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5-(3',4'-Dihydroxyphenyl)-10,15,20-triphenylporphyrin
SpectraBase Compound ID 4nSiuEqhe6z
InChI InChI=1S/C44H30N4O2/c49-39-25-16-30(26-40(39)50)44-37-23-21-35(47-37)42(28-12-6-2-7-13-28)33-19-17-31(45-33)41(27-10-4-1-5-11-27)32-18-20-34(46-32)43(29-14-8-3-9-15-29)36-22-24-38(44)48-36/h1-26,45,48-50H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38-
InChIKey DQBHCALCTNJBIF-KFLZKQPWSA-N
Mol Weight 646.8 g/mol
Molecular Formula C44H30N4O2
Exact Mass 646.236876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSBZu4Vs5NG
Name 5-(3',4'-Dihydroxyphenyl)-10,15,20-triphenylporphyrin
Alternate Name(s) 4-[7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]-1,2-benzenediol
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Formula C44H30N4O2
InChI InChI=1S/C44H30N4O2/c49-39-25-16-30(26-40(39)50)44-37-23-21-35(47-37)42(28-12-6-2-7-13-28)33-19-17-31(45-33)41(27-10-4-1-5-11-27)32-18-20-34(46-32)43(29-14-8-3-9-15-29)36-22-24-38(44)48-36/h1-26,45,48-50H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38-
InChIKey DQBHCALCTNJBIF-KFLZKQPWSA-N
Molecular Weight 646.750 g/mol
SMILES [nH]1c2c(-c3ccc(c(c3)O)O)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)-c1ccccc1)cc3
SPLASH splash10-0002-0000009000-6ae2863046e13b581352
Source of Spectrum K1-2000-2311-24
Wiley ID 750465