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5-Isobutyl-5-methyl-2-phenyl-2,5-dihydro-1H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID 7Hrj4IH1YD7
InChI InChI=1S/C13H19N3S/c1-10(2)9-13(3)14-12(17)16(15-13)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3,(H,14,17)
InChIKey WVCFFDMZHCQTJD-UHFFFAOYSA-N
Mol Weight 249.38 g/mol
Molecular Formula C13H19N3S
Exact Mass 249.129969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SwVEH079JH
Name 5-Isobutyl-5-methyl-2-phenyl-2,5-dihydro-1H-[1,2,4]triazole-3-thiol
Alternate Name(s) 5-isobutyl-5-methyl-2-phenyl-1,2,4-triazolidine-3-thione 5-Isobutyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl hydrosulfide 5-Methyl-5-(2-methylpropyl)-2-phenyl-1,2,4-triazolidine-3-thione
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Formula C13H19N3S
InChI InChI=1S/C13H19N3S/c1-10(2)9-13(3)14-12(17)16(15-13)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3,(H,14,17)
InChIKey WVCFFDMZHCQTJD-UHFFFAOYSA-N
Molecular Weight 249.376 g/mol
SMILES N1N(C(=NC1(CC(C)C)C)S)c1ccccc1
SPLASH splash10-0006-9500000000-1dda848585ed6235099c
Wiley ID 1446327