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5-(4-Methylphenyl)-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
SpectraBase Compound ID CgJt2JRB4ct
InChI InChI=1S/C14H16O2S2/c1-9-4-6-10(7-5-9)13-14(16-13)11(15)8-12(17-2)18-3/h4-8,13-14H,1-3H3
InChIKey VFOHIEUOHUQPKV-UHFFFAOYSA-N
Mol Weight 280.4 g/mol
Molecular Formula C14H16O2S2
Exact Mass 280.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q6anKh8F8J
Name 5-(4-Methylphenyl)-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
Alternate Name(s) 1-[3-(4-methylphenyl)-2-oxiranyl]-3,3-bis(methylsulfanyl)-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S2
InChI InChI=1S/C14H16O2S2/c1-9-4-6-10(7-5-9)13-14(16-13)11(15)8-12(17-2)18-3/h4-8,13-14H,1-3H3
InChIKey VFOHIEUOHUQPKV-UHFFFAOYSA-N
Molecular Weight 280.400 g/mol
SMILES C(=CC(C1C(O1)c1ccc(cc1)C)=O)(SC)SC
SPLASH splash10-0002-0970000000-3230ec650e4b58a250fc
Source of Spectrum SO-0-893-2
Wiley ID 1539652