| SpectraBase Compound ID | 5EEhvvkUX6I |
|---|---|
| InChI | InChI=1S/C12H9O.C10H8.C5H5.2Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1;;/h1-9H;1-8H;1-5H;;/q-5;-10;-5;; |
| InChIKey | KJOUOQUZJVSNCG-UHFFFAOYSA-N |
| Mol Weight | 474.16 g/mol |
| Molecular Formula | C27H22Fe2O |
| Exact Mass | 474.036937 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HgZwllLossE |
|---|---|
| Name | 1,1''-Biferrocene, 1'-benzoyl- |
| Alternate Name(s) | 1'-Benzoylbiferrocene 1,1''-biferrocene, 1'-benzoyl- 1-Benzoylcyclopentane-1,2,3,4,5-pentaide 3-(cyclopentane-1,2,3,4,5-pentaid-1-yl)cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide diiron |
| CAS Registry Number | 56803-71-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H22Fe2O |
| InChI | InChI=1S/C12H9O.C10H8.C5H5.2Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1;;/h1-9H;1-8H;1-5H;;/q-5;-10;-5;; |
| InChIKey | KJOUOQUZJVSNCG-UHFFFAOYSA-N |
| Molecular Weight | 474.162 g/mol |
| SMILES | C(=O)([C-]1[CH-][CH-][CH-][CH-]1)c1ccccc1.[Fe].[Fe].[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][C-]([CH-]1)[C-]1[CH-][CH-][CH-][CH-]1 |
| SPLASH | splash10-05fr-0003900000-32b839b24acdf2d7b7fc |
| Source of Spectrum | AG-93-225-0 |
| Wiley ID | 1393888 |