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NICKEL-(II)-6,11,16,21-TETRAPHENYL-META-BENZIPORPHYRIN

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NICKEL-(II)-6,11,16,21-TETRAPHENYL-META-BENZIPORPHYRIN
SpectraBase Compound ID HFaEchxgN5c
InChI InChI=1S/C46H29N3.Ni/c1-5-14-31(15-6-1)43-35-22-13-23-36(30-35)44(32-16-7-2-8-17-32)38-25-27-40(48-38)46(34-20-11-4-12-21-34)42-29-28-41(49-42)45(33-18-9-3-10-19-33)39-26-24-37(43)47-39;/h1-29H;/q-1;+1/b43-37-,44-38-,45-41-,46-42-;
InChIKey YWPSUKHFHJBCJF-XTHWXISQSA-N
Mol Weight 682.5 g/mol
Molecular Formula C46H29N3Ni
Exact Mass 681.17149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zgZpl01uLp
Name NICKEL-(II)-6,11,16,21-TETRAPHENYL-META-BENZIPORPHYRIN
Compound Number 8-NI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H29N3Ni
InChI InChI=1S/C46H29N3.Ni/c1-5-14-31(15-6-1)43-35-22-13-23-36(30-35)44(32-16-7-2-8-17-32)38-25-27-40(48-38)46(34-20-11-4-12-21-34)42-29-28-41(49-42)45(33-18-9-3-10-19-33)39-26-24-37(43)47-39;/h1-29H;/q-1;+1/b43-37-,44-38-,45-41-,46-42-;
InChIKey YWPSUKHFHJBCJF-XTHWXISQSA-N
Literature Reference Author M.STEPIEN,L.LATOS-GRAZYNSKI,L.SZTERENBERG,J.PANEK,Z.LATAJKA
Literature Reference Citation J.AM.CHEM.SOC.,126,4566(2004)
Literature Reference DOI 10.1021/ja039384u
Molecular Weight 682.446 g/mol
Solvent CDCl3
Source File Reference UWMZ24257