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4-Nitrophenol
SpectraBase Compound ID FglNetENPJn
InChI InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKey BTJIUGUIPKRLHP-UHFFFAOYSA-N
Mol Weight 139.11 g/mol
Molecular Formula C6H5NO3
Exact Mass 139.026943 g/mol
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Technique FILM (CAST FROM CHLOROFORM)
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Source of Sample Riedel-De Haen AG
Technique KBr WAFER
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Source of Sample E. Merck AG, Darmstadt
Technique KBr-Pellet
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Source of Sample Fluka
Technique KBr pellet
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Source of Sample The Matheson Company, Inc.
Technique KBr WAFER
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique KBr WAFER
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Source of Sample FLUKA CHEMIE AG, BUCHS, SWITZERLAND
Technique KBr WAFER
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Source of Sample Aldrich
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Catalog Number 241326
Technique Mull
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Technique GC/MS
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
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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 Sample Sigma-Aldrich Cat. #35836
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum Dr. Rolf Kuehnle
Technique GC/MS
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Source of Sample Sigma-Aldrich Cat. #35836
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum SRH-2022-217-0
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Source of Spectrum SRH-2022-9524-0
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Source of Spectrum PG-1982-1444-0
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Source of Spectrum A-1-299-1
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Source of Spectrum SRH-2022-225-0
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Source of Spectrum SRH-2022-2916-0
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Source of Spectrum SRH-2022-8237-0
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Source of Spectrum SRH-2022-10794-0
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Source of Spectrum AD-0-5831-0
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Source of Spectrum EP-0-389-0
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Source of Spectrum AD-0-172-0
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Source of Spectrum W5-5332-0-0
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Source of Spectrum WS-1986-231-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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Source of Spectrum CRT-17-372-N-4
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Source of Spectrum QA-52-585-1b
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Source of Spectrum J-80-7881-3m
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Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Solvent Polysol; Reference=Dioxane Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent DMSO
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3/DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3/DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3/DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3/DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Solvent D2O
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Solvent CDCl3/DMSO-D6
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Solvent DMSO-D6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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Solvent DMSO-D6
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Solvent ACETONE-D6
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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 241326
Solvent CDCl3 & DMSO-d6
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Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Solvent Acetone
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 241326
Solvent CDCl3 & DMSO-d6
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Technique HCD
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Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Technique HCD
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Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Technique HCD
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3CN
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Solvent Methanol
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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 130230
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 241326
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 425753
  • p-Nitrophenol
  • PHENOL, P-NITRO-,
  • 4-Hydroxynitrobenzene
  • BTJIUGUIPKRLHP-UHFFFAOYSA-N
  • 4-NITRO-PHENOLE
  • 4-NITROPHENOL PESTANAL
  • p-Hydroxynitrobenzene
  • 1-Hydroxy-4-nitrobenzene
  • Phenol, 4-nitro-
  • Para-nitrophenol
  • p-Hydroxy Nitrobenzen
  • 4-Nitrophenol_neg ##
  • Parathion-ethyl-M (4-nitrophenol)_neg ##
  • Parathion-methyl-M (4-nitrophenol)_neg ##
  • 4-Nitrophenol @
  • NITROPHENOL
  • Niphen
  • 4-Nitrofenol
  • p-Nitrofenol
  • Paranitrofenol
  • Mononitrophenol
  • Paranitrofenolo
  • EPA PESTICIDE CHEMICAL CODE 056301
  • RCRA WASTE NO. U170
  • CASWELL NO. 603
  • CCRIS 2316
  • HSDB 1157
  • NCI-C55992
  • EINECS 202-811-7
  • NSC 1317
  • UN1663
  • AI3-04856
  • Parathion-ethyl-M (4-nitrophenol)
  • Parathion-methyl-M (4-nitrophenol)
  • para-hydroxy nitrobenzene
  • PNP
Title Journal or Book Year
Synthesis and NMR spectroscopy of stable isotope-labelled phenols and L-tyrosines Recueil des Travaux Chimiques des Pays-Bas 2010
Structure of Potassium Carbonate Complexes with Phenols and Thiophenols in Aproyic Dipolar Solvents Russian Journal of Organic Chemistry 2003
Substituent Effects on the N.M.R. Spectra of Carboxylic Acid Derivatives. IV. 13C N.M.R. Spectra of para-Substituted Phenols, Phenylureas and Phenyl Propionates Australian Journal of Chemistry 1987
Substituent effects on nitrogen-15 and oxygen-17 chemical shifts in nitrobenzenes: correlations with electron densities The Journal of Organic Chemistry 1983
13C chemical shifts of phenol derivatives. A correlation with electronic structure Organic Magnetic Resonance 1980

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