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methyl N-(4-methyl-3,5-dicarboxyethyl-thiophene)dithiocarbamate
SpectraBase Compound ID 7ob1AjVYtCK
InChI InChI=1S/C13H17NO4S3/c1-5-17-11(15)8-7(3)9(12(16)18-6-2)21-10(8)14-13(19)20-4/h5-6H2,1-4H3,(H,14,19)
InChIKey JPKHXNKSJRCTKR-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C13H17NO4S3
Exact Mass 347.031972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq56RfLmNsR
Name methyl N-(4-methyl-3,5-dicarboxyethyl-thiophene)dithiocarbamate
Alternate Name(s) 3-methyl-5-[[(methylthio)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester diethyl 3-methyl-5-(methylsulfanylcarbothioylamino)thiophene-2,4-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO4S3
InChI InChI=1S/C13H17NO4S3/c1-5-17-11(15)8-7(3)9(12(16)18-6-2)21-10(8)14-13(19)20-4/h5-6H2,1-4H3,(H,14,19)
InChIKey JPKHXNKSJRCTKR-UHFFFAOYSA-N
Molecular Weight 347.462 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(=S)SC
SPLASH splash10-0002-0009000000-9257f656f21091d2d8b6
Source of Spectrum F2-45-1490-4a
Wiley ID 1703322