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4,4-DIMETHYL-3-(4'-METHOXYPHENYL)-5-(4''-NITROPHENYL)-4H-PYRAZOLE
SpectraBase Compound ID LNFckls5n72
InChI InChI=1S/C18H17N3O3/c1-18(2)16(12-4-8-14(9-5-12)21(22)23)19-20-17(18)13-6-10-15(24-3)11-7-13/h4-11H,1-3H3
InChIKey PYPFABFPTJBVQR-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C18H17N3O3
Exact Mass 323.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J33fMz9se7W
Name 4,4-DIMETHYL-3-(4'-METHOXYPHENYL)-5-(4''-NITROPHENYL)-4H-PYRAZOLE
Compound Number 6I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O3
InChI InChI=1S/C18H17N3O3/c1-18(2)16(12-4-8-14(9-5-12)21(22)23)19-20-17(18)13-6-10-15(24-3)11-7-13/h4-11H,1-3H3
InChIKey PYPFABFPTJBVQR-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 323.351 g/mol
Solvent CDCl3
Source File Reference UWCP6916