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4-isothiazolecarboxamide, N-(4-methoxyphenyl)-3,5-bis(methylthio)-
SpectraBase Compound ID LZq0AJJ4ePl
InChI InChI=1S/C13H14N2O2S3/c1-17-9-6-4-8(5-7-9)14-11(16)10-12(18-2)15-20-13(10)19-3/h4-7H,1-3H3,(H,14,16)
InChIKey UBMRLIUIDSPJIN-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C13H14N2O2S3
Exact Mass 326.021741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3iBWI2f3Mi
Name Isothiazole-4-carboxylic acid, 3,5-bismethylsulfanyl-, (4-methoxyphenyl)amide
Alternate Name(s) N-(4-methoxyphenyl)-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide N-(4-methoxyphenyl)-3,5-bis(methylsulfanyl)isothiazole-4-carboxamide N-(4-methoxyphenyl)-3,5-bis(methylthio)-4-isothiazolecarboxamide N-(4-methoxyphenyl)-3,5-bis(methylthio)isothiazole-4-carboxamide
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Formula C13H14N2O2S3
InChI InChI=1S/C13H14N2O2S3/c1-17-9-6-4-8(5-7-9)14-11(16)10-12(18-2)15-20-13(10)19-3/h4-7H,1-3H3,(H,14,16)
InChIKey UBMRLIUIDSPJIN-UHFFFAOYSA-N
Molecular Weight 326.447 g/mol
SMILES N(C(c1c(snc1SC)SC)=O)c1ccc(cc1)OC
SPLASH splash10-0udi-6594000000-6a1cc4a4df964f630b13
Wiley ID 1436628