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(5Z)-7-METHYL-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-METHYL-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 4XgnvZAJaXv
InChI InChI=1S/C18H16N5.BF4/c1-14-9-10-16-17(12-14)23(21-18-20-19-13-22(16)18)11-5-8-15-6-3-2-4-7-15;2-1(3,4)5/h2-13H,1H3,(H,20,21);/q+1;-1/b8-5+,23-11-;
InChIKey LLTPKPWWBNJJLO-HLPNUMSUSA-N
Mol Weight 389.16 g/mol
Molecular Formula C18H16BF4N5
Exact Mass 389.143488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DosOQGts9xc
Name (5Z)-7-METHYL-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 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16BF4N5
InChI InChI=1S/C18H16N5.BF4/c1-14-9-10-16-17(12-14)23(21-18-20-19-13-22(16)18)11-5-8-15-6-3-2-4-7-15;2-1(3,4)5/h2-13H,1H3,(H,20,21);/q+1;-1/b8-5+,23-11-;
InChIKey LLTPKPWWBNJJLO-HLPNUMSUSA-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 389.162 g/mol
Sample ID 30338
Solvent DMSO-D6