John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HJbgv66V2dq

(accessed ).
2,6-Dimethylbenzoic acid
SpectraBase Compound ID HJbgv66V2dq
InChI InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey HCBHQDKBSKYGCK-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 156906
Solvent CDCl3 & DMSO-d6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2015-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A15014
Copyright Copyright © 2017-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2021 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 156906
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique KBr WAFER
Copyright Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A15014
Technique KBr0
Copyright Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number A15014
Copyright Copyright © 2018-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 156906
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 156906
Copyright Copyright © 2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 156906
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-885-3
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JX-2015-6-8613
Copyright Copyright © 2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 156906
Solvent CDCl3 & DMSO-d6
  • m-Xylylic acid
  • HCBHQDKBSKYGCK-UHFFFAOYSA-N
  • 2,6-DIMETHYLBENZOIC_ACID
  • Benzoic acid, 2,6-dimethyl-
  • vic-m-XYLYLIC ACID
  • 2,6-XYLYLIC ACID
Title Journal or Book Year
Oxygen-17 NMR spectroscopy: torsion angle relationships in aryl carboxylic esters, acids and amides Journal of the American Chemical Society 1987

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