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4-ketothiopyrano[3,2-b]benzofuran-3-carboxylic acid
SpectraBase Compound ID 6BoVLjwUYGU
InChI InChI=1S/C12H6O4S/c13-9-7(12(14)15)5-17-11-6-3-1-2-4-8(6)16-10(9)11/h1-5H,(H,14,15)
InChIKey DKAYZWXUZFZBMC-UHFFFAOYSA-N
Mol Weight 246.24 g/mol
Molecular Formula C12H6O4S
Exact Mass 245.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DUnqrwHPwv
Name 4-ketothiopyrano[3,2-b]benzofuran-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H6O4S
InChI InChI=1S/C12H6O4S/c13-9-7(12(14)15)5-17-11-6-3-1-2-4-8(6)16-10(9)11/h1-5H,(H,14,15)
InChIKey DKAYZWXUZFZBMC-UHFFFAOYSA-N
Molecular Weight 246.236 g/mol
SMILES OC(C=1C(c2c(SC1)c1ccccc1o2)=O)=O
SPLASH splash10-0f6t-0090000000-707e1c921b9bd91bc18f
Source of Spectrum D8-323-845-9
Synonyms 4-oxidanylidenethiopyrano[3,2-b][1]benzofuran-3-carboxylic acid 4-oxo-3-thiopyrano[3,2-b]benzofurancarboxylic acid 4-oxothiopyrano[3,2-b]benzofuran-3-carboxylic acid 4-oxothiopyrano[3,2-b][1]benzofuran-3-carboxylic acid
Wiley ID 1513807