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c-4-tert-butyl-c-2-(methylthio)-r-1-cyclohexanol
SpectraBase Compound ID KiiPK55e7HJ
InChI InChI=1S/C11H22OS/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h8-10,12H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKey BJSHXNIXWHJDJH-AEJSXWLSSA-N
Mol Weight 202.36 g/mol
Molecular Formula C11H22OS
Exact Mass 202.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cDjWFxOLeP
Name c-4-tert-butyl-c-2-(methylthio)-r-1-cyclohexanol
Alternate Name(s) (1R,2S,4S)-4-tert-butyl-2-(methylsulfanyl)cyclohexanol
CAS Registry Number 108945-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22OS
InChI InChI=1S/C11H22OS/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h8-10,12H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKey BJSHXNIXWHJDJH-AEJSXWLSSA-N
Molecular Weight 202.356 g/mol
SMILES O[C@@]1(CC[C@@](C[C@@]1(SC)[H])(C(C)(C)C)[H])[H]
SPLASH splash10-0a4l-9210000000-796dd37c3d1f5fac3ccd
Source of Spectrum J-52-3624-15
Wiley ID 1199717