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5,15-Bis(4-methylphenyl)-10,20-diphenylporphyrin

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5,15-Bis(4-methylphenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID H9fgnAgEiuQ
InChI InChI=1S/C46H34N4/c1-29-13-17-33(18-14-29)45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36/h3-28,47,50H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39-,45-40-,46-41-,46-42-
InChIKey MQQFXDBACGZUMJ-IWLVSUONSA-N
Mol Weight 642.8 g/mol
Molecular Formula C46H34N4
Exact Mass 642.278347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DD2gNj48Wx0
Name 5,15-bis(4-Methylphenyl)-10,20-diphenylporphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 642.278347111 u
Formula C46H34N4
InChI InChI=1S/C46H34N4/c1-29-13-17-33(18-14-29)45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36/h3-28,47,50H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39-,45-40-,46-41-,46-42-
InChIKey MQQFXDBACGZUMJ-IWLVSUONSA-N
Molecular Weight 642.806 g/mol
SMILES C=12N=C(C(=C3NC(=C(C4=CC=C(C=C4)C)C4=NC(=C(C=5NC(C1C=1C=CC(=CC1)C)=CC5)C1=CC=CC=C1)C=C4)C=C3)C=1C=CC=CC1)C=C2