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2,3-Dihydro-4-oxo-4H-[1]benzothieno[3,2-b]thiopyran-2-carboxylic acid
SpectraBase Compound ID AXG3bYOxfL2
InChI InChI=1S/C12H8O3S2/c13-7-5-9(12(14)15)17-10-6-3-1-2-4-8(6)16-11(7)10/h1-4,9H,5H2,(H,14,15)
InChIKey AYJWYPBGEUVKEX-UHFFFAOYSA-N
Mol Weight 264.31 g/mol
Molecular Formula C12H8O3S2
Exact Mass 263.991486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wKOMagmBFp
Name 2,3-Dihydro-4-oxo-4H-[1]benzothieno[3,2-b]thiopyran-2-carboxylic acid
Alternate Name(s) 4-oxo-3,4-dihydro-2H-thiino[3,2-b][1]benzothiophene-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H8O3S2
InChI InChI=1S/C12H8O3S2/c13-7-5-9(12(14)15)17-10-6-3-1-2-4-8(6)16-11(7)10/h1-4,9H,5H2,(H,14,15)
InChIKey AYJWYPBGEUVKEX-UHFFFAOYSA-N
Molecular Weight 264.313 g/mol
SMILES OC(C1Sc2c(sc3c2cccc3)C(=O)C1)=O
SPLASH splash10-01ox-0980000000-77fa5a3e88a07f53ec63
Source of Spectrum D8-323-849-1
Wiley ID 1513803