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(2R*,6R*)-4-(tert-Butyl)-2,6-di(methylthio)cyclohexanone
SpectraBase Compound ID BOkJJ2UVCbF
InChI InChI=1S/C12H22OS2/c1-12(2,3)8-6-9(14-4)11(13)10(7-8)15-5/h8-10H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKey WSTKKXWOVAZXSA-NXEZZACHSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ihN72InnvN
Name (2R*,6R*)-4-(tert-Butyl)-2,6-di(methylthio)cyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-12(2,3)8-6-9(14-4)11(13)10(7-8)15-5/h8-10H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKey WSTKKXWOVAZXSA-NXEZZACHSA-N
Molecular Weight 246.427 g/mol
SMILES C1([C@@](CC(C[C@]1(SC)[H])C(C)(C)C)(SC)[H])=O
SPLASH splash10-0002-0920000000-44cee94f9523a1d4fa66
Source of Spectrum F-67-2310-0
Wiley ID 1686027