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2-[(cyanothioformyl)amino]-4,5-dimethoxy-benzoic acid methyl ester
SpectraBase Compound ID EiLx6mAI8m7
InChI InChI=1S/C12H12N2O4S/c1-16-9-4-7(12(15)18-3)8(5-10(9)17-2)14-11(19)6-13/h4-5H,1-3H3,(H,14,19)
InChIKey JQHYMCOLYAMGAF-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C12H12N2O4S
Exact Mass 280.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNNvfEzbOXf
Name 2-[(cyanothioformyl)amino]-4,5-dimethoxy-benzoic acid methyl ester
Alternate Name(s) 2-[[cyano(sulfanylidene)methyl]amino]-4,5-dimethoxybenzoic acid methyl ester Methyl 2-[(cyanocarbothioyl)amino]-4,5-dimethoxy-benzoate Methyl 2-[(cyanocarbothioyl)amino]-4,5-dimethoxybenzoate
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Formula C12H12N2O4S
InChI InChI=1S/C12H12N2O4S/c1-16-9-4-7(12(15)18-3)8(5-10(9)17-2)14-11(19)6-13/h4-5H,1-3H3,(H,14,19)
InChIKey JQHYMCOLYAMGAF-UHFFFAOYSA-N
Molecular Weight 280.298 g/mol
SMILES N(c1c(cc(c(OC)c1)OC)C(=O)OC)C(C#N)=S
SPLASH splash10-0udi-0090000000-2b02eacc6c40a27ae153
Source of Spectrum KC-0-2101-12
Wiley ID 784353