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

View entire compound with spectra: 1 NMR

meso-Tetrakis(4-chloro-phenyl)-21,23-dithia-porphine dication
SpectraBase Compound ID KTzkr73VZoz
InChI InChI=1S/C44H24Cl4N2S2/c45-29-9-1-25(2-10-29)41-33-17-18-34(49-33)42(26-3-11-30(46)12-4-26)39-23-24-40(52-39)44(28-7-15-32(48)16-8-28)36-20-19-35(50-36)43(38-22-21-37(41)51-38)27-5-13-31(47)14-6-27/h1-24H/p+2/b41-33-,41-37-,42-34-,42-39-,43-35-,43-38-,44-36-,44-40-
InChIKey NBVVCDULHTVDQF-RKKMNUGNSA-P
Mol Weight 788.6 g/mol
Molecular Formula C44H26Cl4N2S2
Exact Mass 786.029152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mS6oztl58y
Name meso-Tetrakis(4-chloro-phenyl)-21,23-dithia-porphine dication
Comments SOLVENT C2D2CL2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H26Cl4N2S2
InChI InChI=1S/C44H24Cl4N2S2/c45-29-9-1-25(2-10-29)41-33-17-18-34(49-33)42(26-3-11-30(46)12-4-26)39-23-24-40(52-39)44(28-7-15-32(48)16-8-28)36-20-19-35(50-36)43(38-22-21-37(41)51-38)27-5-13-31(47)14-6-27/h1-24H/p+2/b41-33-,41-37-,42-34-,42-39-,43-35-,43-38-,44-36-,44-40-
InChIKey NBVVCDULHTVDQF-RKKMNUGNSA-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