John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=58dxgADBA2r

(accessed ).

3-Methylpyrazole

Compound with open access spectra: 75 NMR, 5 FTIR, 3 UV-Vis, and 13 MS

3-Methylpyrazole
SpectraBase Compound ID 58dxgADBA2r
InChI InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKey XKVUYEYANWFIJX-UHFFFAOYSA-N
Mol Weight 82.11 g/mol
Molecular Formula C4H6N2
Exact Mass 82.053098 g/mol

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample Ega
Technique layer between KBr

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FTIR Spectrum
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 M75802
Technique Neat

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MS Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-111-4

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MS Spectrum
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Source of Spectrum PR-1506-0-0

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum VC-1981-846-0

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MS Spectrum
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MS Spectrum
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Source of Spectrum AD-0-2367-0

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-7507-1

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MS Spectrum
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Source of Spectrum LQ-1992-2123-0

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-2532-0

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MS Spectrum
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Source of Spectrum AD-0-315-0

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-4192-0

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MS Spectrum
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-217-0

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13C NMR Spectrum
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

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13C NMR Spectrum
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13C NMR Spectrum
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Solvent CH2Cl2

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13C NMR Spectrum
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13C NMR Spectrum
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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
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Solvent CDCl3

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13C NMR Spectrum
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Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CH2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
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Solvent CH2Cl2

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13C NMR Spectrum
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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CH2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CH2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CH2Cl2

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPTA

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPTA

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH2Cl2

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPA

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPA

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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1H NMR Spectrum
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Solvent CDCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFA

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCl:DCl=2:1

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFE

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3COOH

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACOH;TFA=2M

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3OH

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCl;PH=0.6

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCl;PH=1.66

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent NEAT

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFE

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CF3CH2OH

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3COOH

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFA

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE

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UV-Vis Spectrum
Copyright Copyright © 2008-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

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UV-Vis Spectrum
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Solvent Methanol

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UV-Vis Spectrum
Copyright Copyright © 2008-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.

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Vapor Phase IR Spectrum
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 M75802

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ATR-IR Spectrum
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 M75802
  • 3(or 5)-methylpyrazole
  • XKVUYEYANWFIJX-UHFFFAOYSA-N
  • 5-Methyl-pyrazole
  • 3-METHYLPYRAZOL
  • 5-METHYLPYRAZOL
  • 3(5)-METHYL-PYRAZOLE
  • PYRAZOLE, 3/OR 5/-METHYL-,
  • 1H-Pyrazole, 3-methyl-
3-METHYLPYRAZOLE-HCL-SALT
3-Methylpyridazine
4-METHYL-v-TRIAZINE
5-Vinyl-pyrazole
3,5-Dimethylpyrazole
3,5-DIMETHYLPYRAZOLE-HCL-SALT
3-Amino-2-pyrazolium cation
3,6-DIMETHYLPYRIDAZINE
3-Chloro-pyrazolium cation
4-Methylpyrazole
Title Journal or Book Year
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
13C NMR of pyrazoles Magnetic Resonance in Chemistry 1993
13C NMR chemical shifts ofN-unsubstituted- andN-methyl-pyrazole derivatives Organic Magnetic Resonance 1984
Some INDO/SSOS calculations of the effects of hydrogen bonding on the nitrogen shielding of some heterocycles Organic Magnetic Resonance 1983
15N-NMR Spectra of Azoles with Two Heteroatoms Helvetica Chimica Acta 1983
Etude en Résonance Magnétique Nucléaire du Carbone-13 de Quelques Aminopyrazoles. Sur le Problème de la Détermination des Constantes d'Equilibre Tautomère Organic Magnetic Resonance 1979
Nitrogen-15 nuclear magnetic resonance spectroscopy. Effects of hydrogen bonding and protonation on nitrogen chemical shifts of pyrazoles The Journal of Organic Chemistry 1979
10.1002/(sici)1097-458x(199802)36:2<110::aid-omr224>3.3.co;2-6 "" ""
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