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Benzonitrile
SpectraBase Compound ID EiNAV8sqas4
InChI InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey JFDZBHWFFUWGJE-UHFFFAOYSA-N
Mol Weight 103.12 g/mol
Molecular Formula C7H5N
Exact Mass 103.042199 g/mol
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent CDCl3; Reference=TMS; Temperature 297K
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Solvent CCl4
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154636
Solvent CDCl3
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Source of Sample Riedel de Haen AG, Seelze
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Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154636
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 154636
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Source of Sample Merck-Schuchardt Hohenbrunn
Technique Cell
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Source of Sample Merck
Technique Layer between KBr
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Source of Sample Matheson Gas Products
Technique NEAT
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Source of Sample Velsicol Chemical Corporation
Technique BETWEEN SALTS
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique CAPILLARY CELL: NEAT
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Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number B8959
Technique Neat
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO
Technique CAPILLARY CELL: 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
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Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent CDCL3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent C3D6O acetone-d6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent C2H4Cl2 dichloroetha
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3 chloroform-d
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent Neat liquid
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Solvent Benzene-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Mixture
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Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
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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 NEAT
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 CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3CN
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 © 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 154636
Solvent CDCl3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample Metabolite of Phoxim
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Copyright © 2016-2025  John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Metabolite of Phoxim
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-291-3
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Source of Spectrum HE-1982-0-0
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Source of Spectrum PG-1982-1825-0
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Source of Spectrum SRH-2022-10475-0
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Source of Spectrum QB-43-SM5-1c (DOI: 10.1002/bkcs.12542)
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Source of Spectrum QE-22-SM5-4a (DOI: 10.1002/chem.201600549)
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Source of Spectrum ARK-2002-77-15a (DOI: 10.3998/ark.5550190.0003.307)
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Source of Spectrum O1-29-474-0
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Source of Spectrum Va-0-0-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KC-0-1377-18
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Source of Spectrum QF-40-368-0
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Source of Spectrum NP-16-5333-0
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Source of Spectrum JZ-1992-4084-0
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Source of Spectrum VC-1981-738-0
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Source of Spectrum WS-1986-415-0
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Source of Spectrum O-21-18-0
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Source of Spectrum JZ-1992-556-0
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Source of Spectrum LQ-1992-1179-0
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Source of Spectrum O-30-797-0
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Source of Spectrum F-68-4860-5
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Source of Spectrum QA-51-624-4a
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Source of Spectrum F-71-3799-2_7
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Source of Spectrum SRH-2022-2573-0
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Source of Spectrum SRH-2022-3545-0
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Source of Spectrum SRH-2022-8059-0
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Source of Spectrum CCC-11-SM46-BN
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Source of Spectrum U1-2020-SM12-3a
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Source of Spectrum CAJ-16-SM28-28-1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent 1,4-DIOXANE
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 DMFA
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 CH2Cl2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3NO2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3OH
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
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Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number B8959
Copyright Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company LLC
Source of Spectrum Forensic Spectral Research
Catalog Number B8959
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma Aldrich Company LLC.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number B8959
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 Sigma-Aldrich
Catalog Number 270318
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich
Catalog Number B8959
  • Phenyl cyanide
  • Cyanobenzene
  • Benzenecarbonitrile
  • Benzonitril
  • Benzoic acid nitrile
  • Fenylkyanid
  • Benzenenitrile
  • Benzene, cyano-
  • HSDB 45
  • CCRIS 3184
  • EINECS 202-855-7
  • NSC 8039
  • UN2224
  • AI3-24184
Title Journal or Book Year
13C chemical shifts in the aryl complexes PdX(p-RC6H4)(TMEDA). Is the PdX(TMEDA) fragment a substantial π-donor? Magnetic Resonance in Chemistry 1999
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
Correlation between 13C Chemical Shifts and Reactivity of Heteroaromatic Nitriles. A New Reactivity Index, g, for the Condensation Reaction with Enolate Anion of Acetone HETEROCYCLES 1982
Nitrogen-15 nuclear magnetic resonance studies of benzenediazonium ions. Effects of solvent, substituent, anion, and 18-crown-6 The Journal of Organic Chemistry 1982
13C substituent effects in monosubstituted benzenes Organic Magnetic Resonance 1979
10.1002/(sici)1097-458x(199706)35:6<351::aid-omr6>3.3.co;2-k "" ""

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