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2-(2-oxo-1,2-dithiophen-2-ylethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EbOVJj8Titi
InChI InChI=1S/C17H12O5S4/c1-21-15(19)13-14(16(20)22-2)26-17(25-13)11(9-5-3-7-23-9)12(18)10-6-4-8-24-10/h3-8H,1-2H3
InChIKey XEGBVPADLXTEDS-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C17H12O5S4
Exact Mass 423.956758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZe3gdlorjG
Name 2-(2-oxo-1,2-dithiophen-2-ylethylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 2-[2-keto-1,2-bis(2-thienyl)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester dimethyl 2-(2-oxidanylidene-1,2-dithiophen-2-yl-ethylidene)-1,3-dithiole-4,5-dicarboxylate dimethyl 2-(2-oxo-1,2-dithiophen-2-ylethylidene)-1,3-dithiole-4,5-dicarboxylate dimethyl 2-[2-oxo-1,2-bis(2-thienyl)ethylidene]-1,3-dithiole-4,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H12O5S4
InChI InChI=1S/C17H12O5S4/c1-21-15(19)13-14(16(20)22-2)26-17(25-13)11(9-5-3-7-23-9)12(18)10-6-4-8-24-10/h3-8H,1-2H3
InChIKey XEGBVPADLXTEDS-UHFFFAOYSA-N
Molecular Weight 424.518 g/mol
SMILES C1(=C(SC(S1)=C(C(c1sccc1)=O)c1sccc1)C(=O)OC)C(=O)OC
SPLASH splash10-03k9-0600900000-4176e3f03d0c60c40a5c
Source of Spectrum KC-1993-909-22
Wiley ID 779323