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2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
SpectraBase Compound ID AsRKKnSEzhC
InChI InChI=1S/C12H10O2S2/c1-2-15-12-9(7-13)11(14)8-5-3-4-6-10(8)16-12/h3-7H,2H2,1H3
InChIKey ZFTVOSOHWQNLKI-UHFFFAOYSA-N
Mol Weight 250.33 g/mol
Molecular Formula C12H10O2S2
Exact Mass 250.012222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQRdpgOEGjf
Name 2-Ethylthio-4-oxo-4H-1-benzothiin-3-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C12H10O2S2
InChI InChI=1S/C12H10O2S2/c1-2-15-12-9(7-13)11(14)8-5-3-4-6-10(8)16-12/h3-7H,2H2,1H3
InChIKey ZFTVOSOHWQNLKI-UHFFFAOYSA-N
Molecular Weight 250.330 g/mol
SMILES C=1(Sc2c(C(C1C=O)=O)cccc2)SCC
SPLASH splash10-00di-0090000000-4b3ce1af0b2db536eda5
Source of Spectrum SO-0-668-4
Synonyms 2-(ethylsulfanyl)-4-oxo-4H-1-benzothiopyran-3-carbaldehyde
Wiley ID 1543431