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(E)-Dimethyl 2-(benzo[b]thiophen-2-ylmethylene)succinate
SpectraBase Compound ID CtOJIRpPANN
InChI InChI=1S/C15H14O4S/c1-18-14(16)9-11(15(17)19-2)8-12-7-10-5-3-4-6-13(10)20-12/h3-8H,9H2,1-2H3/b11-8+
InChIKey QKIZZZYHKDDHFR-DHZHZOJOSA-N
Mol Weight 290.33 g/mol
Molecular Formula C15H14O4S
Exact Mass 290.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Pe7XPp8UL
Name (E)-Dimethyl 2-(benzo[b]thiophen-2-ylmethylene)succinate
Appearance Colorless crystals
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Exact Mass 290.061280101 u
Formula C15H14O4S
InChI InChI=1S/C15H14O4S/c1-18-14(16)9-11(15(17)19-2)8-12-7-10-5-3-4-6-13(10)20-12/h3-8H,9H2,1-2H3/b11-8+
InChIKey QKIZZZYHKDDHFR-DHZHZOJOSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Quality 19
Reported Formula C15H14O4S
SMILES C1(\C=C\(C(=O)OC)CC(OC)=O)=CC2=C(S1)C=CC=C2
SPLASH splash10-00dl-0980000000-c7bd56550173d7dcda5a
Source of Spectrum QE-22-2464-3cd (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.29 (SiO2, CH/EtOAc, 5:1)
Wiley ID 1903587