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2,3,7,8,12,13,17,18-Octaethyl-5,10-diphenylporphyrine
SpectraBase Compound ID KeaSrMNhfOR
InChI InChI=1S/C48H54N4/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40/h17-28,50-51H,9-16H2,1-8H3/b39-27-,40-28-,41-27-,42-28-,45-43-,46-44-,47-43-,48-44-
InChIKey YFOBFMFPUCFYMP-JFDUJXKYSA-N
Mol Weight 687.0 g/mol
Molecular Formula C48H54N4
Exact Mass 686.434848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHTzzNwRlRB
Name 2,3,7,8,12,13,17,18-Octaethyl-5,10-diphenylporphyrine
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Formula C48H54N4
InChI InChI=1S/C48H54N4/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40/h17-28,50-51H,9-16H2,1-8H3/b39-27-,40-28-,41-27-,42-28-,45-43-,46-44-,47-43-,48-44-
InChIKey YFOBFMFPUCFYMP-JFDUJXKYSA-N
Molecular Weight 686.988 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2-c2ccccc2)c(c4CC)CC)-c2ccccc2)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH splash10-000i-0000009000-972673379e0c870a85d4
Source of Spectrum K1-2001-1744-14
Synonyms 4,5,9,10,14,15,19,20-octaethyl-2,17-diphenyl-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-undecaene
Wiley ID 846401