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1-Methylpyrrole
SpectraBase Compound ID KJEGxXSOSTM
InChI InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey OXHNLMTVIGZXSG-UHFFFAOYSA-N
Mol Weight 81.12 g/mol
Molecular Formula C5H7N
Exact Mass 81.057849 g/mol
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Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number M0414
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Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number M0414
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Source of Sample Aldrich
Catalog Number M78801
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Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number M0414
Technique Neat
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W509973
Technique Between salts
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Source of Sample Aldrich
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Catalog Number M78801
Technique Neat
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Source of Spectrum Prof. Buback, University of Goettingen, Germany
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Source of Spectrum Prof. Buback, University of Goettingen, Germany
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample SAFC Cat.no. W509973
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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Source of Spectrum AA-0-109-4
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Source of Spectrum A-0-0-24
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Source of Spectrum XW-353-0-0
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Source of Spectrum SRH-2022-1626-0
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Source of Spectrum O1-46-1039-a
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Source of Spectrum PR-1088-0-0
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Source of Spectrum EP-3038-0-0
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Source of Spectrum VC-1981-955-0
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Source of Spectrum AA-0-109-3
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Source of Spectrum JZ-1992-4301-0
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Source of Spectrum JZ-1992-212-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CRT-18-345-4X
Copyright Copyright © 1980, 1981-2024 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
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Solvent CDCL3
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Solvent Hexane
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Solvent Benzene
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Solvent DMSO-D6
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Solvent CH2Cl2
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Solvent not reported
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Solvent CH2Cl2
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Solvent CDCl3
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Solvent not reported
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CH2Cl2
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Solvent CDCl3
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Solvent Dioxane
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Solvent DMSO-D6
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Solvent CH2Cl2
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CH2Cl2
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Solvent not reported
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Solvent Dioxane
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Solvent Neat liquid
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Solvent CDCl3
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Solvent Neat liquid
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Solvent not reported
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Solvent CDCl3
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Solvent ACETONE-D6
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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 M78801
Solvent CDCl3
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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 M78801
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3;CR(ACAC)3
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Solvent DMSO;CR(ACAC)3
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Solvent DMSO;CR(ACAC)3=0.01M
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Solvent CDCl3
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Solvent NEAT
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Solvent ACETONE
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Solvent CDCl3
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Solvent CDCl3
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Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
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 M78801
  • 1-Methyl-1H-pyrrole
  • 1-METHYLPYRROL
  • OXHNLMTVIGZXSG-UHFFFAOYSA-N
  • N-METHYL-PYRROL
  • n-Methylpyrrole
  • PYRROLE, 1-METHYL-,
  • 1H-Pyrrole, 1-methyl-
  • Pyrrole <methyl->
Title Journal or Book Year
On the accuracy of the GIAO‐DFT calculation of 15N NMR chemical shifts of the nitrogen‐containing heterocycles – a gateway to better agreement with experiment at lower computational cost Magnetic Resonance in Chemistry 2014
NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data Magnetic Resonance in Chemistry 1999
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
Determination of corticoids using pyrrole. V Studies on the colored products. Chemical and Pharmaceutical Bulletin 1987
Acidity measurements in THF. V. Heteroaromatic compounds containing 5-membered rings Canadian Journal of Chemistry 1985
A 15N NMR study of some azoles Organic Magnetic Resonance 1984
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982
Carbon-13 magnetic resonance studies of azoles. Tautomerism, shift reagent effects, and solvent effects The Journal of Organic Chemistry 1974
Carbon-13 nuclear magnetic resonance spectra of some substituted pyrroles Journal of the Chemical Society, Perkin Transactions 2 1974

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