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5-(4-Methoxymethylphenyl)-10,15,20-triphenyl-21H,23H-porphine

View entire compound with spectra: 1 NMR

5-(4-Methoxymethylphenyl)-10,15,20-triphenyl-21H,23H-porphine
SpectraBase Compound ID 9MxWYA2pMKy
InChI InChI=1S/C46H34N4O/c1-51-29-30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40/h2-28,47,50H,29H2,1H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKey IQQICMYACVUBEG-CRLDETFASA-N
Mol Weight 658.8 g/mol
Molecular Formula C46H34N4O
Exact Mass 658.273262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CWpgUoEpdI
Name 5-(4-Methoxymethylphenyl)-10,15,20-triphenyl-21H,23H-porphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.273261730 u
Formula C46H34N4O
InChI InChI=1S/C46H34N4O/c1-51-29-30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40/h2-28,47,50H,29H2,1H3/b43-35-,43-36-,44-37-,44-39-,45-38-,45-40-,46-41-,46-42-
InChIKey IQQICMYACVUBEG-CRLDETFASA-N
Molecular Weight 658.805 g/mol
SMILES C=12NC(=C(C3=NC(=C(C4=CC=C(C(=C5N=C(C1C1=CC=CC=C1)C=C5)C1=CC=C(C=C1)COC)N4)C1=CC=CC=C1)C=C3)C1=CC=CC=C1)C=C2