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21H,23H-Porphine, 5,10,15,20-tetrakis(2-methoxyphenyl)-, stereoisomer
SpectraBase Compound ID 4MSf5XRjAVf
InChI InChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-
InChIKey LVIBHNALUZOXEO-XBWJNDOWSA-N
Mol Weight 734.9 g/mol
Molecular Formula C48H38N4O4
Exact Mass 734.289306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z3ZCtQD0Tq
Name 21H,23H-Porphine, 5,10,15,20-tetrakis(2-methoxyphenyl)-, stereoisomer
CAS Registry Number 113890-93-0
Comments Less than 3 mono-isotopic peaks
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Formula C48H38N4O4
InChI InChI=1S/C48H38N4O4/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3/h5-28,49,52H,1-4H3/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-
InChIKey LVIBHNALUZOXEO-XBWJNDOWSA-N
Molecular Weight 734.856 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(c4nc(c2-c2c(OC)cccc2)cc4)-c2c(OC)cccc2)[nH]3)-c2c(OC)cccc2)cc1)-c1c(OC)cccc1
SPLASH splash10-001r-0000000900-9cbb0811543651afd7f5
Source of Spectrum H-70-1186-10
Synonyms 2,7,12,17-tetrakis(2-methoxyphenyl)-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 5,10,15,20-Tetrakis(2-methoxyphenyl)porphyrin
Wiley ID 1416016