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5-(2',3'-Dihydroxyphenyl)-10,15,20-triphenylporphyrin
SpectraBase Compound ID 3bs7aiz8ru1
InChI InChI=1S/C44H30N4O2/c49-39-18-10-17-30(44(39)50)43-37-25-23-35(47-37)41(28-13-6-2-7-14-28)33-21-19-31(45-33)40(27-11-4-1-5-12-27)32-20-22-34(46-32)42(29-15-8-3-9-16-29)36-24-26-38(43)48-36/h1-26,45,48-50H/b40-31-,40-32-,41-33-,41-35-,42-34-,42-36-,43-37-,43-38-
InChIKey CRDGQRQZMKWOJL-JZEBFADFSA-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 2ahxSEXXSY0
Name 5-(2',3'-Dihydroxyphenyl)-10,15,20-triphenylporphyrin
Alternate Name(s) 3-[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/c49-39-18-10-17-30(44(39)50)43-37-25-23-35(47-37)41(28-13-6-2-7-14-28)33-21-19-31(45-33)40(27-11-4-1-5-12-27)32-20-22-34(46-32)42(29-15-8-3-9-16-29)36-24-26-38(43)48-36/h1-26,45,48-50H/b40-31-,40-32-,41-33-,41-35-,42-34-,42-36-,43-37-,43-38-
InChIKey CRDGQRQZMKWOJL-JZEBFADFSA-N
Molecular Weight 646.750 g/mol
SMILES [nH]1c2c(-c3c(c(ccc3)O)O)c3nc(c(c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)-c1ccccc1)cc3
SPLASH splash10-0002-2000009000-67a4f3953a5554694601
Source of Spectrum K1-2000-2311-25
Wiley ID 750466