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

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5-(4-Formylphenyl)-10,15,20-triphenyl-21H,23H-porphine
SpectraBase Compound ID 3DppUtoXKeX
InChI InChI=1S/C45H30N4O/c50-28-29-16-18-33(19-17-29)45-40-26-24-38(48-40)43(31-12-6-2-7-13-31)36-22-20-34(46-36)42(30-10-4-1-5-11-30)35-21-23-37(47-35)44(32-14-8-3-9-15-32)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey ICUCVEDZZXQQMZ-HIXPDHBDSA-N
Mol Weight 642.8 g/mol
Molecular Formula C45H30N4O
Exact Mass 642.241962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjvhD8tnwWB
Name 5-(4-Formylphenyl)-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 642.241961601 u
Formula C45H30N4O
InChI InChI=1S/C45H30N4O/c50-28-29-16-18-33(19-17-29)45-40-26-24-38(48-40)43(31-12-6-2-7-13-31)36-22-20-34(46-36)42(30-10-4-1-5-11-30)35-21-23-37(47-35)44(32-14-8-3-9-15-32)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey ICUCVEDZZXQQMZ-HIXPDHBDSA-N
Molecular Weight 642.762 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)C=O)N4)C1=CC=CC=C1)C=C3)C1=CC=CC=C1)C=C2