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CHLOROCADMIUM-(II)-11,16-BIS-(4-NITROPHENYL)-6,6,21,21-TETRAPHENYL-META-BENZIPORPHYRIN
SpectraBase Compound ID KNv9e06GQyW
InChI InChI=1S/C58H38N5O4.Cd.ClH/c64-62(65)47-28-24-39(25-29-47)55-49-32-33-50(59-49)56(40-26-30-48(31-27-40)63(66)67)52-35-37-54(61-52)58(43-18-9-3-10-19-43,44-20-11-4-12-21-44)46-23-13-22-45(38-46)57(41-14-5-1-6-15-41,42-16-7-2-8-17-42)53-36-34-51(55)60-53;;/h1-38H;;1H/q-1;+2;/p-1/b55-51-,56-52-;;
InChIKey KEULJXHZIDUBBJ-ZSBDCNHQSA-M
Mol Weight 1016.8 g/mol
Molecular Formula C58H38CdClN5O4
Exact Mass 1017.164597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0IxAecD800
Name CHLOROCADMIUM-(II)-11,16-BIS-(4-NITROPHENYL)-6,6,21,21-TETRAPHENYL-META-BENZIPORPHYRIN
Compound Number 7-CDCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H38CdClN5O4
InChI InChI=1S/C58H38N5O4.Cd.ClH/c64-62(65)47-28-24-39(25-29-47)55-49-32-33-50(59-49)56(40-26-30-48(31-27-40)63(66)67)52-35-37-54(61-52)58(43-18-9-3-10-19-43,44-20-11-4-12-21-44)46-23-13-22-45(38-46)57(41-14-5-1-6-15-41,42-16-7-2-8-17-42)53-36-34-51(55)60-53;;/h1-38H;;1H/q-1;+2;/p-1/b55-51-,56-52-;;
InChIKey KEULJXHZIDUBBJ-ZSBDCNHQSA-M
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 1016.834 g/mol
Solvent CDCl3
Source File Reference UWMZ24256