mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/JZZVMMDSKUEMHK-IJEKNQBHSA-L/CHMO0000470
Chemical Info
| InChI | InChI=1S/C82H56N8O4.2Fe.O/c1-3-93-81(91)54-28-24-52(25-29-54)77-60-34-32-56(83-60)48-57-33-35-61(84-57)78(53-26-30-55(31-27-53)82(92)94-4-2)69-43-47-73(90-69)80(72-46-42-68(77)89-72)59-23-15-14-22-58(59)79-70-44-40-66(87-70)75(50-18-10-6-11-19-50)64-38-36-62(85-64)74(49-16-8-5-9-17-49)63-37-39-65(86-63)76(51-20-12-7-13-21-51)67-41-45-71(79)88-67;;;/h5-48H,3-4H2,1-2H3,(H2-2,83,84,85,86,87,88,89,90,91,92);;;/q-2;2*+2;/p-2/b56-48-,57-48-,74-62-,74-63-,75-64-,75-66-,76-65-,76-67-,77-60-,77-68-,78-61-,78-69-,79-70-,79-71-,80-72-,80-73-;;; |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C/2=c/3\n4[Fe](n5c1ccc5/C=C\1/C=CC(=N1)/C(=c\4/cc3)/c1ccc(cc1)C(=O)OCC)O[Fe]1n3c4ccc3/C(=C\3/C=CC(=N3)/C(=c/3\n1/c(=C(\C1=N/C(=C\4/c4ccccc4)/C=C1)/c1ccccc1)/cc3)/c1ccccc1)/c1c2cccc1 |
| InChI Key | JZZVMMDSKUEMHK-IJEKNQBHSA-L |
| Molecular Formula | C82H56Fe2N8O5+2 |
| Exact Mass | 1343.047 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 742c8154-7c24-44fb-b650-c66399cb9e82 |
| Package id | 10-14272-jzzvmmdskuemhk-ijeknqbhsa-l-chmo0000470 |
| Resource type | HTML |
| State | active |