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2,2-bis(methylthio)-2-(2-oxocyclohexyl)acetic acid methyl ester
SpectraBase Compound ID 75EPBhIplvP
InChI InChI=1S/C11H18O3S2/c1-14-10(13)11(15-2,16-3)8-6-4-5-7-9(8)12/h8H,4-7H2,1-3H3
InChIKey CGIVZPLINIEGTE-UHFFFAOYSA-N
Mol Weight 262.38 g/mol
Molecular Formula C11H18O3S2
Exact Mass 262.069737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILE0JzNPhTB
Name 2,2-bis(methylthio)-2-(2-oxocyclohexyl)acetic acid methyl ester
CAS Registry Number 111017-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3S2
InChI InChI=1S/C11H18O3S2/c1-14-10(13)11(15-2,16-3)8-6-4-5-7-9(8)12/h8H,4-7H2,1-3H3
InChIKey CGIVZPLINIEGTE-UHFFFAOYSA-N
Molecular Weight 262.382 g/mol
SMILES C(C1C(=O)CCCC1)(C(=O)OC)(SC)SC
SPLASH splash10-00or-7960000000-01702c51dd632105a8b9
Source of Spectrum F-43-2483-6
Synonyms 2-(2-ketocyclohexyl)-2,2-bis(methylthio)acetic acid methyl ester Methyl 2,2-bis(methylsulfanyl)-2-(2-oxidanylidenecyclohexyl)ethanoate Methyl 2,2-bis(methylsulfanyl)-2-(2-oxocyclohexyl)acetate
Wiley ID 1265330