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4-Oxo-4H-[1]benzothieno[3,2-b]thiopyran-3-carboxylic acid
SpectraBase Compound ID BPljL06Ekcg
InChI InChI=1S/C12H6O3S2/c13-9-7(12(14)15)5-16-10-6-3-1-2-4-8(6)17-11(9)10/h1-5H,(H,14,15)
InChIKey YYDRMSUOARNKTF-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C12H6O3S2
Exact Mass 261.975836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4nqWcVKVxM
Name 4-Oxo-4H-[1]benzothieno[3,2-b]thiopyran-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H6O3S2
InChI InChI=1S/C12H6O3S2/c13-9-7(12(14)15)5-16-10-6-3-1-2-4-8(6)17-11(9)10/h1-5H,(H,14,15)
InChIKey YYDRMSUOARNKTF-UHFFFAOYSA-N
Molecular Weight 262.297 g/mol
SMILES OC(C=1C(c2c(SC1)c1ccccc1s2)=O)=O
SPLASH splash10-03xr-0090000000-d4a491b2b4e78f5e7f01
Source of Spectrum D8-323-845-9
Synonyms 4-oxo-4H-thiino[3,2-b][1]benzothiophene-3-carboxylic acid
Wiley ID 1513806