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[1S*,2S*,(S)R*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
SpectraBase Compound ID GeBHtg7TvM3
InChI InChI=1S/C14H20O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13-,17?/m0/s1
InChIKey IIZFJZRNURVIRE-RNWUTADCSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XMcnZApppj
Name [1S*,2S*,(S)R*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
Alternate Name(s) [1S*,2S*,(S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol (1S,2S)-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol [1S*,2S*, (S)R*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol [1S*,2S*, (S)S*]-4,4-dimethyl-2-(phenylsulfinyl)cyclohexanol
CAS Registry Number 125074-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-14(2)9-8-12(15)13(10-14)17(16)11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13-,17?/m0/s1
InChIKey IIZFJZRNURVIRE-RNWUTADCSA-N
Molecular Weight 252.372 g/mol
SMILES O[C@@]1([C@@](S(=O)c2ccccc2)(CC(C)(C)CC1)[H])[H]
SPLASH splash10-004i-3900000000-debcc2f362566467415a
Source of Spectrum J-55-2128-24
Wiley ID 1255507