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5-[ 3',4'-Dimethoxyphenyl-2',5'-bis(t-butyl)]-10,15,20-triphenylporphyrin
SpectraBase Compound ID 6MvEOvol3Vq
InChI InChI=1S/C54H50N4O2/c1-53(2,3)37-32-36(50(54(4,5)6)52(60-8)51(37)59-7)49-44-30-28-42(57-44)47(34-20-14-10-15-21-34)40-26-24-38(55-40)46(33-18-12-9-13-19-33)39-25-27-41(56-39)48(35-22-16-11-17-23-35)43-29-31-45(49)58-43/h9-32,55,58H,1-8H3/b46-38-,46-39-,47-40-,47-42-,48-41-,48-43-,49-44-,49-45-
InChIKey ORPSGYVMIPIJEO-VUXQGAMNSA-N
Mol Weight 787.0 g/mol
Molecular Formula C54H50N4O2
Exact Mass 786.393377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqKRPe1WFeK
Name 5-[ 3',4'-Dimethoxyphenyl-2',5'-bis(t-butyl)]-10,15,20-triphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H50N4O2
InChI InChI=1S/C54H50N4O2/c1-53(2,3)37-32-36(50(54(4,5)6)52(60-8)51(37)59-7)49-44-30-28-42(57-44)47(34-20-14-10-15-21-34)40-26-24-38(55-40)46(33-18-12-9-13-19-33)39-25-27-41(56-39)48(35-22-16-11-17-23-35)43-29-31-45(49)58-43/h9-32,55,58H,1-8H3/b46-38-,46-39-,47-40-,47-42-,48-41-,48-43-,49-44-,49-45-
InChIKey ORPSGYVMIPIJEO-VUXQGAMNSA-N
Molecular Weight 787.020 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2c(c(OC)c(c(c2)C(C)(C)C)OC)C(C)(C)C)cc3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-000i-0000000900-47e605b8e104ea7094f1
Source of Spectrum K1-2000-2309-11
Wiley ID 750476