| SpectraBase Compound ID | 9MLb3UojKfj |
|---|---|
| InChI | InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-; |
| InChIKey | TVLQTHMQVIWHGP-XTPDIVBZSA-N |
| Mol Weight | 557.1 g/mol |
| Molecular Formula | C36H44MgN4 |
| Exact Mass | 556.341639 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4FI4KliGBYy |
|---|---|
| Name | magnesium(II)-porphyrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H44MgN4 |
| InChI | InChI=1S/C36H44N4.Mg/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-; |
| InChIKey | TVLQTHMQVIWHGP-XTPDIVBZSA-N |
| Molecular Weight | 557.081 g/mol |
| SMILES | c12[n]3[Mg][n]4c(cc5nc(c2)c(c5CC)CC)c(c(c4cc2nc(cc3c(CC)c1CC)c(c2CC)CC)CC)CC |
| SPLASH | splash10-0a6r-0090040000-57b8b16f1dc99bec52e4 |
| Source of Spectrum | O-24-878-0 |
| Synonyms | 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine-(21,23)-magnesium(II) 4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraaza-22-magnesahexacyclo[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 |
| Wiley ID | 1406447 |