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meso-Tetraphenyl-21,23-dithia-porphine dication

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meso-Tetraphenyl-21,23-dithia-porphine dication
SpectraBase Compound ID IJqEmjt0w3U
InChI InChI=1S/C44H28N2S2/c1-5-13-29(14-6-1)41-33-21-22-34(45-33)42(30-15-7-2-8-16-30)39-27-28-40(48-39)44(32-19-11-4-12-20-32)36-24-23-35(46-36)43(31-17-9-3-10-18-31)38-26-25-37(41)47-38/h1-28H/p+2/b41-33-,41-37-,42-34-,42-39-,43-35-,43-38-,44-36-,44-40-
InChIKey NAHFWYVLDQUWFI-RKKMNUGNSA-P
Mol Weight 650.9 g/mol
Molecular Formula C44H30N2S2
Exact Mass 650.185041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QQPbeov8WW
Name meso-Tetraphenyl-21,23-dithia-porphine dication
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H30N2S2
InChI InChI=1S/C44H28N2S2/c1-5-13-29(14-6-1)41-33-21-22-34(45-33)42(30-15-7-2-8-16-30)39-27-28-40(48-39)44(32-19-11-4-12-20-32)36-24-23-35(46-36)43(31-17-9-3-10-18-31)38-26-25-37(41)47-38/h1-28H/p+2/b41-33-,41-37-,42-34-,42-39-,43-35-,43-38-,44-36-,44-40-
InChIKey NAHFWYVLDQUWFI-RKKMNUGNSA-P
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, P. Leonard, A. Ulman, Org. Magn. Resonance 22, 561 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH