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4H-1,2,4-triazole, 3-methyl-5-[(phenylmethyl)thio]-
SpectraBase Compound ID Hw8KrXTL3iO
InChI InChI=1S/C10H11N3S/c1-8-11-10(13-12-8)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKey VTZCBPXYGXVXMP-UHFFFAOYSA-N
Mol Weight 205.28 g/mol
Molecular Formula C10H11N3S
Exact Mass 205.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Vydy5brhsU
Name 4H-1,2,4-triazole, 3-methyl-5-[(phenylmethyl)thio]-
Alternate Name(s) 3-(benzylthio)-5-methyl-4H-1,2,4-triazole 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole 5-Methyl-3-(phenylmethylthio)-1H-1,2,4-triazole 3-Benzylsulfanyl-5-methyl-1H-1,2,4-triazole 5-Methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole
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Formula C10H11N3S
InChI InChI=1S/C10H11N3S/c1-8-11-10(13-12-8)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKey VTZCBPXYGXVXMP-UHFFFAOYSA-N
Molecular Weight 205.279 g/mol
SMILES [nH]1c(nnc1C)SCc1ccccc1
SPLASH splash10-0006-9120000000-4d6b751507c85c637ac0
Source of Spectrum JX-2015-5-778
Wiley ID 1727532