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5-(4-Chlorophenyl)-2-(methylthio)-4-pyranone
SpectraBase Compound ID DMDjqQDdYet
InChI InChI=1S/C12H9ClO2S/c1-16-12-6-11(14)10(7-15-12)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKey YQQHOSGQKIBDRA-UHFFFAOYSA-N
Mol Weight 252.71 g/mol
Molecular Formula C12H9ClO2S
Exact Mass 252.001178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJlCOTLyrdh
Name 5-(4-Chlorophenyl)-2-(methylthio)-4-pyranone
Alternate Name(s) 5-(4-Chlorophenyl)-2-(methylthio)pyran-4-one 5-(4-Chlorophenyl)-2-methylsulfanyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClO2S
InChI InChI=1S/C12H9ClO2S/c1-16-12-6-11(14)10(7-15-12)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKey YQQHOSGQKIBDRA-UHFFFAOYSA-N
Molecular Weight 252.715 g/mol
SMILES C1(=CC(C(=CO1)c1ccc(cc1)Cl)=O)SC
SPLASH splash10-0f79-0950000000-910393a1843216978eac
Source of Spectrum SO-0-895-4
Wiley ID 1539643