| SpectraBase Compound ID | B9DK40MiTGN |
|---|---|
| InChI | InChI=1S/C36H44N4.ClH.Fe/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;1H;/q-4;;+5/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;; |
| InChIKey | KXEQNLBQJJDFJD-YAJYDHHFSA-M |
| Mol Weight | 624.1 g/mol |
| Molecular Formula | C36H44ClFeN4 |
| Exact Mass | 623.260386 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K9BzGY9EsrD |
|---|---|
| Name | Iron chloride octaethyl porphine complex |
| Alternate Name(s) | 1-Chloro-4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraaza-1-ferraoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-3,5,7,9,11,13,15,17,19,21(24)-decaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H44ClFeN4 |
| InChI | InChI=1S/C36H44N4.ClH.Fe/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;1H;/q-4;;+5/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;; |
| InChIKey | KXEQNLBQJJDFJD-YAJYDHHFSA-M |
| Molecular Weight | 624.074 g/mol |
| SMILES | CCc1c(CC)c2cc3c(CC)c(CC)c4cc5c(CC)c(CC)c6cc7c(CC)c(CC)c8cc1[n]2[Fe](Cl)([n]78)([n]34)[n]56 |
| SPLASH | splash10-000i-0020190000-4067e2dd2777ba5a48e7 |
| Wiley ID | 1484403 |