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meso-2-Nitro-5,10,15,20-tetra(3-pyridyl)porphyrin
SpectraBase Compound ID 5u0FGVAloe4
InChI InChI=1S/C40H25N9O2/c50-49(51)35-19-34-38(26-7-3-17-43-22-26)32-12-11-30(46-32)36(24-5-1-15-41-20-24)28-9-10-29(45-28)37(25-6-2-16-42-21-25)31-13-14-33(47-31)39(40(35)48-34)27-8-4-18-44-23-27/h1-23,45,48H/b36-28-,36-30-,37-29-,37-31-,38-32-,38-34-,39-33-,40-39-
InChIKey CYOFWMMDUCKKGP-DRBJDVAXSA-N
Mol Weight 663.7 g/mol
Molecular Formula C40H25N9O2
Exact Mass 663.213121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtWvBuR5N97
Name meso-2-Nitro-5,10,15,20-tetra(3-pyridyl)porphyrin
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Formula C40H25N9O2
InChI InChI=1S/C40H25N9O2/c50-49(51)35-19-34-38(26-7-3-17-43-22-26)32-12-11-30(46-32)36(24-5-1-15-41-20-24)28-9-10-29(45-28)37(25-6-2-16-42-21-25)31-13-14-33(47-31)39(40(35)48-34)27-8-4-18-44-23-27/h1-23,45,48H/b36-28-,36-30-,37-29-,37-31-,38-32-,38-34-,39-33-,40-39-
InChIKey CYOFWMMDUCKKGP-DRBJDVAXSA-N
Molecular Weight 663.701 g/mol
SMILES [nH]1c2cc(c1c(c1nc(c(c3ccc(c(c4nc(c2-c2cnccc2)cc4)-c2cnccc2)[nH]3)-c2cnccc2)cc1)-c1cnccc1)N(=O)=O
SPLASH splash10-03xr-0000009000-4000389ad42d26e14f76
Source of Spectrum O1-34-883-3
Synonyms 4-Nitro-2,7,12,17-tetra(3-pyridinyl)-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 meso-32Nitro-5,10,15,20-tetra(3-pyridyl)porphyrin
Wiley ID 819472