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2,4-Bis(4-chlorophenyl)-8-oxo-7,8,9,10-tetrahydro[1,2,4]triazolo[1,5-a:4,3-a0]dipyrimidin-5-ium chloride
SpectraBase Compound ID 8k3c7McV5in
InChI InChI=1S/C20H13Cl2N5O.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;/h1-8,11H,9-10H2;1H
InChIKey RYWOKYKUHNORCS-UHFFFAOYSA-N
Mol Weight 446.73 g/mol
Molecular Formula C20H14Cl3N5O
Exact Mass 445.026393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DitBnRc67os
Name 2,4-Bis(4-chlorophenyl)-8-oxo-7,8,9,10-tetrahydro[1,2,4]triazolo[1,5-a:4,3-a0]dipyrimidin-5-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Cl3N5O
InChI InChI=1S/C20H13Cl2N5O.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;/h1-8,11H,9-10H2;1H
InChIKey RYWOKYKUHNORCS-UHFFFAOYSA-N
Molecular Weight 446.725 g/mol
SMILES [Cl-].N1C(CC[n]2c3[n+](nc12)c(cc(n3)-c1ccc(Cl)cc1)-c1ccc(cc1)Cl)=O
SPLASH splash10-0fb9-9000000000-113febc779249764442c
Source of Spectrum F-70-697-9f
Synonyms 2,4-Bis(4-chlorophenyl)-8-oxo-7,8,9,10-tetrahydro[1,2,4]triazolo[1,5-a:4,3-a]dipyrimidin-5-ium chloride 2,4-Bis(4-chlorophenyl)-8-oxo-7,8,9,10-tetrahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Wiley ID 1742565