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5,10,15,20-Tetraphenyl-phorphyrinium thallium cation

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5,10,15,20-Tetraphenyl-phorphyrinium thallium cation
SpectraBase Compound ID AEWGRGbh4P
InChI InChI=1S/C44H28N4.Tl/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey IUNSSLCSVJKUMZ-DAJBKUBHSA-N
Mol Weight 817.1 g/mol
Molecular Formula C44H28N4Tl
Exact Mass 817.205824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbiHNSY1QzI
Name 5,10,15,20-Tetraphenyl-phorphyrinium thallium cation
Comments ANION OH-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H28N4Tl
InChI InChI=1S/C44H28N4.Tl/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey IUNSSLCSVJKUMZ-DAJBKUBHSA-N
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, G.E. Hawkes, M.F.Hudson, J. Chem. Soc. Perkin II 204 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O