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1,3-Cyclohexanedione, 5,5-dimethyl-2,2-bis(methylthio)-
SpectraBase Compound ID 3jE6UN1d0NO
InChI InChI=1S/C10H16O2S2/c1-9(2)5-7(11)10(13-3,14-4)8(12)6-9/h5-6H2,1-4H3
InChIKey BAQFMSUAEHWKIN-UHFFFAOYSA-N
Mol Weight 232.36 g/mol
Molecular Formula C10H16O2S2
Exact Mass 232.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlBQU02PqHQ
Name 1,3-Cyclohexanedione, 5,5-dimethyl-2,2-bis(methylthio)-
Alternate Name(s) 2,2-Bis(methylthio)dimedone 5,5-Dimethyl-2,2-bis(methylsulfanyl)-1,3-cyclohexanedione
CAS Registry Number 79255-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S2
InChI InChI=1S/C10H16O2S2/c1-9(2)5-7(11)10(13-3,14-4)8(12)6-9/h5-6H2,1-4H3
InChIKey BAQFMSUAEHWKIN-UHFFFAOYSA-N
Molecular Weight 232.356 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)(SC)SC
SPLASH splash10-001i-9450000000-00b800fd4926c3e3a3ba
Source of Spectrum J-46-4914-0
Wiley ID 1233313