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4-Phenyl-5,5-dimethyl-1,2,4-(4H)-triazole-3(5H)-thione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Phenyl-5,5-dimethyl-1,2,4-(4H)-triazole-3(5H)-thione
SpectraBase Compound ID CbOzdrOA9YJ
InChI InChI=1S/C10H11N3S/c1-10(2)12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey VWIOFPCPXHPMCO-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 738ovtW8vWl
Name 5,5-dimethyl-4-phenyl-1,2,4-triazole-3-thione
Comments Less than 3 mono-isotopic peaks
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Formula C10H11N3S
InChI InChI=1S/C10H11N3S/c1-10(2)12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey VWIOFPCPXHPMCO-UHFFFAOYSA-N
Molecular Weight 205.279 g/mol
SMILES C1(N(C(N=N1)(C)C)c1ccccc1)=S
SPLASH splash10-00fr-9500000000-595a23bf91e05f041855
Source of Spectrum KC-0-2009-13
Synonyms 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione
Wiley ID 828692