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5-[ 2',3'-Dimethoxy-4'-methylphenyl]-10,15,20-triphenylporphyrin
SpectraBase Compound ID BX3zSumaRzT
InChI InChI=1S/C47H36N4O2/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39/h4-28,48,51H,1-3H3/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey XFJKZOYCGRFJMP-HIXPDHBDSA-N
Mol Weight 688.8 g/mol
Molecular Formula C47H36N4O2
Exact Mass 688.283826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJI7FE7OnA9
Name 5-[ 2',3'-Dimethoxy-4'-methylphenyl]-10,15,20-triphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H36N4O2
InChI InChI=1S/C47H36N4O2/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39/h4-28,48,51H,1-3H3/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-
InChIKey XFJKZOYCGRFJMP-HIXPDHBDSA-N
Molecular Weight 688.831 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2c(c(c(C)cc2)OC)OC)cc3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-000i-0000009000-4f3186b667640f5e2a89
Source of Spectrum K1-2000-2309-14
Wiley ID 750473