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3,5-BIS-(3'-NITROPHENYL)-4,4-DIMETHYL-4H-PYRAZOLE

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3,5-BIS-(3'-NITROPHENYL)-4,4-DIMETHYL-4H-PYRAZOLE
SpectraBase Compound ID Iep8KBXElAO
InChI InChI=1S/C17H14N4O4/c1-17(2)15(11-5-3-7-13(9-11)20(22)23)18-19-16(17)12-6-4-8-14(10-12)21(24)25/h3-10H,1-2H3
InChIKey DTROVXVAXCQXAH-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 AH5NhRsJ8F
Name 3,5-BIS-(3'-NITROPHENYL)-4,4-DIMETHYL-4H-PYRAZOLE
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(11-5-3-7-13(9-11)20(22)23)18-19-16(17)12-6-4-8-14(10-12)21(24)25/h3-10H,1-2H3
InChIKey DTROVXVAXCQXAH-UHFFFAOYSA-N
Literature Reference Author W.M.NAU,H.M.HARRER,W.ADAM
Literature Reference Citation J.AM.CHEM.SOC.,116,10972(1994)
Literature Reference DOI 10.1021/ja00103a012
Molecular Weight 338.323 g/mol
Solvent CDCl3
Source File Reference UWSI314