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Methyl 3-(cyclohexanon-2-yl)butanedithioate
SpectraBase Compound ID 3Ncczy5JDAI
InChI InChI=1S/C11H18OS2/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h8-9H,3-7H2,1-2H3
InChIKey WLQYYHCBYDQOAB-UHFFFAOYSA-N
Mol Weight 230.38 g/mol
Molecular Formula C11H18OS2
Exact Mass 230.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jIAx2bM7Jv
Name Methyl 3-(cyclohexanon-2-yl)butanedithioate
CAS Registry Number 111300-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18OS2
InChI InChI=1S/C11H18OS2/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h8-9H,3-7H2,1-2H3
InChIKey WLQYYHCBYDQOAB-UHFFFAOYSA-N
Molecular Weight 230.384 g/mol
SMILES C(CC(C1C(=O)CCCC1)C)(=S)SC
SPLASH splash10-090a-9510000000-e363d0527e7786678b45
Source of Spectrum F-44-3582-16
Synonyms Methyl 3-(2-oxocyclohexyl)butanedithioate
Wiley ID 1231433