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2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine magnesium

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2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine magnesium
SpectraBase Compound ID 9MLb3UojKfj
InChI InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKey TVLQTHMQVIWHGP-XTPDIVBZSA-N
Mol Weight 557.1 g/mol
Molecular Formula C36H44MgN4
Exact Mass 556.341639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXpCsJt8W1A
Name 2,3,7,8,12,13,17,18-Octaethyl-porphyrinium magnesium
CAS Registry Number 20910-35-4
Comments CDCL3 + PYRIDINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H44MgN4
InChI InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;
InChIKey TVLQTHMQVIWHGP-XTPDIVBZSA-N
Instrument Name Jeol PFT-100
Literature Reference K. Kawano, Y. Ozaki, Y. Kyogoku, J. Chem. Soc. Perkin II 1319 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany