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1-phenylpyrazole-3,4-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID B84Di3CslyZ
InChI InChI=1S/C13H12N2O4/c1-18-12(16)10-8-15(9-6-4-3-5-7-9)14-11(10)13(17)19-2/h3-8H,1-2H3
InChIKey VABYYEHSSHPDRI-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C13H12N2O4
Exact Mass 260.079707 g/mol
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample L. Bauer, University of Illinois, Medical Center, Chicago, Illinois
Technique KBr WAFER
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 CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample L. Bauer, University of Illinois, Medical Center, Chicago, Illinois
Solvent CDCl3
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum QF-45-1421-14
  • Pyrazole-3,4-dicarboxylic acid, 1-phenyl-, dimethyl ester
  • VABYYEHSSHPDRI-UHFFFAOYSA-N
  • Dimethyl 1-phenyl-pyrazole-3,4-dicarboxylate
  • 1H-Pyrazole-3,4-dicarboxylic acid, 1-phenyl-, dimethyl ester
Title Journal or Book Year
DFT-Based Quantitative Prediction of Regioselectivity:  Cycloaddition of Nitrilimines to Methyl Propiolate The Journal of Organic Chemistry 2001
13C NMR of pyrazoles Magnetic Resonance in Chemistry 1993

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