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3-Nitroaniline
SpectraBase Compound ID FCkchS6Wu0t
InChI InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
InChIKey XJCVRTZCHMZPBD-UHFFFAOYSA-N
Mol Weight 138.13 g/mol
Molecular Formula C6H6N2O2
Exact Mass 138.042927 g/mol
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Solvent CDCl3; Reference=TMS; Temperature 297K
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 N9829
Solvent CDCl3
Copyright Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Sample Merck-Schuchardt Hohenbrunn
Technique KBr-Pellet
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Allied Corporation
Technique KBr WAFER
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique KBr WAFER
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 N9829
Technique Mull
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
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 © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-213-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-10811-0
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 CK-5-330-129
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-67-1975-2k
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum UB-0-44-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-68-1719-19
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DS
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
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3/DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent C2D6SO dimethylsulfo
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
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3/DMSO-D6
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
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3/DMSO-D6
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
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3/DMSO-D6
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
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3/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 N9829
Solvent CDCl3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO
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 © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
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 N9829
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Technique Q-TOF
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 N9829
  • 3-Nitrobenzenamine
  • 3-Aminonitrobenzene
  • meta-nitro aniline
  • XJCVRTZCHMZPBD-UHFFFAOYSA-N
  • m-Nitroaniline
  • Aniline, m-nitro-
  • Benzenamine, 3-nitro-
  • 1-Amino-3-nitrobenzene
  • 3-Nitroanilin
  • Azobase MNA
  • Fast Orange MM Base
  • Fast Orange Base R
  • Fast Orange M Base
  • Fast Orange R Base
  • Fast Orange R Salt
  • Orange Base Irga I
  • Daito Orange Base R
  • Devol Orange R
  • Diazo Fast Orange R
  • Amarthol Fast Orange R Base
  • Hiltonil Fast Orange R Base
  • C.I. Azoic Diazo Component 7
  • Naphtoelan Orange R Base
  • Nitranilin
  • m-Nitraniline
  • Nitroaniline, 3-
  • m-Nitrophenylamine
  • m-Aminonitrobenzene
  • m-Nitroaminobenzene
  • 3-Nitrobenzeneamine
  • (3-Nitrophenyl)amine
  • CCRIS 2318
  • HSDB 2570
  • EINECS 202-729-1
  • NSC 9574
  • CI 37030
  • AI3-52474
  • MNA
Title Journal or Book Year
A robust method for determining1H-15N long-range correlations:15N optimized CIGAR-HMBC experiments Magnetic Resonance in Chemistry 2003
15N NMR: Substituent effect analysis inpara-andmeta-substituted phenylhydrazines Magnetic Resonance in Chemistry 1994
Substituent effects on nitrogen-15 and oxygen-17 chemical shifts in nitrobenzenes: correlations with electron densities The Journal of Organic Chemistry 1983

This compound is available in the following databases:

Wiley Registry of Tandem Mass Spectral Data: MS for ID

Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria

The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries

Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Wiley Registry of Mass Spectral Data 2023

Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Unknown Identification

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KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.