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3,5-Dimethylpyrazole
SpectraBase Compound ID 5VuxmZiM2i9
InChI InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
InChIKey SDXAWLJRERMRKF-UHFFFAOYSA-N
Mol Weight 96.13 g/mol
Molecular Formula C5H8N2
Exact Mass 96.068748 g/mol
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Source of Sample Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number D18,200-1
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Source of Sample Aldrich
Catalog Number D182001
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Source of Sample Ega
Technique KBr pellet
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Technique FILM (CAST FROM CHCl3)
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Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D182001
Technique Mull
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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 PG-1982-1573-0
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Source of Spectrum A-0-0-46
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Source of Spectrum SRH-2022-466-0
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Source of Spectrum SRH-2022-10577-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum WS-1986-518-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-2368-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AA-0-207-2
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Source of Spectrum W5-0-0-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AOC-32-SM27-3q
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Solvent DMSO-d6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-d6
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Source of Sample K. Kjeldgaard, Borups Alle Apotek, Copenhagen, Denmark
Solvent CDCl3
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Solvent DMSO-d6
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D182001
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Eastman Organic Chemicals, Rochester, New York
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CH2Cl2
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent CH2Cl2
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent CH2Cl2
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent CH2Cl2
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Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
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 HMPTA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
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Solvent SOLIDSTATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH2Cl2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ETOH
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Solvent I-PROH
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Solvent DMSO-D6
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Solvent HMPA
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Solvent SOLID-STATE
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Solvent CDCl3
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Solvent DMSO-D6
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 D182001
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
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Solvent TFE
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Solvent CH3COOH
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Solvent ACOH;TFA=2M
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Solvent CH3OH
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Solvent HCl;PH=1.66
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Solvent HCl;PH=2.39
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Solvent NEAT
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Solvent TFE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CF3CH2OH
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Solvent CH3COOH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE
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Source of Sample Sigma-Aldrich Company Llc
Source of Spectrum Forensic Spectral Research
Catalog Number D182001
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number D182001
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Solvent Methanol
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Solvent Methanol
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Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D182001
  • PYRAZOLE, 3,5-DIMETHYL-,
  • SDXAWLJRERMRKF-UHFFFAOYSA-N
  • 3,5-DIMETHYLPYRAZOL
  • [(N-15)2]-3,5-DIMETHYLPYRAZOLE
  • 1H-pyrazole, 3,5-dimethyl-
  • 3,5-dimethyl-1H-pyrazole
  • 3,5-dimethyl-pyrazine
Title Journal or Book Year
A robust method for determining1H-15N long-range correlations:15N optimized CIGAR-HMBC experiments Magnetic Resonance in Chemistry 2003
Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography Journal of the Chemical Society, Perkin Transactions 2 1997
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
Multinuclear Magnetic Resonance (1H,11B,13C,15N and205Tl) Study of Thallium Hydridotris(3,5-dimethylpyrazol-1-yl)borate Magnetic Resonance in Chemistry 1996
N-o-chlorophenylsulfonylcarbamoyl derivatives of pyrazoles, pyrazolines, and imidazole Chemistry of Heterocyclic Compounds 1994
13C NMR of pyrazoles Magnetic Resonance in Chemistry 1993
High resolution 13C nuclear magnetic resonance spectra of solid pyrazoles. Application to annular tautomerism Canadian Journal of Chemistry 1988
15N and13C NMR spectroscopy of 1,2,6-thiadiazine 1,1-dioxide derivatives and fused systems Magnetic Resonance in Chemistry 1986
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
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

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