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2,8,12,18-Tetrabenzoyl-3,7,13,17-tetramethyl-5,10, 15, 20-tetrakis(p-diphenyl)porphyrine
SpectraBase Compound ID CH2CLP4ucAw
InChI InChI=1S/C76H54N4O4/c1-45-63(73(81)55-27-15-7-16-28-55)59-43-60-65(75(83)57-31-19-9-20-32-57)47(3)71(79-60)68(54-41-37-52(38-42-54)50-25-13-6-14-26-50)72-48(4)66(76(84)58-33-21-10-22-34-58)62(80-72)44-61-64(74(82)56-29-17-8-18-30-56)46(2)70(78-61)67(69(45)77-59)53-39-35-51(36-40-53)49-23-11-5-12-24-49/h5-44,77,80H,1-4H3/b59-43-,60-43-,61-44-,62-44-,69-67-,70-67-,71-68-,72-68-
InChIKey QLLVAURFCIAKKX-UQWPBJJUSA-N
Mol Weight 1087.3 g/mol
Molecular Formula C76H54N4O4
Exact Mass 1086.414506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLRVMcoXhb8
Name 2,8,12,18-Tetrabenzoyl-3,7,13,17-tetramethyl-5,10, 15, 20-tetrakis(p-diphenyl)porphyrine
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Formula C76H54N4O4
InChI InChI=1S/C76H54N4O4/c1-45-63(73(81)55-27-15-7-16-28-55)59-43-60-65(75(83)57-31-19-9-20-32-57)47(3)71(79-60)68(54-41-37-52(38-42-54)50-25-13-6-14-26-50)72-48(4)66(76(84)58-33-21-10-22-34-58)62(80-72)44-61-64(74(82)56-29-17-8-18-30-56)46(2)70(78-61)67(69(45)77-59)53-39-35-51(36-40-53)49-23-11-5-12-24-49/h5-44,77,80H,1-4H3/b59-43-,60-43-,61-44-,62-44-,69-67-,70-67-,71-68-,72-68-
InChIKey QLLVAURFCIAKKX-UQWPBJJUSA-N
Molecular Weight 1087.292 g/mol
SMILES [nH]1c2c(c(c1cc1nc(c(c3[nH]c(cc4nc(c2-c2ccc(cc2)-c2ccccc2)c(c4C(=O)c2ccccc2)C)c(c3C)C(=O)c2ccccc2)-c2ccc(cc2)-c2ccccc2)c(c1C(=O)c1ccccc1)C)C(=O)c1ccccc1)C
SPLASH splash10-052r-5900000000-3554c3b56ee89ffbd0bc
Source of Spectrum AJ-42-508-11
Wiley ID 1567845