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2-(methylthio)-4-oxo-1-benzothiopyran-3-carboxaldehyde
SpectraBase Compound ID 48ijmNOfu98
InChI InChI=1S/C11H8O2S2/c1-14-11-8(6-12)10(13)7-4-2-3-5-9(7)15-11/h2-6H,1H3
InChIKey IHVIFUGAQCYWTG-UHFFFAOYSA-N
Mol Weight 236.3 g/mol
Molecular Formula C11H8O2S2
Exact Mass 235.996572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VOhNjfzOCC
Name 2-(methylthio)-4-oxo-1-benzothiopyran-3-carboxaldehyde
Alternate Name(s) 2-Methylsulfanyl-4-oxidanylidene-thiochromene-3-carbaldehyde 2-Methylsulfanyl-4-oxo-thiochromene-3-carbaldehyde 4-keto-2-(methylthio)thiochromene-3-carbaldehyde
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Formula C11H8O2S2
InChI InChI=1S/C11H8O2S2/c1-14-11-8(6-12)10(13)7-4-2-3-5-9(7)15-11/h2-6H,1H3
InChIKey IHVIFUGAQCYWTG-UHFFFAOYSA-N
Molecular Weight 236.303 g/mol
SMILES C=1(Sc2c(C(C1C=O)=O)cccc2)SC
SPLASH splash10-0a4i-0190000000-5160c79a9547e30bfb0d
Source of Spectrum SO-0-668-4
Wiley ID 1543432