Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=3KpqxKPYbC8
http://spectrabase.com/compound/3KpqxKPYbC8 (accessed Feb 24, 2020).

Benzoic acid
SpectraBase Compound ID 3KpqxKPYbC8
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Mol Weight 122.12 g/mol
Molecular Formula C7H6O2
Exact Mass 122.03678 g/mol
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Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, Polymer Products Division
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, St. Louis, Missouri
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Akron Chemical Company, Akron , Ohio
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample The C.P. Hall Company
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, St. Louis, Missouri
Technique KBr WAFER
Copyright Copyright © 2009-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Supelco, Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number 47849
Copyright Copyright © 1991-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, Organic Chemicals Division, St. Louis, Missouri
Solvent CDCl3; Reference=TMS; Temperature 297K
Copyright Copyright © 2006-2018 Bio-Rad Laboratories, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. All Rights Reserved.
Copyright Copyright © 2009-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, St. Louis, Missouri
Solvent CCl4
Copyright Copyright © 2006-2018 Bio-Rad Laboratories, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. All Rights Reserved.
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3:CCl4
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent H2O
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CF3COOH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETANHYDRIDE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3CN
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company, Polymer Products Division
Copyright Copyright © 2015-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Supelco, Sigma-Aldrich Company Llc.
Source of Spectrum Forensic Spectral Research
Catalog Number 47849
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2018 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Monsanto Company
  • Benzenecarboxylic acid
  • Carboxybenzene
  • Dracylic acid
  • Phenylmethanoic acid
  • PHENYLFORMIC ACID
  • BENZOESAEURE
  • BENZOIC_ACID
  • WPYMKLBDIGXBTP-UHFFFAOYSA-N
  • BEZOIC-ACID
  • RETARDEX
  • RETARDER BA
  • BENZOIC ACID U.S.P.
  • PHENYLCARBOXYLIC ACID
  • BENZENEFORMIC ACID
  • BENZENEMETHANOIC ACID
  • TENN-PLAS
Title Journal or Book Year
Seed Germination-Influencing Bioactive Secondary Metabolites Secreted by the Endophyte Cladosporium cladosporioides LWL5 Molecules 2013
Conformation and Steric Effects in Mono- and Dimethoxybenzoic Acids The Journal of Organic Chemistry 1999
207Pb, 13C and 1H Nuclear Magnetic Resonance Studies of LeadIV Carboxylates in Solution Magnetic Resonance in Chemistry 1997
17O NMR Spectra of Carbonyl Compounds ArCOX: Influence of Groups X on the Polarity of the Carbonyl Group Magnetic Resonance in Chemistry 1997
Experimental and Theoretical Study of the Ethoxy Group Conformational Effect on 13C Chemical Shifts in Ortho-Substituted Phenetols Magnetic Resonance in Chemistry 1997
17O-NMR-Spektroskopie von Benzoylverbindungen YC6H4 COX: Empfindlichkeit auf Substituenteneinflüsse als Maß für den Elektronenmangel an der Carbonylgruppe Angewandte Chemie 1990
Oxygen-17 NMR spectroscopy: torsion angle relationships in aryl carboxylic esters, acids and amides Journal of the American Chemical Society 1987
17O-NMR Spectra of Cyclopropenones and Tropone. Oxygen Exchange with Water Helvetica Chimica Acta 1987
Action of two strains of Streptomyces on aromatic substrates. Agricultural and Biological Chemistry 1986
Oxygen-17 NMR Spectroscopy: Effect of Substituents on Chemical Shifts for o−m−p−Substituted Benzoic Acids, Phenylacetic and Methyl Benzoates Spectroscopy Letters 1986
17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates Organic Magnetic Resonance 1984
Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. III. Correlation of13C N.M.R. spectra ofparasubstituted 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
13C substituent effects in monosubstituted benzenes Organic Magnetic Resonance 1979