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2-(Cyanothioformamido)-4,5-dimethoxybenzonitrile
SpectraBase Compound ID CUVv9FFuOJv
InChI InChI=1S/C11H9N3O2S/c1-15-9-3-7(5-12)8(4-10(9)16-2)14-11(17)6-13/h3-4H,1-2H3,(H,14,17)
InChIKey DURCPCWOMROJJN-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C11H9N3O2S
Exact Mass 247.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZLGmvaVuVt
Name 2-(Cyanothioformamido)-4,5-dimethoxybenzonitrile
Alternate Name(s) 1-cyano-N-(2-cyano-4,5-dimethoxy-phenyl)methanethioamide 1-cyano-N-(2-cyano-4,5-dimethoxy-phenyl)thioformamide 1-cyano-N-(2-cyano-4,5-dimethoxyphenyl)methanethioamide
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Formula C11H9N3O2S
InChI InChI=1S/C11H9N3O2S/c1-15-9-3-7(5-12)8(4-10(9)16-2)14-11(17)6-13/h3-4H,1-2H3,(H,14,17)
InChIKey DURCPCWOMROJJN-UHFFFAOYSA-N
Molecular Weight 247.272 g/mol
SMILES N(c1c(C#N)cc(c(c1)OC)OC)C(C#N)=S
SPLASH splash10-00di-0190000000-f7980e1f7080c414ee3c
Source of Spectrum KC-0-2858-7
Wiley ID 786957