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8-Oxo-2,4-diphenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
SpectraBase Compound ID Ls5V7xmgwDk
InChI InChI=1S/C20H17N5O.ClH/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14;/h1-10,13,17H,11-12H2,(H,22,23,26);1H
InChIKey BHXZBRQTEOIHSD-UHFFFAOYSA-N
Mol Weight 379.85 g/mol
Molecular Formula C20H18ClN5O
Exact Mass 379.119988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P0n3ZluqAF
Name 8-Oxo-2,4-diphenyl-1,4,7,8,9,10-hexahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN5O
InChI InChI=1S/C20H17N5O.ClH/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14;/h1-10,13,17H,11-12H2,(H,22,23,26);1H
InChIKey BHXZBRQTEOIHSD-UHFFFAOYSA-N
Molecular Weight 379.851 g/mol
SMILES [Cl-].N1C(CC[n]2c1n[n+]1c2NC(=CC1c1ccccc1)c1ccccc1)=O
SPLASH splash10-0kw3-9120000000-f2a98f8f135a51572603
Source of Spectrum F-70-696-8c
Synonyms 8-Oxo-2,4-diphenyl-1,4,7,8,9,10-hexahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Wiley ID 1742572