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Tetra(T-butyl)-tetramethyl-porphin zinc dication

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Tetra(T-butyl)-tetramethyl-porphin zinc dication
SpectraBase Compound ID ABDSMl1Aoci
InChI InChI=1S/C40H54N4.Zn/c1-21-25-17-26-22(2)35(39(11,12)13)31(42-26)20-32-36(40(14,15)16)24(4)28(44-32)19-30-34(38(8,9)10)23(3)27(43-30)18-29(41-25)33(21)37(5,6)7;/h17-20,42-43H,1-16H3;/q;+2/b25-17-,26-17-,27-18-,28-19-,29-18-,30-19-,31-20-,32-20-;
InChIKey XWCZFOXYENFVMF-XYASODIGSA-N
Mol Weight 656.3 g/mol
Molecular Formula C40H54N4Zn
Exact Mass 654.36399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1e87w9EbPq
Name Tetra(T-butyl)-tetramethyl-porphin zinc dication
Comments ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H54N4Zn
InChI InChI=1S/C40H54N4.Zn/c1-21-25-17-26-22(2)35(39(11,12)13)31(42-26)20-32-36(40(14,15)16)24(4)28(44-32)19-30-34(38(8,9)10)23(3)27(43-30)18-29(41-25)33(21)37(5,6)7;/h17-20,42-43H,1-16H3;/q;+2/b25-17-,26-17-,27-18-,28-19-,29-18-,30-19-,31-20-,32-20-;
InChIKey XWCZFOXYENFVMF-XYASODIGSA-N
Instrument Name Varian CFT-20
Literature Reference H. Budzikiewicz, K. Taraz, H. Muenster, Monatsh. Chem. 116, 525 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3