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(5Z)-7-CHLORO-5-(4-METHYLBENZYLIDENE)-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID 6n5IiyEC4vE
InChI InChI=1S/C16H13ClN5.BF4/c1-11-2-4-12(5-3-11)9-22-15-8-13(17)6-7-14(15)21-10-18-19-16(21)20-22;2-1(3,4)5/h2-10H,1H3,(H,19,20);/q+1;-1/b22-9-;
InChIKey DLOSNXVTUGIGLF-SQJQCTNLSA-N
Mol Weight 397.57 g/mol
Molecular Formula C16H13BClF4N5
Exact Mass 397.088866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8F7gmgaNXUR
Name (5Z)-7-CHLORO-5-(4-METHYLBENZYLIDENE)-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13BClF4N5
InChI InChI=1S/C16H13ClN5.BF4/c1-11-2-4-12(5-3-11)9-22-15-8-13(17)6-7-14(15)21-10-18-19-16(21)20-22;2-1(3,4)5/h2-10H,1H3,(H,19,20);/q+1;-1/b22-9-;
InChIKey DLOSNXVTUGIGLF-SQJQCTNLSA-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 397.569 g/mol
Sample ID 30333
Solvent DMSO-D6