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3-Nitrobenzotrifluoride
SpectraBase Compound ID 4POoVdM8LGP
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H
InChIKey WHNAMGUAXHGCHH-UHFFFAOYSA-N
Mol Weight 191.11 g/mol
Molecular Formula C7H4F3NO2
Exact Mass 191.019413 g/mol
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent CDCl3; Reference=TMS; Temperature 297K
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MAUMEE CHEMICAL COMPANY, TOLEDO, OHIO
Solvent CCl4
Copyright Copyright © 2021-2024 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 153079
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Hooker Chemical Corporation
Technique BETWEEN SALTS
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MAUMEE CHEMICAL COMPANY, TOLEDO, OHIO
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 153079
Technique Neat
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 153079
Technique Neat
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C6D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2021-2024 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 153079
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CCl4 carbon tetrachl
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number 153079
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 153079
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2021-2024 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 153079
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W6-14534-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RB-1982-15135-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SO-0-1354-4
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 153079
  • 1-Nitro-3-(trifluoromethyl)benzene
  • m-NITRO-alpha,alpha,alpha-TRIFLUOROTOLUENE
  • TOLUENE, M-NITRO-A,A,A-TRIFLUORO-,
  • 3-Trifluoro-methyl-nitrobenzene
  • WHNAMGUAXHGCHH-UHFFFAOYSA-N
  • 3-NITROBENZOTRIFLUORID
  • 1-NITRO-3-(TRIFLUORMETHYL)-BENZENE
  • m-NITROBENZOTRIFLUORIDE
  • Benzene, 1-nitro-3-(trifluoromethyl)-
  • META-TRIFLUOROMETHYLNITROBENZENE
  • 3-Nitro-alpha,alpha,alpha-trifluorotoluene
Title Journal or Book Year
Substituent effects on nitrogen-15 and oxygen-17 chemical shifts in nitrobenzenes: correlations with electron densities The Journal of Organic Chemistry 1983
Carbon-13-fluorine-19 coupling constants in benzotrifluorides Organic Magnetic Resonance 1977

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