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6-Methyl-1-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SpectraBase Compound ID 5bkRNh7kWvi
InChI InChI=1S/C16H13N3S/c1-10-3-6-12(7-4-10)15-17-18-16-19(15)13-8-5-11(2)9-14(13)20-16/h3-9H,1-2H3
InChIKey RQGADSDOCGVNFB-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3c9TwNNMXQ
Name 6-methyl-1-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Alternate Name(s) 6-methyl-1-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c1-10-3-6-12(7-4-10)15-17-18-16-19(15)13-8-5-11(2)9-14(13)20-16/h3-9H,1-2H3
InChIKey RQGADSDOCGVNFB-UHFFFAOYSA-N
Molecular Weight 279.361 g/mol
SMILES c12[n](c(nn2)-c2ccc(cc2)C)-c2c(S1)cc(cc2)C
SPLASH splash10-03fr-0980000000-38aff06b23b424617005
Source of Spectrum J-62-5770-4
Wiley ID 1283020