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1-[5-methyl-2-(4-methylphenyl)-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]ethanone
SpectraBase Compound ID BXLmkbATnpm
InChI InChI=1S/C12H13N3O2/c1-8-4-6-11(7-5-8)14-13-9(2)12(10(3)16)15(14)17/h4-7H,1-3H3
InChIKey DOFUAOKAODYFNR-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWbEBjgiPyU
Name 1-[5-methyl-2-(4-methylphenyl)-3-oxidanidyl-1,2,3-triazol-3-ium-4-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-8-4-6-11(7-5-8)14-13-9(2)12(10(3)16)15(14)17/h4-7H,1-3H3
InChIKey DOFUAOKAODYFNR-UHFFFAOYSA-N
Molecular Weight 231.255 g/mol
SMILES c1(n[n]([n+](c1C(=O)C)[O-])-c1ccc(cc1)C)C
SPLASH splash10-052f-9720000000-386180769f19a2dd647d
Source of Spectrum Y-33-657-5
Synonyms 1-[5-methyl-2-(4-methylphenyl)-3-oxido-4-triazol-3-iumyl]ethanone 1-[5-methyl-2-(4-methylphenyl)-3-oxidotriazol-3-ium-4-yl]ethanone 1-[5-methyl-3-oxido-2-(p-tolyl)triazol-3-ium-4-yl]ethanone
Wiley ID 1232686