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3-(p-Bromophenyl)-7-(p-methoxyphenyl)-2-phenyl-1,2,4-triazino[5,6-e]-1,3,4-oxadiazinium chloride hydrchloride salt
SpectraBase Compound ID DYeYFdbusIE
InChI InChI=1S/C23H17BrN5O2.2ClH/c1-30-19-13-9-15(10-14-19)20-25-21-22(27-26-20)31-23(16-7-11-17(24)12-8-16)29(28-21)18-5-3-2-4-6-18;;/h2-14H,1H3,(H,25,26,28);2*1H/q+1;;/p-1
InChIKey CQXZYZZBJMIYJC-UHFFFAOYSA-M
Mol Weight 547.24 g/mol
Molecular Formula C23H18BrCl2N5O2
Exact Mass 545.002093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qK09lLQM0p
Name 3-(p-Bromophenyl)-7-(p-methoxyphenyl)-2-phenyl-1,2,4-triazino[5,6-e]-1,3,4-oxadiazinium chloride hydrchloride salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18BrCl2N5O2
InChI InChI=1S/C23H17BrN5O2.2ClH/c1-30-19-13-9-15(10-14-19)20-25-21-22(27-26-20)31-23(16-7-11-17(24)12-8-16)29(28-21)18-5-3-2-4-6-18;;/h2-14H,1H3,(H,25,26,28);2*1H/q+1;;/p-1
InChIKey CQXZYZZBJMIYJC-UHFFFAOYSA-M
Molecular Weight 547.240 g/mol
SMILES Cl.N1c2c([O+]=C(N1c1ccccc1)c1ccc(Br)cc1)nnc(n2)-c1ccc(OC)cc1.[Cl-]
SPLASH splash10-0040-0900000000-cb4f8db6893a20e7e435
Source of Spectrum SO-0-133-7
Wiley ID 1539233