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2-(methylthio)-5-phenyl-4-pyranone
SpectraBase Compound ID 45PedjRZgJ3
InChI InChI=1S/C12H10O2S/c1-15-12-7-11(13)10(8-14-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey CKZAGGFHJYELRE-UHFFFAOYSA-N
Mol Weight 218.27 g/mol
Molecular Formula C12H10O2S
Exact Mass 218.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QdcDEGtkze
Name 2-(methylthio)-5-phenyl-4-pyranone
Alternate Name(s) 2-(methylthio)-5-phenyl-pyran-4-one 2-Methylsulfanyl-5-phenyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O2S
InChI InChI=1S/C12H10O2S/c1-15-12-7-11(13)10(8-14-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey CKZAGGFHJYELRE-UHFFFAOYSA-N
Molecular Weight 218.270 g/mol
SMILES C1(=CC(C(=CO1)c1ccccc1)=O)SC
SPLASH splash10-0uxr-0950000000-4990ac4c8981990a26ef
Source of Spectrum SO-0-895-4
Wiley ID 1539645