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Bicyclo[2.1.1]hexane, 5-(phenylthio)-, (1.alpha.,4.alpha.,5.beta.)-
SpectraBase Compound ID 9emQZtVwJnR
InChI InChI=1S/C12H14S/c1-2-4-11(5-3-1)13-12-9-6-7-10(12)8-9/h1-5,9-10,12H,6-8H2/t9-,10+,12?
InChIKey SZABSDNYBGMXFX-DHHPTOIESA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWyccSgL9jC
Name Bicyclo[2.1.1]hexane, 5-(phenylthio)-, (1.alpha.,4.alpha.,5.beta.)-
CAS Registry Number 67132-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14S
InChI InChI=1S/C12H14S/c1-2-4-11(5-3-1)13-12-9-6-7-10(12)8-9/h1-5,9-10,12H,6-8H2/t9-,10+,12?
InChIKey SZABSDNYBGMXFX-DHHPTOIESA-N
Molecular Weight 190.304 g/mol
SMILES C1([C@]2(CC[C@@]1(C2)[H])[H])Sc1ccccc1
SPLASH splash10-00nb-4900000000-868c7c26082ccdd93101
Source of Spectrum K-112-2018-0
Synonyms 5-(Phenylsulfanyl)bicyclo[2.1.1]hexane 5-endo-(phenylthio)bicyclo(2.1.1)hexane bicyclo[2.1.1]hex-5-yl phenyl sulfide
Wiley ID 1186826