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5-Phenyl-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
SpectraBase Compound ID JMmMZ6V7fzH
InChI InChI=1S/C13H14O2S2/c1-16-11(17-2)8-10(14)13-12(15-13)9-6-4-3-5-7-9/h3-8,12-13H,1-2H3
InChIKey PWXAQFXBYRHOQU-UHFFFAOYSA-N
Mol Weight 266.37 g/mol
Molecular Formula C13H14O2S2
Exact Mass 266.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At179JQrxgZ
Name 5-Phenyl-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
Alternate Name(s) 3,3-bis(methylsulfanyl)-1-(3-phenyl-2-oxiranyl)-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S2
InChI InChI=1S/C13H14O2S2/c1-16-11(17-2)8-10(14)13-12(15-13)9-6-4-3-5-7-9/h3-8,12-13H,1-2H3
InChIKey PWXAQFXBYRHOQU-UHFFFAOYSA-N
Molecular Weight 266.373 g/mol
SMILES C(=CC(C1C(O1)c1ccccc1)=O)(SC)SC
SPLASH splash10-000b-0690000000-14ba5d1ad36a05f0b234
Source of Spectrum SO-0-893-2
Wiley ID 1539653