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4,4-DIMETHYL-3,5-BIS-(4'-BROMOPHENYL)-4H-PYRAZOLE
SpectraBase Compound ID El1sklMUUMy
InChI InChI=1S/C17H14Br2N2/c1-17(2)15(11-3-7-13(18)8-4-11)20-21-16(17)12-5-9-14(19)10-6-12/h3-10H,1-2H3
InChIKey ZKUFAVODLQZZBZ-UHFFFAOYSA-N
Mol Weight 406.12 g/mol
Molecular Formula C17H14Br2N2
Exact Mass 403.952374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6F525SHYvxz
Name 4,4-DIMETHYL-3,5-BIS-(4'-BROMOPHENYL)-4H-PYRAZOLE
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14Br2N2
InChI InChI=1S/C17H14Br2N2/c1-17(2)15(11-3-7-13(18)8-4-11)20-21-16(17)12-5-9-14(19)10-6-12/h3-10H,1-2H3
InChIKey ZKUFAVODLQZZBZ-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 406.120 g/mol
Solvent CDCl3
Source File Reference UWCP6912