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2-methyl-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
SpectraBase Compound ID 1sOt1IXHDbo
InChI InChI=1S/C35H28N4O/c1-25-13-11-12-20-30(25)35(40)37-32(27-21-23-36-24-22-27)31-33(26-14-5-2-6-15-26)38-39(29-18-9-4-10-19-29)34(31)28-16-7-3-8-17-28/h2-24,32H,1H3,(H,37,40)
InChIKey VFORDFYGUPNTOZ-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C35H28N4O
Exact Mass 520.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APG2prDvNmf
Name 2-methyl-N-[pyridin-4-yl-[1,3,5-tri(phenyl)pyrazol-4-yl]methyl]benzamide
Compound Number 5C'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28N4O
InChI InChI=1S/C35H28N4O/c1-25-13-11-12-20-30(25)35(40)37-32(27-21-23-36-24-22-27)31-33(26-14-5-2-6-15-26)38-39(29-18-9-4-10-19-29)34(31)28-16-7-3-8-17-28/h2-24,32H,1H3,(H,37,40)
InChIKey VFORDFYGUPNTOZ-UHFFFAOYSA-N
Literature Reference Author M.F.BRANA,M.L.L.RODRIGUEZ,J.M.CASTELLANO,P.FERNANDEZ,A.GARRI DO-PERTIERRA
Literature Reference Citation J.HETCYCL.CHEM.,27,401(1990)
Literature Reference DOI 10.1002/jhet.5570270255
Molecular Weight 520.634 g/mol
Solvent DMSO-D6
Source File Reference UWCP3073