For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Bicyclo(1.1.1)pentane

Compound with spectra: 6 NMR

Bicyclo(1.1.1)pentane
SpectraBase Compound ID 5vYtVNEuZN3
InChI InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2
InChIKey MKCBRYIXFFGIKN-UHFFFAOYSA-N
Mol Weight 68.12 g/mol
Molecular Formula C5H8
Exact Mass 68.0626 g/mol

View Spectrum of Bicyclo(1.1.1)pentane

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. W. Della, P. E. Pigou J. Amer. Chem. Soc. 106, 1085 (1984)
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol. FX-90

View Spectrum of 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 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 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 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 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
  • MKCBRYIXFFGIKN-UHFFFAOYSA-N
MKCBRYIXFFGIKN-QYKNYGDISA-N
Bicyclo(2.1.1)hex-2-yl cation
Bicyclo(1.1.0)butane
3-Ethyl-pentan-3-ylium cation
3-ethylpentane
Methyl-cyclobutane
1-Methyl-cyclobutyl cation
3-Methyl-pentan-3-ylium cation
3-Methylpentane
2,4-Dimethyl-pentan-2-ylium cation
2,4-Dimethylpentane
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
Transmission of polar substituent effects across the bicyclo[1.1.1]pentane ring system as monitored by19F NMR shifts Magnetic Resonance in Chemistry 2000
A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes Magnetic Resonance in Chemistry 2000
13C spectral parameters of some polycyclic hydrocarbons. II. Bicyclo[3,1,1]heptane, Tricyclo[3,1,1 ,03,6]heptane, Tricyclo[3,3,0,02,6]octane and Bicyclo[1,1,1]pentane Australian Journal of Chemistry 1981
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.