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KZUDXHHQLGTOHX-DUVWQUSQSA-L
SpectraBase Compound ID 82STLnKCa0q
InChI InChI=1S/C40H40N4O7.Ni/c1-50-34-21-11-9-17-29(34)31(25-35(45)44-23-24-51-40(44)49)37(39(47)48)42-36(28-15-6-3-7-16-28)30-18-8-10-19-32(30)41-38(46)33-20-12-22-43(33)26-27-13-4-2-5-14-27;/h2-11,13-19,21,31,33,37H,12,20,22-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t31-,33-,37+;/m0./s1
InChIKey KZUDXHHQLGTOHX-DUVWQUSQSA-L
Mol Weight 745.5 g/mol
Molecular Formula C40H38N4NiO7
Exact Mass 744.209392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oVtzaX1wor
Name KZUDXHHQLGTOHX-DUVWQUSQSA-L
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38N4NiO7
InChI InChI=1S/C40H40N4O7.Ni/c1-50-34-21-11-9-17-29(34)31(25-35(45)44-23-24-51-40(44)49)37(39(47)48)42-36(28-15-6-3-7-16-28)30-18-8-10-19-32(30)41-38(46)33-20-12-22-43(33)26-27-13-4-2-5-14-27;/h2-11,13-19,21,31,33,37H,12,20,22-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t31-,33-,37+;/m0./s1
InChIKey KZUDXHHQLGTOHX-DUVWQUSQSA-L
Literature Reference Author C.CAI,V.A.SOLOSHONOK,V.J.HRUBY
Literature Reference Citation J.ORG.CHEM.,66,1339(2001)
Literature Reference DOI 10.1021/jo0014865
Molecular Weight 745.454 g/mol
Solvent CDCl3
Source File Reference UWMS25867