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3-Amino-2-benzyl-7-methyl-5-oxo-5H-[1,2,4]triazolo[4,3-a]-pyrimidin-2-ium-8-ide
SpectraBase Compound ID BwrBkqnmQfa
InChI InChI=1S/C13H13N5O/c1-9-7-11(19)18-12(14)17(16-13(18)15-9)8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3,(H,15,16,19)
InChIKey BJCIJDKSDFCVFF-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C13H13N5O
Exact Mass 255.11201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69GuuAn8lHh
Name 3-Amino-2-benzyl-7-methyl-5-oxo-5H-[1,2,4]triazolo[4,3-a]-pyrimidin-2-ium-8-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O
InChI InChI=1S/C13H13N5O/c1-9-7-11(19)18-12(14)17(16-13(18)15-9)8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3,(H,15,16,19)
InChIKey BJCIJDKSDFCVFF-UHFFFAOYSA-N
Molecular Weight 255.281 g/mol
SMILES Nc1[n+](Cc2ccccc2)nc2[n]1C(C=C(C)[N-]2)=O
SPLASH splash10-00ko-9000000000-fb7e8a3c25a799326add
Source of Spectrum F-66-3309-10h
Wiley ID 1683784