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Pyrazole
SpectraBase Compound ID CQDfFTOYAGt
InChI InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey WTKZEGDFNFYCGP-UHFFFAOYSA-N
Mol Weight 68.08 g/mol
Molecular Formula C3H4N2
Exact Mass 68.037448 g/mol
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Technique Film
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Technique Film
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Source of Sample Fluka
Technique KBr pellet
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Source of Sample Research Organic/Inorganic Corporation, Sun Valley, California
Technique CAPILLARY CELL: MELT
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Source of Sample Aldrich
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Catalog Number P56607
Technique Mull
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Source of Spectrum AD-0-2366-0
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Source of Spectrum O-3-1550-1
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Source of Spectrum O3-0-1549-0
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Source of Spectrum EP-3467-0-0
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Source of Spectrum EK-1999-8-0
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Source of Spectrum JZ-1992-65-0
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Source of Sample Pfaltz & Bauer, Inc., Waterbury, Connecticut
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent Chloroform-d
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Solvent MC
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CDCl3 chloroform-d
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent CH2Cl2
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Acetone-D6
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Solvent H2O
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Solvent ACETONE-D6
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Solvent H2O
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Solvent HMPTA
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Solvent Unknown
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Solvent SOLIDSTATE
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Solvent DMSO-D6
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Solvent Unknown
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Solvent CD2Cl2
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Solvent CH2Cl2
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Solvent ACETONE
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Solvent ACETONE
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Solvent ACETONE
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Solvent DMSO-D6
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Solvent DMSO-D6
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Solvent HMPA
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Solvent CDCl3
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Solvent SOLID-STATE
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Solvent CDCl3
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Solvent DMSO-D6
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Catalog Number P56607
Solvent CDCl3
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Solvent DMSO-d6
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Catalog Number P56607
Solvent CDCl3
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CHCl3
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Solvent TFA
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Solvent Unknown
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Solvent CDCl3;CR(ACAC)3
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Solvent CHCl3
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Solvent DMSO
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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 HCl;PH=0.45
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Solvent HCl;PH=0.45
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Solvent HCl;PH=0.95
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Solvent HCl;PH=1.10
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Solvent HCl;PH=3.43
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Solvent CH3OH
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Solvent H2O
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Solvent NEAT
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Solvent H2O
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Solvent CHCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent THF
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Solvent DMSO
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Solvent CF3CH2OH
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Solvent CH3COOH
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Solvent H2O
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Solvent TFA
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Solvent CHCl3
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent SOLID_STATE
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Solvent SOLID_STATE
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Solvent CDCl3
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Catalog Number P56607
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Source of Sample Aldrich
Catalog Number P56607
  • 1H-pyrazole
  • Pyrazol
  • WTKZEGDFNFYCGP-UHFFFAOYSA-N
  • 1,2-Diazole
Title Journal or Book Year
1H,13C and15N NMR studies on adducts formation of rhodium(II) tetraacylates with some azoles in CDCl3 solution Magnetic Resonance in Chemistry 2008
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
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
Synthesis and13C NMR study of someN-substituted 4-iodo- and 3,4-diiodopyrazoles Journal of Heterocyclic Chemistry 1995
13C NMR of pyrazoles Magnetic Resonance in Chemistry 1993
The synthesis and unimolecular decomposition of four novel Δ1-1,2,4-triazolines Canadian Journal of Chemistry 1988
High resolution 13C nuclear magnetic resonance spectra of solid pyrazoles. Application to annular tautomerism Canadian Journal of Chemistry 1988
Rearrangement of unsaturated acylhydroxybenzotriazoles The Journal of Organic Chemistry 1985
13C NMR chemical shifts ofN-unsubstituted- andN-methyl-pyrazole derivatives Organic Magnetic Resonance 1984
15N-NMR Spectra of Azoles with Two Heteroatoms Helvetica Chimica Acta 1983
Some INDO/SSOS calculations of the effects of hydrogen bonding on the nitrogen shielding of some heterocycles Organic Magnetic Resonance 1983
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982
Nitrogen-15 nuclear magnetic resonance spectroscopy. Effects of hydrogen bonding and protonation on nitrogen chemical shifts of pyrazoles The Journal of Organic Chemistry 1979
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
Etudes d'Hétérocycles Pentagonaux Polyhétéroatomiques par RMN du13C. Effets de Substituant, de la Benzocondensation et Etude de la Tautomèrie Prototropique en Série Benzothiazolique Organic Magnetic Resonance 1978
Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of five-membered aromatic heterocycles Journal of the American Chemical Society 1968
Carbon-13 magnetic resonance. XII. Five-membered nitrogen heterocycles and their charged species Journal of the American Chemical Society 1968

This compound is available in the following databases:

KnowItAll NMR Spectral Library

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KnowItAll IR, Raman, and UV-Vis Spectral Libraries

Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.