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1-(2-Benzothiazolyl)-3-phenyl-5-methyl-1,2,4-triazole
SpectraBase Compound ID 49oXZPwrH4d
InChI InChI=1S/C16H12N4S/c1-11-17-15(12-7-3-2-4-8-12)19-20(11)16-18-13-9-5-6-10-14(13)21-16/h2-10H,1H3
InChIKey LOAMLAWYEJEXEG-UHFFFAOYSA-N
Mol Weight 292.36 g/mol
Molecular Formula C16H12N4S
Exact Mass 292.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF4wZiXrap6
Name 1-(2-Benzothiazolyl)-3-phenyl-5-methyl-1,2,4-triazole
Alternate Name(s) 2-(5-methyl-3-phenyl-1H-1,2,4-triazol-1-yl)-1,3-benzothiazole
Comments Less than 3 mono-isotopic peaks
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Formula C16H12N4S
InChI InChI=1S/C16H12N4S/c1-11-17-15(12-7-3-2-4-8-12)19-20(11)16-18-13-9-5-6-10-14(13)21-16/h2-10H,1H3
InChIKey LOAMLAWYEJEXEG-UHFFFAOYSA-N
Molecular Weight 292.360 g/mol
SMILES c1(-[n]2nc(-c3ccccc3)nc2C)nc2ccccc2s1
SPLASH splash10-0006-0090000000-d3c505c4e3eb4dd4fc71
Source of Spectrum QB-21-426-6
Wiley ID 860474