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4-BENZOYL-1,5-DIPHENYL-N-(2-[[(4-BENZOYL-1,5-DIPHENYL-1H-PYRAZOL-3-YL)-CARBONYL]-AMINO]-PYRIDIN-3-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
SpectraBase Compound ID D9xJYol8SPU
InChI InChI=1S/C51H35N7O4/c59-47(36-24-11-3-12-25-36)41-43(55-57(38-28-15-5-16-29-38)45(41)34-20-7-1-8-21-34)50(61)53-40-32-19-33-52-49(40)54-51(62)44-42(48(60)37-26-13-4-14-27-37)46(35-22-9-2-10-23-35)58(56-44)39-30-17-6-18-31-39/h1-33H,(H,53,61)(H,52,54,62)
InChIKey KXFVYPSOAAGFBR-UHFFFAOYSA-N
Mol Weight 809.9 g/mol
Molecular Formula C51H35N7O4
Exact Mass 809.275053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrJ7WUdWwul
Name 4-BENZOYL-1,5-DIPHENYL-N-(2-[[(4-BENZOYL-1,5-DIPHENYL-1H-PYRAZOL-3-YL)-CARBONYL]-AMINO]-PYRIDIN-3-YL)-1H-PYRAZOLE-3-CARBOXAMIDE
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H35N7O4
InChI InChI=1S/C51H35N7O4/c59-47(36-24-11-3-12-25-36)41-43(55-57(38-28-15-5-16-29-38)45(41)34-20-7-1-8-21-34)50(61)53-40-32-19-33-52-49(40)54-51(62)44-42(48(60)37-26-13-4-14-27-37)46(35-22-9-2-10-23-35)58(56-44)39-30-17-6-18-31-39/h1-33H,(H,53,61)(H,52,54,62)
InChIKey KXFVYPSOAAGFBR-UHFFFAOYSA-N
Literature Reference Author I.YILDIRIM,F.KANDEMIRIL,E.DEMIR
Literature Reference Citation MOLECULES,10,559(2005)
Literature Reference DOI 10.3390/10030559
Molecular Weight 809.883 g/mol
Sample ID 56958
Solvent CDCl3