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4-Oxo-4H-benzothieno[1,2-b]thiopyran-3-carbaldehyde -
SpectraBase Compound ID LAMHKUfd17K
InChI InChI=1S/C12H6O2S2/c13-5-7-6-15-11-8-3-1-2-4-9(8)16-12(11)10(7)14/h1-6H
InChIKey ACSMQQXBOBLJEN-UHFFFAOYSA-N
Mol Weight 246.3 g/mol
Molecular Formula C12H6O2S2
Exact Mass 245.980922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RnpZvjkrOc
Name 4-Oxo-4H-benzothieno[1,2-b]thiopyran-3-carbaldehyde -
Comments Less than 3 mono-isotopic peaks
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Formula C12H6O2S2
InChI InChI=1S/C12H6O2S2/c13-5-7-6-15-11-8-3-1-2-4-9(8)16-12(11)10(7)14/h1-6H
InChIKey ACSMQQXBOBLJEN-UHFFFAOYSA-N
Molecular Weight 246.298 g/mol
SMILES c12c(SC=C(C2=O)C=O)c2ccccc2s1
SPLASH splash10-014i-0090000000-258c538bf3b4fc13679e
Source of Spectrum D8-323-844-6
Wiley ID 1513813