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2-[(E)-4-keto-1,4-bis(2-thienyl)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6TfRR4Yji3Z
InChI InChI=1S/C19H14O5S4/c1-23-17(21)15-16(18(22)24-2)28-19(27-15)11(13-5-3-9-25-13)7-8-12(20)14-6-4-10-26-14/h3-10H,1-2H3/b8-7+
InChIKey HFHUELUNHJGWNO-BQYQJAHWSA-N
Mol Weight 450.6 g/mol
Molecular Formula C19H14O5S4
Exact Mass 449.972408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P4cqjDkoKE
Name 2-[(E)-4-keto-1,4-bis(2-thienyl)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 2-[(E)-4-oxo-1,4-dithiophen-2-ylbut-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-[(E)-4-oxidanylidene-1,4-dithiophen-2-yl-but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[(E)-4-oxo-1,4-bis(2-thienyl)but-2-enylidene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[(E)-4-oxo-1,4-dithiophen-2-ylbut-2-enylidene]-1,3-dithiole-4,5-dicarboxylate
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Formula C19H14O5S4
InChI InChI=1S/C19H14O5S4/c1-23-17(21)15-16(18(22)24-2)28-19(27-15)11(13-5-3-9-25-13)7-8-12(20)14-6-4-10-26-14/h3-10H,1-2H3/b8-7+
InChIKey HFHUELUNHJGWNO-BQYQJAHWSA-N
Molecular Weight 450.556 g/mol
SMILES C1(=C(SC(S1)=C(\C=C\C(c1sccc1)=O)c1sccc1)C(=O)OC)C(=O)OC
SPLASH splash10-001i-0290100000-2c11407f883d3d8e3336
Source of Spectrum KC-1993-910-25
Wiley ID 779321