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1-(Phenylthio)bicyclo[1.1.1]pentane

Compound with spectra: 3 NMR, and 1 MS (GC)

1-(Phenylthio)bicyclo[1.1.1]pentane
SpectraBase Compound ID 85x1ilOiOFZ
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChIKey AXGWEHWIGICNLX-UHFFFAOYSA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

View Spectrum of 1-(Phenylthio)bicyclo[1.1.1]pentane

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of 1-(Phenylthio)bicyclo[1.1.1]pentane

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 1-(Phenylthio)bicyclo[1.1.1]pentane

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of 1-(Phenylthio)bicyclo[1.1.1]pentane

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QE-24-1377-7a (DOI: 10.1002/chem.201704105)
  • 1-Thiophenyl-(1.1.1)propellane
[Bicyclo[1.1.1]pent-1-yl-3-(2H)](phenyl)sulfane
1-(Phenylthio)cyclopropanol
2-Hexyl phenyl sulfide
(Cyclopentylsulfanyl)benzene
1-Propanol, 2-methyl-2-(phenylthio)-
Cyclohexyl phenyl sulfide
(2-Methylbut-3-en-2-yl)(phenyl)sulfane
DBOXSQUBSAIJAG-UHFFFAOYSA-N
[[(1S,2S)-2-methylcyclopropyl]thio]benzene
CIS-1-PHENYLTHIO-2-METHYLCYCLOPROPANE
(1,2,2-Trimethylpropylthio)benzene
Title Journal or Book Year
Influence ofσ-hyperconjugative interactions on13C substituent chemical shifts: experimental and theoretical study in 1-X,3-CH3-bicyclo[1.1.1]pentanes Magnetic Resonance in Chemistry 2004
A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes Magnetic Resonance in Chemistry 2000
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