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Fluorobenzene
SpectraBase Compound ID 2ineg1r50AS
InChI InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChIKey PYLWMHQQBFSUBP-UHFFFAOYSA-N
Mol Weight 96.1 g/mol
Molecular Formula C6H5F
Exact Mass 96.037528 g/mol
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number F6001
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Sample Ega-Chemie GmbH & Co KG, Steinheim
Technique Film
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Sample Fluka
Technique Layer between KBr
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample CHEM SERVICE, INC., WEST CHESTER, PENNSYLVANIA
Technique NEAT
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Pierce Chemical Company, Rockford, Illinois
Technique CELL: 0.015MM
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number F6001
Technique Neat
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HE-1982-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-204-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-443-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-6798-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum IC-37-0-0
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. Merck AG, Darmstadt, Germany
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CD
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3 chloroform-d
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Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CS2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CS2:ACETONE=70:13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent NEAT
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CYClOHEXANE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CCl4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TOLUENE-D8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number F6001
Solvent CDCl3
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CCl4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number F6001
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CCl4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent N-HEXANE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TOLUENE-D8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CHCl3 chloroform
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent C2H4Cl2 dichloroetha
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CCl4 carbon tetrachl
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Solvent not reported
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Solvent not reported
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3 chloroform-d
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CCl4 carbon tetrachl
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Solvent C2D6SO dimethylsulfo
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number F6001
  • Phenyl fluoride
  • Fluorbenzol
  • PYLWMHQQBFSUBP-UHFFFAOYSA-N
  • Benzene, fluoro-
  • Fluorobenzenes
  • Fluoranylbenzene
  • Monofluorobenzene
  • EINECS 207-321-7
  • NSC 68416
  • UN2387
  • AI3-28560
Title Journal or Book Year
Nitrogen-15 NMR Studies on Hydrazines. 2— Substituent Effect Analysis inortho-Substituted Phenylhydrazines and Anilines Magnetic Resonance in Chemistry 1996
Interactions between amines and aromatic fluoro derivatives. 19F NMR Investigation in [2H8]toluene Journal of the Chemical Society, Perkin Transactions 2 1995
15N NMR: Substituent effect analysis inpara-andmeta-substituted phenylhydrazines Magnetic Resonance in Chemistry 1994
Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. III. Correlation of 13C N.M.R. spectra of para substituted acetanilides and 4'-nitrophenyl 4-substituted benzoates with infrared carbonyl stretching frequencies, 1H N.M.R., rate and equilibrium data Australian Journal of Chemistry 1984
Nature of substituent effects in nuclear magnetic resonance spectroscopy. 2. Factor analysis of carbon-13 chemical shifts in unsaturated and aromatic halides The Journal of Organic Chemistry 1981
New method for selective monofluorination of aromatics using silver difluoride The Journal of Organic Chemistry 1980
Nuclear magnetic resonance studies of some 1-methyl, 1-phenyl, and 1-cyclopropyl-1-(2-naphthyl)ethyl carbonium ions The Journal of Organic Chemistry 1979
13C substituent effects in monosubstituted benzenes Organic Magnetic Resonance 1979
A13C{1H} double resonance study of the signs of1H19F and13C19F spin coupling constants in fluorobenzenes and 2-fluoropyridine Organic Magnetic Resonance 1979
13C19F spin-spin coupling in some monofluoro-substituted polycyclic aromatic hydrocarbons Organic Magnetic Resonance 1977
Fluorine-19 nuclear magnetic resonance studies of nitrogen-substituted fluorobenzenes The Journal of Organic Chemistry 1976
13C nuclear magnetic resonance studies of some fluorinated and trifluoromethylated aromatic compounds. Studies on13C–19F coupling constants J. Chem. Soc., Perkin Trans. 2 1976

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