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5,10,15,20-Tetrakis(2-tolyl)-porphyrinium dication

View entire compound with spectra: 4 NMR

5,10,15,20-Tetrakis(2-tolyl)-porphyrinium dication
SpectraBase Compound ID 5yzEryr5owv
InChI InChI=1S/C48H38N4/c1-29-13-5-9-17-33(29)45-37-21-23-39(49-37)46(34-18-10-6-14-30(34)2)41-25-27-43(51-41)48(36-20-12-8-16-32(36)4)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-19-11-7-15-31(35)3/h5-28,49,52H,1-4H3/p+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey HAWDQBQCYGNAFT-PJEPRTEXSA-P
Mol Weight 672.9 g/mol
Molecular Formula C48H40N4
Exact Mass 672.325297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErgLwVx2WWO
Name 5,10,15,20-Tetrakis(2-tolyl)-porphyrinium dication
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H40N4
InChI InChI=1S/C48H38N4/c1-29-13-5-9-17-33(29)45-37-21-23-39(49-37)46(34-18-10-6-14-30(34)2)41-25-27-43(51-41)48(36-20-12-8-16-32(36)4)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-19-11-7-15-31(35)3/h5-28,49,52H,1-4H3/p+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey HAWDQBQCYGNAFT-PJEPRTEXSA-P
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 CF3COOH