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5-(4'-formylphenyl)-10,15,20-tris(4"-propylphenyl)porphyrine
SpectraBase Compound ID 8T7zkMl87Tq
InChI InChI=1S/C54H48N4O/c1-4-7-35-10-18-39(19-11-35)51-43-26-28-45(55-43)52(40-20-12-36(8-5-2)13-21-40)47-30-32-49(57-47)54(42-24-16-38(34-59)17-25-42)50-33-31-48(58-50)53(46-29-27-44(51)56-46)41-22-14-37(9-6-3)15-23-41/h10-34,55,58H,4-9H2,1-3H3/b51-43-,51-44-,52-45-,52-47-,53-46-,53-48-,54-49-,54-50-
InChIKey NFSKRSUBCRNUFY-FLZKLWFOSA-N
Mol Weight 769.0 g/mol
Molecular Formula C54H48N4O
Exact Mass 768.382812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hb6u3ScvAMr
Name 5-(4'-formylphenyl)-10,15,20-tris(4"-propylphenyl)porphyrine
CAS Registry Number 124856-06-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H48N4O
InChI InChI=1S/C54H48N4O/c1-4-7-35-10-18-39(19-11-35)51-43-26-28-45(55-43)52(40-20-12-36(8-5-2)13-21-40)47-30-32-49(57-47)54(42-24-16-38(34-59)17-25-42)50-33-31-48(58-50)53(46-29-27-44(51)56-46)41-22-14-37(9-6-3)15-23-41/h10-34,55,58H,4-9H2,1-3H3/b51-43-,51-44-,52-45-,52-47-,53-46-,53-48-,54-49-,54-50-
InChIKey NFSKRSUBCRNUFY-FLZKLWFOSA-N
Molecular Weight 769.005 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)CCC)cc4)-c2ccc(cc2)CCC)cc3)-c2ccc(C=O)cc2)cc1)-c1ccc(cc1)CCC
SPLASH splash10-014j-0007000900-033a7f55440308650eb2
Source of Spectrum K-123-1355-4
Synonyms 4-[7,12,17-tris(4-propylphenyl)-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]benzaldehyde
Wiley ID 1416694