| SpectraBase Compound ID | IWzpxhaX0NI |
|---|---|
| InChI | InChI=1S/C12H11O.C10H8.C7H9O.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;1-6(8)7-4-2-3-5-7;;/h1-9,12-13H;1-8H;2-6,8H,1H3;;/q-5;-10;-5;; |
| InChIKey | BNDOFDLNIQJBEL-UHFFFAOYSA-N |
| Mol Weight | 520.23 g/mol |
| Molecular Formula | C29H28Fe2O2 |
| Exact Mass | 520.078802 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FTZuABK0vZk |
|---|---|
| Name | 1,1''-Biferrocene, 1'-(1-hydroxyethyl)-1'''-(hydroxyphenylmethyl)- |
| Alternate Name(s) | 1'-(.alpha.-hydroxybenzyl)-1'''-(.alpha.-hydroxyethyl)biferrocene 1'-(.alpha.-Hydroxybenzyl)-1'''-(.alpha.-hydroxyethyl)biferrocene 1,1''-biferrocene, 1'-(1-hydroxyethyl)-1'''-(hydroxyphenylmethyl)- 1-(1-hydroxyethyl)cyclopentane-1,2,3,4,5-pentaide 1-[hydroxy(phenyl)methyl]cyclopentane-1,2,3,4,5-pentaide 3-(cyclopentane-1,2,3,4,5-pentaid-1-yl)cyclopentane-1,2,3,4,5-pentaide diiron Biferrocene, 1'-(.alpha.-hydroxybenzyl)-1'''-(.alpha.-hydroxyethyl)- Biferrocene, 1'-(.alpha.-hydroxybenzyl)-1'''-(.alpha.-hydroxyethyl)- |
| CAS Registry Number | 56770-49-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H28Fe2O2 |
| InChI | InChI=1S/C12H11O.C10H8.C7H9O.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;1-6(8)7-4-2-3-5-7;;/h1-9,12-13H;1-8H;2-6,8H,1H3;;/q-5;-10;-5;; |
| InChIKey | BNDOFDLNIQJBEL-UHFFFAOYSA-N |
| Molecular Weight | 520.231 g/mol |
| SMILES | OC([C-]1[CH-][CH-][CH-][CH-]1)c1ccccc1.[Fe].[Fe].OC(C)[C-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][C-]([CH-]1)[C-]1[CH-][CH-][CH-][CH-]1 |
| SPLASH | splash10-0udi-0009460000-e76768c1165468c87c8d |
| Source of Spectrum | AG-93-227-0 |
| Wiley ID | 1401963 |