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4,5-DIHYDRO-5-HYDROXY-4,4-DIMETHYL-3,5-BIS-(4'-NITROPHENYL)-PYRAZOLE
SpectraBase Compound ID MWAnNdNIsu
InChI InChI=1S/C17H16N4O5/c1-16(2)15(11-3-7-13(8-4-11)20(23)24)18-19-17(16,22)12-5-9-14(10-6-12)21(25)26/h3-10,19,22H,1-2H3
InChIKey VHGGHASCGYEAIT-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C17H16N4O5
Exact Mass 356.11207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXMcyvk71t9
Name 4,5-DIHYDRO-5-HYDROXY-4,4-DIMETHYL-3,5-BIS-(4'-NITROPHENYL)-PYRAZOLE
Compound Number 6H*H2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N4O5
InChI InChI=1S/C17H16N4O5/c1-16(2)15(11-3-7-13(8-4-11)20(23)24)18-19-17(16,22)12-5-9-14(10-6-12)21(25)26/h3-10,19,22H,1-2H3
InChIKey VHGGHASCGYEAIT-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 356.338 g/mol
Solvent ACETONE-D6
Source File Reference UWCP6914