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3-(4-Methylphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
SpectraBase Compound ID CrEArzCUGl4
InChI InChI=1S/C13H17N3S/c1-10-4-6-11(7-5-10)12-14-13(17)16-9-3-2-8-15(12)16/h4-7,12H,2-3,8-9H2,1H3,(H,14,17)
InChIKey VTGUDMRESLMOFN-UHFFFAOYSA-N
Mol Weight 247.36 g/mol
Molecular Formula C13H17N3S
Exact Mass 247.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AR8pnkkUKqC
Name 3-(4-Methylphenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo-[1,2-a]pyridazine-1-thione
Alternate Name(s) 3-(p-tolyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione 1-(4-Methylphenyl)-1,2,5,6,7,8-hexahydro-[1,2,4]triazolo[1,2-a]pyridazine-3-thione
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Formula C13H17N3S
InChI InChI=1S/C13H17N3S/c1-10-4-6-11(7-5-10)12-14-13(17)16-9-3-2-8-15(12)16/h4-7,12H,2-3,8-9H2,1H3,(H,14,17)
InChIKey VTGUDMRESLMOFN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 247.360 g/mol
SMILES N1C(N2N(C1c1ccc(cc1)C)CCCC2)=S
SPLASH splash10-000b-9360000000-4bfc2557f9e60139c10a
Source of Spectrum G2-21-5526-2i
Wiley ID 1754140