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1-Nitrobicyclo[1.1.1]pentane
SpectraBase Compound ID 5bdEGcgkLdn
InChI InChI=1S/C5H7NO2/c7-6(8)5-1-4(2-5)3-5/h4H,1-3H2
InChIKey NZZVPGCRTGIOIU-UHFFFAOYSA-N
Mol Weight 113.12 g/mol
Molecular Formula C5H7NO2
Exact Mass 113.047678 g/mol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum J-58-1376-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • NZZVPGCRTGIOIU-UHFFFAOYSA-N
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
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