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3-fluorobicyclo[1.1.1]pentane-1-carbonitrile

View entire compound with spectra: 3 NMR

3-fluorobicyclo[1.1.1]pentane-1-carbonitrile
SpectraBase Compound ID Ee3BP7pk7ma
InChI InChI=1S/C6H6FN/c7-6-1-5(2-6,3-6)4-8/h1-3H2
InChIKey HLSNAVSXFGHJCR-UHFFFAOYSA-N
Mol Weight 111.12 g/mol
Molecular Formula C6H6FN
Exact Mass 111.048427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECwfINAPXGs
Name 3-fluorobicyclo[1.1.1]pentane-1-carbonitrile
Compound Number 1(X=CN)
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6FN
InChI InChI=1S/C6H6FN/c7-6-1-5(2-6,3-6)4-8/h1-3H2
InChIKey HLSNAVSXFGHJCR-UHFFFAOYSA-N
Literature Reference Author W.ADCOCK,A.R.KRSTIC
Literature Reference Citation MAGN.RES.CHEM.,38,115(2000)
Literature Reference DOI 10.1002/(sici)1097-458x(200002)38:2<115::aid-mrc598>3.0.co;2-9
Molecular Weight 111.119 g/mol
Solvent CDCl3
Source File Reference UWBS1522