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3-Amino-6-chloro-7-methyl-5-oxo-2-phenyl-5H-[1,2,4]triazolo[4,3-a]-pyrimidin-2-ium-8-ide
SpectraBase Compound ID mLhqKU2Xyg
InChI InChI=1S/C12H10ClN5O/c1-7-9(13)10(19)17-11(14)18(16-12(17)15-7)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,15,16,19)
InChIKey NUSAUDVDPPESAU-UHFFFAOYSA-N
Mol Weight 275.7 g/mol
Molecular Formula C12H10ClN5O
Exact Mass 275.057388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8V6JunDHS6h
Name 3-Amino-6-chloro-7-methyl-5-oxo-2-phenyl-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 C12H10ClN5O
InChI InChI=1S/C12H10ClN5O/c1-7-9(13)10(19)17-11(14)18(16-12(17)15-7)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,15,16,19)
InChIKey NUSAUDVDPPESAU-UHFFFAOYSA-N
Molecular Weight 275.699 g/mol
SMILES Nc1[n+](-c2ccccc2)nc2[n]1C(C(=C(C)[N-]2)Cl)=O
SPLASH splash10-004i-9270000000-b35926967b6930cd7c42
Source of Spectrum F-66-3309-10e
Wiley ID 1683785