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Zinc, [5,10,15,20-tetrakis(2-methoxyphenyl)-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, stereoisomer
SpectraBase Compound ID 82uSWHJeWaa
InChI InChI=1S/C48H36N4O4.Zn/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;/h5-28H,1-4H3;/q-2;+2/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKey GCJIOIWWXXTSRI-LPXWNWKISA-N
Mol Weight 798.2 g/mol
Molecular Formula C48H36N4O4Zn
Exact Mass 796.202798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48d3t6gArKB
Name Zinc, [5,10,15,20-tetrakis(2-methoxyphenyl)-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, stereoisomer
CAS Registry Number 113830-47-0
Comments Less than 3 mono-isotopic peaks
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Formula C48H36N4O4Zn
InChI InChI=1S/C48H36N4O4.Zn/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;/h5-28H,1-4H3;/q-2;+2/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKey GCJIOIWWXXTSRI-LPXWNWKISA-N
Molecular Weight 798.222 g/mol
SMILES c12[n]3[Zn][n]4c(c(c5nc(c2-c2c(OC)cccc2)cc5)-c2c(OC)cccc2)ccc4c(c2nc(cc2)c(c3cc1)-c1c(OC)cccc1)-c1c(OC)cccc1
SPLASH splash10-0002-0000000920-80fec1ee2a3ccd5d67a4
Source of Spectrum H-70-1185-7
Synonyms 2,7,12,17-tetrakis(2-methoxyphenyl)-21,23,24,25-tetraaza-22-zincahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene 21H,23H-porphine, 5,10,15,20-tetrakis(2-methoxyphenyl)-, zinc complex, stereoisomer [5,10,15,20-tetrakis(2-methoxyphenyl)porphyrinato]zinc
Wiley ID 1417124