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ZINC-TETRAPHENYLPORPHYRINE

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ZINC-TETRAPHENYLPORPHYRINE
SpectraBase Compound ID E13AfarHQ4w
InChI InChI=1S/C44H28N4.Zn/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;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey XPVVGUHKLPZAEN-DAJBKUBHSA-N
Mol Weight 678.1 g/mol
Molecular Formula C44H28N4Zn
Exact Mass 676.160539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQaqkfjW6v2
Name 5,10,15,20-Tetraphenyl-porphyrinium zinc
Comments FROM K.WUETHRICH,R.BAUMANN,HELV.CHIM.ACTA,56,585(1973)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H28N4Zn
InChI InChI=1S/C44H28N4.Zn/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;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKey XPVVGUHKLPZAEN-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 CDCl3