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2-[3,4-dimethyl-5-(4-nitrophenyl)pyrazol-1-yl]-1,2-di(phenyl)ethanone
SpectraBase Compound ID 7Jy2g8Ssy1P
InChI InChI=1S/C25H21N3O3/c1-17-18(2)26-27(23(17)20-13-15-22(16-14-20)28(30)31)24(19-9-5-3-6-10-19)25(29)21-11-7-4-8-12-21/h3-16,24H,1-2H3
InChIKey JLBHRWWUDKJXDP-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C25H21N3O3
Exact Mass 411.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxrxMB2PbM7
Name 2-[3,4-dimethyl-5-(4-nitrophenyl)pyrazol-1-yl]-1,2-di(phenyl)ethanone
Compound Number 756
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H21N3O3
InChI InChI=1S/C25H21N3O3/c1-17-18(2)26-27(23(17)20-13-15-22(16-14-20)28(30)31)24(19-9-5-3-6-10-19)25(29)21-11-7-4-8-12-21/h3-16,24H,1-2H3
InChIKey JLBHRWWUDKJXDP-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 411.460 g/mol
Solvent CDCl3
Source File Reference UWVP1423