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Bicyclo[2.1.1]hexane-2,3-diol, 5-(phenylthio)-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.beta.)-
SpectraBase Compound ID IlHtGbG9w9T
InChI InChI=1S/C12H14O2S/c13-10-8-6-9(11(10)14)12(8)15-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10+,11-,12-
InChIKey UNJKRNPDQWMCLF-CSPFCNMYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3btqCzHO5Wr
Name Bicyclo[2.1.1]hexane-2,3-diol, 5-(phenylthio)-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.beta.)-
CAS Registry Number 93099-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c13-10-8-6-9(11(10)14)12(8)15-7-4-2-1-3-5-7/h1-5,8-14H,6H2/t8-,9+,10+,11-,12-
InChIKey UNJKRNPDQWMCLF-CSPFCNMYSA-N
Molecular Weight 222.302 g/mol
SMILES O[C@@]1([C@@]([C@]2([C@]([C@@]1(C2)[H])(Sc1ccccc1)[H])[H])(O)[H])[H]
SPLASH splash10-014i-7900000000-4bec69dfdc88f28ad192
Source of Spectrum K-117-2980-0
Synonyms (1R,2R,3S,4S)-5-(phenylsulfanyl)bicyclo[2.1.1]hexane-2,3-diol endo-5-(phenylthio)bicyclo[2.1.1]hexane-cis-2,3-diol
Wiley ID 1222123