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phenyl(2-thienyl)glyoxal
SpectraBase Compound ID Tzt0qIJwkX
InChI InChI=1S/C12H8O2S/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8H
InChIKey XRKPGGCWIIXZNF-UHFFFAOYSA-N
Mol Weight 216.25 g/mol
Molecular Formula C12H8O2S
Exact Mass 216.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8juoiS9PVjH
Name 1-Phenyl-2-(thiophen-2-yl)ethane-1,2-dione
Appearance Orange solid
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Exact Mass 216.024500670 u
Formula C12H8O2S
InChI InChI=1S/C12H8O2S/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8H
InChIKey XRKPGGCWIIXZNF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900903
Molecular Weight 216.254 g/mol
Quality 153
Reported Formula C12H8O2S
SMILES C1(=CC=CC=C1)C(C(=O)C=1SC=CC1)=O
SPLASH splash10-0bt9-1910000000-9e2d2c3ad17d1e5e20a1
Source of Spectrum QE-25-SM26-6n (DOI: 10.1002/chem.201900903)
Wiley ID 1893805