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Diethyl 4-Oxo-4H-cyclopenta[b]thiophene-5,5(6H)-dicarboxylate
SpectraBase Compound ID G5DO1EwVzZ5
InChI InChI=1S/C13H14O5S/c1-3-17-11(15)13(12(16)18-4-2)7-9-8(10(13)14)5-6-19-9/h5-6H,3-4,7H2,1-2H3
InChIKey CUKBFMLXXXQBRV-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C13H14O5S
Exact Mass 282.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kT62FusIJ8
Name Diethyl 4-Oxo-4H-cyclopenta[b]thiophene-5,5(6H)-dicarboxylate
Appearance White solid
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Formula C13H14O5S
InChI InChI=1S/C13H14O5S/c1-3-17-11(15)13(12(16)18-4-2)7-9-8(10(13)14)5-6-19-9/h5-6H,3-4,7H2,1-2H3
InChIKey CUKBFMLXXXQBRV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/asia.201901595
Molecular Weight 282.310 g/mol
Reported Formula C13H14O5S
SMILES c12c(C(C(C2)(C(=O)OCC)C(=O)OCC)=O)ccs1
SPLASH splash10-03dr-1920000000-669fc5219bcec8c48800
Source of Spectrum CAJ-15-SM6-14
Thin-Layer Chromatography Rf = 0.26 (Hexane/AcOEt, 3:1)
Wiley ID 1839703