Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=5VuxmZiM2i9
http://spectrabase.com/compound/5VuxmZiM2i9 (accessed Jul 17, 2018).

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
Copyright Copyright © 2012-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number D18,200-1
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, 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
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPTA
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLIDSTATE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH2Cl2
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ETOH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent I-PROH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HMPA
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID-STATE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2009-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample K. Kjeldgaard, Borups Alle Apotek, Copenhagen, Denmark
Solvent CDCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3COOH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACOH;TFA=2M
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3OH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCl;PH=1.66
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent HCl;PH=2.39
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent NEAT
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent TFE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CHCl3
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CF3CH2OH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3COOH
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID_STATE
Copyright Copyright © 2013-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc
Source of Spectrum Forensic Spectral Research
Catalog Number D182001
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Source of Sample K. Kjeldgaard, Borups Alle Apotek, Copenhagen, Denmark
Technique FILM (CAST FROM CHCl3)
Copyright Copyright © 2008-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 2008-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
  • PYRAZOLE, 3,5-DIMETHYL-,
  • SDXAWLJRERMRKF-UHFFFAOYSA-N
  • 3,5-DIMETHYL-PYRAZOLE
  • 3,5-DIMETHYLPYRAZOL
  • [(N-15)2]-3,5-DIMETHYLPYRAZOLE
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