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4H-1,2,4-Triazole-3-thiol, 1-ethyl-5-(3,5-dimethoxyphenyl)-
SpectraBase Compound ID BI7LEMrK3b4
InChI InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-9(16-2)7-10(6-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)
InChIKey DQRBFWVICTYVIO-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eDphzKM0QH
Name 4H-1,2,4-Triazole-3-thiol, 1-ethyl-5-(3,5-dimethoxyphenyl)-
Alternate Name(s) 3-(3,5-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione 5-(3,5-Dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
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Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-4-15-11(13-14-12(15)18)8-5-9(16-2)7-10(6-8)17-3/h5-7H,4H2,1-3H3,(H,14,18)
InChIKey DQRBFWVICTYVIO-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES Sc1[n](c(nn1)-c1cc(cc(c1)OC)OC)CC
SPLASH splash10-02t9-3490000000-17c46c04626cbd3f84cf
Wiley ID 1455774