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22-PYRIDINIUMYL-6,21-DI-(PARA-TOLYL)-11,16-DI-(PARA-NITROPHENYL)-M-BENZIPORPHYRIN

View entire compound with spectra: 1 NMR

22-PYRIDINIUMYL-6,21-DI-(PARA-TOLYL)-11,16-DI-(PARA-NITROPHENYL)-M-BENZIPORPHYRIN
SpectraBase Compound ID 713y5TbH9La
InChI InChI=1S/C53H37N6O4/c1-33-9-13-35(14-10-33)49-41-7-6-8-42(53(41)57-31-4-3-5-32-57)50(36-15-11-34(2)12-16-36)44-26-28-46(55-44)52(38-19-23-40(24-20-38)59(62)63)48-30-29-47(56-48)51(45-27-25-43(49)54-45)37-17-21-39(22-18-37)58(60)61/h3-32,56H,1-2H3/q+1/b49-43-,50-44-,51-47-,52-48-
InChIKey MVUREGWGGUAOCT-QIFZSHOESA-N
Mol Weight 821.9 g/mol
Molecular Formula C53H37N6O4
Exact Mass 821.287629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XxlSh2wajo
Name 22-PYRIDINIUMYL-6,21-DI-(PARA-TOLYL)-11,16-DI-(PARA-NITROPHENYL)-M-BENZIPORPHYRIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H37N6O4
InChI InChI=1S/C53H37N6O4/c1-33-9-13-35(14-10-33)49-41-7-6-8-42(53(41)57-31-4-3-5-32-57)50(36-15-11-34(2)12-16-36)44-26-28-46(55-44)52(38-19-23-40(24-20-38)59(62)63)48-30-29-47(56-48)51(45-27-25-43(49)54-45)37-17-21-39(22-18-37)58(60)61/h3-32,56H,1-2H3/q+1/b49-43-,50-44-,51-47-,52-48-
InChIKey MVUREGWGGUAOCT-QIFZSHOESA-N
Literature Reference Author M.STEPIEN,L.LATOS-GRAZYNSKI
Literature Reference Citation ORG.LETTERS,5,3379(2003)
Literature Reference DOI 10.1021/ol035232s
Molecular Weight 821.915 g/mol
Sample ID 48897
Solvent CDCl3