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3-(p-Methylphenyl)-2,7-diphenyl-1,2,4-triazino[5,6-e]-1,3,4-oxadiazinium chloride hydrchloride salt
SpectraBase Compound ID 7wNOL23bgm6
InChI InChI=1S/C23H18N5O.2ClH/c1-16-12-14-18(15-13-16)23-28(19-10-6-3-7-11-19)27-21-22(29-23)26-25-20(24-21)17-8-4-2-5-9-17;;/h2-15H,1H3,(H,24,25,27);2*1H/q+1;;/p-1
InChIKey METGJZFKSCQXLJ-UHFFFAOYSA-M
Mol Weight 452.35 g/mol
Molecular Formula C23H19Cl2N5O
Exact Mass 451.096666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wM79XCow9R
Name 3-(p-Methylphenyl)-2,7-diphenyl-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 C23H19Cl2N5O
InChI InChI=1S/C23H18N5O.2ClH/c1-16-12-14-18(15-13-16)23-28(19-10-6-3-7-11-19)27-21-22(29-23)26-25-20(24-21)17-8-4-2-5-9-17;;/h2-15H,1H3,(H,24,25,27);2*1H/q+1;;/p-1
InChIKey METGJZFKSCQXLJ-UHFFFAOYSA-M
Molecular Weight 452.345 g/mol
SMILES Cl.N1c2c([O+]=C(N1c1ccccc1)c1ccc(C)cc1)nnc(n2)-c1ccccc1.[Cl-]
SPLASH splash10-014i-2900000000-af44274d84559fef0b84
Source of Spectrum SO-0-132-7
Wiley ID 1539238