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1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 6-(2,4-dimethylphenyl)-2-methyl-3-(methylthio)-, hydroxide, inner salt
SpectraBase Compound ID 6fyxrpOcmfo
InChI InChI=1S/C13H15N5S/c1-8-5-6-10(9(2)7-8)11-14-12-16-17(3)13(19-4)18(12)15-11/h5-7H,1-4H3
InChIKey WOWQPQNMPIPTJZ-UHFFFAOYSA-N
Mol Weight 273.36 g/mol
Molecular Formula C13H15N5S
Exact Mass 273.104817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EU5lfkJS0os
Name 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 6-(2,4-dimethylphenyl)-2-methyl-3-(methylthio)-, hydroxide, inner salt
CAS Registry Number 96906-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5S
InChI InChI=1S/C13H15N5S/c1-8-5-6-10(9(2)7-8)11-14-12-16-17(3)13(19-4)18(12)15-11/h5-7H,1-4H3
InChIKey WOWQPQNMPIPTJZ-UHFFFAOYSA-N
Molecular Weight 273.358 g/mol
SMILES c12[n+]([n-]c(n2)-c2c(cc(cc2)C)C)c([n](n1)C)SC
SPLASH splash10-06di-6490000000-77f8b725c82bee4f5e32
Source of Spectrum AJ-58-741-8
Synonyms 2-Methyl-6-(2,4-dimethylphenyl)-3-methylthio-7H-1,2,4-triazolo[4,3-b][1,2,4]triazolium hydroxide 6-(2,4-dimethylphenyl)-2-methyl-3-(methylsulfanyl)-2H,5H-1,2,5,7,4000000-[1,2,4]triazolo[4,3-a][1,2,4]triazol-4-ylium-5-ide
Wiley ID 1277091