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(2R*,4S*)-4-(tert-Butyl)-2-(methylthio)cyclohexanone
SpectraBase Compound ID L278QTjeyn7
InChI InChI=1S/C11H20OS/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKey ARPKFFQSQVKRIG-WCBMZHEXSA-N
Mol Weight 200.34 g/mol
Molecular Formula C11H20OS
Exact Mass 200.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6RgEebSYxt
Name (2R*,4S*)-4-(tert-Butyl)-2-(methylthio)cyclohexanone
CAS Registry Number 62151-61-5
Comments Less than 3 mono-isotopic peaks
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Formula C11H20OS
InChI InChI=1S/C11H20OS/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKey ARPKFFQSQVKRIG-WCBMZHEXSA-N
Molecular Weight 200.340 g/mol
SMILES C1([C@@](C[C@](CC1)(C(C)(C)C)[H])(SC)[H])=O
SPLASH splash10-0udi-0390000000-5afaa7a8db9b049dc82f
Source of Spectrum F-67-2309-0
Synonyms (2R,4S)-4-tert-butyl-2-(methylthio)-1-cyclohexanone (2R,4S)-4-tert-butyl-2-(methylthio)cyclohexanone (2R,4S)-4-tert-butyl-2-methylsulfanylcyclohexan-1-one (2R,4S)-4-tert-butyl-2-methylsulfanyl-cyclohexan-1-one (2R,4S)-4-tert-butyl-2-methylsulfanyl-cyclohexanone
Wiley ID 1686029