For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(4-Chlorophenyl)-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
SpectraBase Compound ID GqMzCl9uuLK
InChI InChI=1S/C13H13ClO2S2/c1-17-11(18-2)7-10(15)13-12(16-13)8-3-5-9(14)6-4-8/h3-7,12-13H,1-2H3
InChIKey YEFKRSIMLISCIN-UHFFFAOYSA-N
Mol Weight 300.82 g/mol
Molecular Formula C13H13ClO2S2
Exact Mass 300.00455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KBtJ6GUudjz
Name 5-(4-Chlorophenyl)-1,1-bis(methylthio)-4,5-epoxy-1-penten-3-one
Alternate Name(s) 1-[3-(4-chlorophenyl)-2-oxiranyl]-3,3-bis(methylsulfanyl)-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2S2
InChI InChI=1S/C13H13ClO2S2/c1-17-11(18-2)7-10(15)13-12(16-13)8-3-5-9(14)6-4-8/h3-7,12-13H,1-2H3
InChIKey YEFKRSIMLISCIN-UHFFFAOYSA-N
Molecular Weight 300.818 g/mol
SMILES C(=CC(C1C(O1)c1ccc(cc1)Cl)=O)(SC)SC
SPLASH splash10-001s-0391000000-b593fc598fd380c9ec74
Source of Spectrum SO-0-893-2
Wiley ID 1539651