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1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE

Compound with spectra: 3 NMR, and 2 MS (GC)

1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE
SpectraBase Compound ID CzcCtknaUsG
InChI InChI=1S/C6H8O2/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H,7,8)
InChIKey ORCXPYPDHLVQFP-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

View Spectrum of 1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-117-2764-0

View Spectrum of 1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-114-613-2

View Spectrum of 1-HYDROXYCARBONYL-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-HYDROXYCARBONYL-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-HYDROXYCARBONYL-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
  • ORCXPYPDHLVQFP-UHFFFAOYSA-N
  • Bicyclo[1.1.1]pentane-1-carboxylic acid
AWXXNEOTLRMFKW-UHFFFAOYSA-N
Butanoic acid, 2,2-diethyl-
2-METHYL-2-ETHYLBUTTERSAEURE
1-Methylcyclopropanecarboxylic acid
2,2-Dimethylbutyric acid
1-Methylcyclopropanecarboxylic acid, potassium salt
ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
cis-3-Methylcyclobutanecarboxylic acid
2,2-Bis(hydroxymethyl)butyric acid
2,2-Dimethyl-hexanoic acid
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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