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meso-Tetrakis(4-methoxy-phenyl)-21,23-dithia-porphine dication

View entire compound with spectra: 1 NMR

meso-Tetrakis(4-methoxy-phenyl)-21,23-dithia-porphine dication
SpectraBase Compound ID 1A3aXHJoqjI
InChI InChI=1S/C48H36N2O4S2/c1-51-33-13-5-29(6-14-33)45-37-21-22-38(49-37)46(30-7-15-34(52-2)16-8-30)43-27-28-44(56-43)48(32-11-19-36(54-4)20-12-32)40-24-23-39(50-40)47(42-26-25-41(45)55-42)31-9-17-35(53-3)18-10-31/h5-28H,1-4H3/p+2/b45-37-,45-41-,46-38-,46-43-,47-39-,47-42-,48-40-,48-44-
InChIKey OMYHIBRCOKVVRA-PEXKIIHOSA-P
Mol Weight 771.0 g/mol
Molecular Formula C48H38N2O4S2
Exact Mass 770.2273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpVnU0lnqae
Name meso-Tetrakis(4-methoxy-phenyl)-21,23-dithia-porphine dication
Comments SOLVENT C2D2CL2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H38N2O4S2
InChI InChI=1S/C48H36N2O4S2/c1-51-33-13-5-29(6-14-33)45-37-21-22-38(49-37)46(30-7-15-34(52-2)16-8-30)43-27-28-44(56-43)48(32-11-19-36(54-4)20-12-32)40-24-23-39(50-40)47(42-26-25-41(45)55-42)31-9-17-35(53-3)18-10-31/h5-28H,1-4H3/p+2/b45-37-,45-41-,46-38-,46-43-,47-39-,47-42-,48-40-,48-44-
InChIKey OMYHIBRCOKVVRA-PEXKIIHOSA-P
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, P. Leonard, A. Ulman, Org. Magn. Resonance 22, 561 (1984).
NMR Standard C2H2Cl4
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany