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(5Z)-7-CHLORO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE

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(5Z)-7-CHLORO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID BdnXwAywGDQ
InChI InChI=1S/C17H13ClN5.BF4/c18-14-8-9-15-16(11-14)23(21-17-20-19-12-22(15)17)10-4-7-13-5-2-1-3-6-13;2-1(3,4)5/h1-12H,(H,20,21);/q+1;-1/b7-4+,23-10-;
InChIKey PBFCQKVWRAOLBP-PHJOBIMSSA-N
Mol Weight 409.58 g/mol
Molecular Formula C17H13BClF4N5
Exact Mass 409.088866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vIYeiJ0bBg
Name (5Z)-7-CHLORO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-4,5-DIHYDRO-[1,2,4]-TRIAZOLO-[3,4-C]-[1,2,4]-BENZOTRIAZIN-5-IUM-TETRAFLUOROBORATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13BClF4N5
InChI InChI=1S/C17H13ClN5.BF4/c18-14-8-9-15-16(11-14)23(21-17-20-19-12-22(15)17)10-4-7-13-5-2-1-3-6-13;2-1(3,4)5/h1-12H,(H,20,21);/q+1;-1/b7-4+,23-10-;
InChIKey PBFCQKVWRAOLBP-PHJOBIMSSA-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 409.580 g/mol
Sample ID 30334
Solvent DMSO-D6