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4-chloro-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide

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4-chloro-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
SpectraBase Compound ID 47LmdX6o7Jl
InChI InChI=1S/C34H25ClN4O/c35-28-18-16-27(17-19-28)34(40)37-31(25-20-22-36-23-21-25)30-32(24-10-4-1-5-11-24)38-39(29-14-8-3-9-15-29)33(30)26-12-6-2-7-13-26/h1-23,31H,(H,37,40)
InChIKey OMMLAUDIKLLVAX-UHFFFAOYSA-N
Mol Weight 541.1 g/mol
Molecular Formula C34H25ClN4O
Exact Mass 540.171689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WojaV68YkL
Name 4-chloro-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
Compound Number 598
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H25ClN4O
InChI InChI=1S/C34H25ClN4O/c35-28-18-16-27(17-19-28)34(40)37-31(25-20-22-36-23-21-25)30-32(24-10-4-1-5-11-24)38-39(29-14-8-3-9-15-29)33(30)26-12-6-2-7-13-26/h1-23,31H,(H,37,40)
InChIKey OMMLAUDIKLLVAX-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 541.052 g/mol
Solvent DMSO-D6
Source File Reference UWVP1982