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5,15-Bis[4-(methoxycarbonyl)phenyl]-10,20-bis(2-nitrophenyl)porpyrin
SpectraBase Compound ID 9H4OZ0dZlvZ
InChI InChI=1S/C48H32N6O8/c1-61-47(55)29-15-11-27(12-16-29)43-33-19-23-37(49-33)45(31-7-3-5-9-41(31)53(57)58)39-25-21-35(51-39)44(28-13-17-30(18-14-28)48(56)62-2)36-22-26-40(52-36)46(38-24-20-34(43)50-38)32-8-4-6-10-42(32)54(59)60/h3-26,49,52H,1-2H3/b43-33-,43-34-,44-35-,44-36-,45-37-,45-39-,46-38-,46-40-
InChIKey JGLHOIDHKVZJRU-YYKDFWKRSA-N
Mol Weight 820.8 g/mol
Molecular Formula C48H32N6O8
Exact Mass 820.228162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lbrSUCAU45
Name 5,15-Bis[4-(methoxycarbonyl)phenyl]-10,20-bis(2-nitrophenyl)porpyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H32N6O8
InChI InChI=1S/C48H32N6O8/c1-61-47(55)29-15-11-27(12-16-29)43-33-19-23-37(49-33)45(31-7-3-5-9-41(31)53(57)58)39-25-21-35(51-39)44(28-13-17-30(18-14-28)48(56)62-2)36-22-26-40(52-36)46(38-24-20-34(43)50-38)32-8-4-6-10-42(32)54(59)60/h3-26,49,52H,1-2H3/b43-33-,43-34-,44-35-,44-36-,45-37-,45-39-,46-38-,46-40-
InChIKey JGLHOIDHKVZJRU-YYKDFWKRSA-N
Molecular Weight 820.818 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(C(=O)OC)cc2)cc4)-c2c(N(=O)=O)cccc2)cc3)-c2ccc(C(=O)OC)cc2)cc1)-c1c(N(=O)=O)cccc1
SPLASH splash10-00di-0000000190-ba71f03298ed149b4162
Source of Spectrum J-58-7253-48
Synonyms Methyl 4-{12-[4-(methoxycarbonyl)phenyl]-7,17-bis(2-nitrophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}benzoate
Wiley ID 1417432