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3-(bromomethyl)-4-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)thiophene-2,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID 5LfueGDr2wh
InChI InChI=1S/C19H23BrO8S/c1-5-25-16(21)12(17(22)26-6-2)9-11-13(10-20)15(19(24)28-8-4)29-14(11)18(23)27-7-3/h9H,5-8,10H2,1-4H3
InChIKey ZITPENYVIGROJG-UHFFFAOYSA-N
Mol Weight 491.35 g/mol
Molecular Formula C19H23BrO8S
Exact Mass 490.029702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1ywqiuC64K
Name 3-(bromomethyl)-4-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)thiophene-2,5-dicarboxylic acid diethyl ester
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Formula C19H23BrO8S
InChI InChI=1S/C19H23BrO8S/c1-5-25-16(21)12(17(22)26-6-2)9-11-13(10-20)15(19(24)28-8-4)29-14(11)18(23)27-7-3/h9H,5-8,10H2,1-4H3
InChIKey ZITPENYVIGROJG-UHFFFAOYSA-N
Molecular Weight 491.349 g/mol
SMILES c1(c(sc(c1CBr)C(=O)OCC)C(=O)OCC)C=C(C(=O)OCC)C(=O)OCC
SPLASH splash10-014i-0001900000-16f3875f4e585c079f14
Source of Spectrum KC-0-3068-8
Synonyms 3-(bromomethyl)-4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)thiophene-2,5-dicarboxylic acid diethyl ester Diethyl 3-(bromomethyl)-4-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)thiophene-2,5-dicarboxylate Diethyl 3-(bromomethyl)-4-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)thiophene-2,5-dicarboxylate
Wiley ID 782547