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[1S*,2R*,4S*,(S)R*]-4-(1,1-dimethylethyl)-2-(methylsulfinyl)cyclohexanol
SpectraBase Compound ID BPiXyCXKtOM
InChI InChI=1S/C11H22O2S/c1-11(2,3)8-5-6-9(12)10(7-8)14(4)13/h8-10,12H,5-7H2,1-4H3/t8-,9-,10+,14?/m0/s1
InChIKey XNFXFEDPZZOBHZ-UDAJDXAQSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NawCKUkD3Y
Name [1S*,2R*,4S*,(S)S*]-4-(1,1-dimethylethyl)-2-(methylsulfinyl)cyclohexanol
CAS Registry Number 125074-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-11(2,3)8-5-6-9(12)10(7-8)14(4)13/h8-10,12H,5-7H2,1-4H3/t8-,9-,10+,14?/m0/s1
InChIKey XNFXFEDPZZOBHZ-UDAJDXAQSA-N
Molecular Weight 218.355 g/mol
SMILES O[C@@]1([C@@](C[C@@](C(C)(C)C)(CC1)[H])([S@@](=O)C)[H])[H]
SPLASH splash10-0a59-9000000000-3200ebca13ca143a36db
Source of Spectrum J-55-2128-26
Synonyms (1S,2R,4S)-4-tert-butyl-2-(methylsulfinyl)cyclohexanol
Wiley ID 1217374