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3-Methyl-5-(4-nitrophenyl)-1-phenyl-pyrazole
SpectraBase Compound ID A3JDoelGFr7
InChI InChI=1S/C16H13N3O2/c1-12-11-16(13-7-9-15(10-8-13)19(20)21)18(17-12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey XDNLGHMVSAIZCV-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNlcCZRUPjd
Name 3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole
Compound Number 612
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-12-11-16(13-7-9-15(10-8-13)19(20)21)18(17-12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey XDNLGHMVSAIZCV-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 279.298 g/mol
Solvent DMSO-D6
Source File Reference UWVP1999