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2,4-Bis(4-chlorophenyl)-8-oxo-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
SpectraBase Compound ID 8phOPZ6SeL
InChI InChI=1S/C20H15Cl2N5O.ClH/c21-14-5-1-12(2-6-14)16-11-17(13-3-7-15(22)8-4-13)27-20(23-16)26-10-9-18(28)24-19(26)25-27;/h1-8,11,17H,9-10H2,(H,24,25,28);1H
InChIKey FPMAXKAMFQUZDB-UHFFFAOYSA-N
Mol Weight 448.74 g/mol
Molecular Formula C20H16Cl3N5O
Exact Mass 447.042043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP7cqZLRBU0
Name 2,4-Bis(4-chlorophenyl)-8-oxo-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
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Formula C20H16Cl3N5O
InChI InChI=1S/C20H15Cl2N5O.ClH/c21-14-5-1-12(2-6-14)16-11-17(13-3-7-15(22)8-4-13)27-20(23-16)26-10-9-18(28)24-19(26)25-27;/h1-8,11,17H,9-10H2,(H,24,25,28);1H
InChIKey FPMAXKAMFQUZDB-UHFFFAOYSA-N
Molecular Weight 448.741 g/mol
SMILES [Cl-].N1C(CC[n]2c1n[n+]1c2NC(=CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1)=O
SPLASH splash10-0a4r-9005000000-39fb64f39938be82973a
Source of Spectrum J-70-696-8f
Synonyms 2,4-Bis(4-chlorophenyl)-8-oxo-1,4,7,8,9,10-hexahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Wiley ID 1742569