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2,3,7,8,12,13,17,18-Octaethyl-porphyrine dication

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2,3,7,8,12,13,17,18-Octaethyl-porphyrine dication
SpectraBase Compound ID GDpk7zz68uO
InChI InChI=1S/C36H46N4/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/h17-20,37,40H,9-16H2,1-8H3/p+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
InChIKey HCIIFBHDBOCSAF-MUZKIALCSA-P
Mol Weight 536.8 g/mol
Molecular Formula C36H48N4
Exact Mass 536.387898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RvVAQkGQAa
Name 2,3,7,8,12,13,17,18-Octaethyl-porphyrine dication
Comments C-N-15 COUPLING
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H48N4
InChI InChI=1S/C36H46N4/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/h17-20,37,40H,9-16H2,1-8H3/p+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
InChIKey HCIIFBHDBOCSAF-MUZKIALCSA-P
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
Solvent CF3COOH