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4,4-DIMETHYL-3,5-BIS-(4'-NITROPHENYL)-4H-PYRAZOLE
SpectraBase Compound ID 3lqMAsVUXHz
InChI InChI=1S/C17H14N4O4/c1-17(2)15(11-3-7-13(8-4-11)20(22)23)18-19-16(17)12-5-9-14(10-6-12)21(24)25/h3-10H,1-2H3
InChIKey ZDMIATXKCVFPNR-UHFFFAOYSA-N
Mol Weight 338.32 g/mol
Molecular Formula C17H14N4O4
Exact Mass 338.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5x7D4jXGw7X
Name 4,4-DIMETHYL-3,5-BIS-(4'-NITROPHENYL)-4H-PYRAZOLE
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14N4O4
InChI InChI=1S/C17H14N4O4/c1-17(2)15(11-3-7-13(8-4-11)20(22)23)18-19-16(17)12-5-9-14(10-6-12)21(24)25/h3-10H,1-2H3
InChIKey ZDMIATXKCVFPNR-UHFFFAOYSA-N
Literature Reference Author W.ADAM,H.M.HARRER,W.M.NAU,K.PETERS
Literature Reference Citation J.ORG.CHEM.,59,3786(1994)
Literature Reference DOI 10.1021/jo00093a010
Molecular Weight 338.323 g/mol
Solvent CDCl3
Source File Reference UWCP6915