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AWXXNEOTLRMFKW-UHFFFAOYSA-N
SpectraBase Compound ID 6JPNPVmsrOm
InChI InChI=1S/C6H9NO/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H2,7,8)
InChIKey AWXXNEOTLRMFKW-UHFFFAOYSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Benzene-D6
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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-114-615-15
  • 1-AMINOCARBONYL-BICYCLO-[1.1.1]-PENTANE
  • 1-CARBAMOYL-BICYCLO-[1.1.1]-PENTANE
  • Bicyclo(1.1.1)pentane-1-carboxamide
  • 3-bicyclo[1.1.1]pentanecarboxamide
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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