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3,4-bis(methylthio)-4-tosylbutan-2-one
SpectraBase Compound ID 4ObsNZXWaAN
InChI InChI=1S/C13H18O3S3/c1-9-5-7-11(8-6-9)19(15,16)13(18-4)12(17-3)10(2)14/h5-8,12-13H,1-4H3
InChIKey IWEYTSSVFOSKQO-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C13H18O3S3
Exact Mass 318.041808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LbV9Uvt6oe
Name 3,4-bis(methylthio)-4-tosylbutan-2-one
Alternate Name(s) 4-[(4-methylphenyl)sulfonyl]-3,4-bis(methylsulfanyl)-2-butanone
CAS Registry Number 115563-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S3
InChI InChI=1S/C13H18O3S3/c1-9-5-7-11(8-6-9)19(15,16)13(18-4)12(17-3)10(2)14/h5-8,12-13H,1-4H3
InChIKey IWEYTSSVFOSKQO-UHFFFAOYSA-N
Molecular Weight 318.464 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(C(=O)C)SC)SC
SPLASH splash10-00dl-3900000000-c1d2323f48eeddf6a98f
Source of Spectrum J-53-4713-22
Wiley ID 1318024