)-5-(4-METHYLBENZYLIDENE)-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID 2iKo2pvIRRY
InChI InChI=1S/C17H16N5.BF4/c1-12-3-6-14(7-4-12)10-22-16-9-13(2)5-8-15(16)21-11-18-19-17(21)20-22;2-1(3,4)5/h3-11H,1-2H3,(H,19,20);/q+1;-1/b22-10-;
InChIKey PNXRCBLDHXQCGS-OJKSBZLNSA-N
Mol Weight 377.15 g/mol
Molecular Formula C17H16BF4N5
Exact Mass 377.143488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zUVbybMLSl
Name 7-METHYL-(5Z)-5-(4-METHYLBENZYLIDENE)-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16BF4N5
InChI InChI=1S/C17H16N5.BF4/c1-12-3-6-14(7-4-12)10-22-16-9-13(2)5-8-15(16)21-11-18-19-17(21)20-22;2-1(3,4)5/h3-11H,1-2H3,(H,19,20);/q+1;-1/b22-10-;
InChIKey PNXRCBLDHXQCGS-OJKSBZLNSA-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 377.151 g/mol
Sample ID 30336
Solvent DMSO-D6