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2,3,7,8,12,13,17,18-Octaethyl-5,10,15-triphenylporphyrine
SpectraBase Compound ID knhSQCieDT
InChI InChI=1S/C54H58N4/c1-9-36-38(11-3)49-46(33-26-20-17-21-27-33)51-40(13-5)42(15-7)53(57-51)48(35-30-24-19-25-31-35)54-43(16-8)41(14-6)52(58-54)47(34-28-22-18-23-29-34)50-39(12-4)37(10-2)45(56-50)32-44(36)55-49/h17-32,55,58H,9-16H2,1-8H3/b44-32-,45-32-,49-46-,50-47-,51-46-,52-47-,53-48-,54-48-
InChIKey FNDVZYXJRPIQTO-QLTAPEHMSA-N
Mol Weight 763.1 g/mol
Molecular Formula C54H58N4
Exact Mass 762.466148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSedLOOfmUp
Name 2,3,7,8,12,13,17,18-Octaethyl-5,10,15-triphenylporphyrine
Alternate Name(s) 4,5,9,10,14,15,19,20-octaethyl-2,7,12-triphenyl-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
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Formula C54H58N4
InChI InChI=1S/C54H58N4/c1-9-36-38(11-3)49-46(33-26-20-17-21-27-33)51-40(13-5)42(15-7)53(57-51)48(35-30-24-19-25-31-35)54-43(16-8)41(14-6)52(58-54)47(34-28-22-18-23-29-34)50-39(12-4)37(10-2)45(56-50)32-44(36)55-49/h17-32,55,58H,9-16H2,1-8H3/b44-32-,45-32-,49-46-,50-47-,51-46-,52-47-,53-48-,54-48-
InChIKey FNDVZYXJRPIQTO-QLTAPEHMSA-N
Molecular Weight 763.086 g/mol
SMILES [nH]1c2c(c(c1cc1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)c(c4CC)CC)-c2ccccc2)c(c3CC)CC)-c2ccccc2)c(c1CC)CC)CC)CC
SPLASH splash10-03di-0000000900-d0c20e42bf2028470364
Source of Spectrum K1-2001-1745-24
Wiley ID 846396