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3,5-dimethyl-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
SpectraBase Compound ID 9K0QcfS6yaX
InChI InChI=1S/C36H30N4O/c1-25-22-26(2)24-30(23-25)36(41)38-33(28-18-20-37-21-19-28)32-34(27-12-6-3-7-13-27)39-40(31-16-10-5-11-17-31)35(32)29-14-8-4-9-15-29/h3-24,33H,1-2H3,(H,38,41)
InChIKey WWWURFLPLSTWLP-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C36H30N4O
Exact Mass 534.241962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dZyszwczrp
Name 3,5-dimethyl-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
Compound Number 597
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H30N4O
InChI InChI=1S/C36H30N4O/c1-25-22-26(2)24-30(23-25)36(41)38-33(28-18-20-37-21-19-28)32-34(27-12-6-3-7-13-27)39-40(31-16-10-5-11-17-31)35(32)29-14-8-4-9-15-29/h3-24,33H,1-2H3,(H,38,41)
InChIKey WWWURFLPLSTWLP-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 534.660 g/mol
Solvent DMSO-D6
Source File Reference UWVP1981