![4,4-bis[.eta.(5)-Cyclopentadienyl-dicarbonyl-iron]octafluorodiphenyl](/api/spectrum/4VMMhuvnWwN/structure.png?h=300&w=458 "4,4-bis[.eta.(5)-Cyclopentadienyl-dicarbonyl-iron]octafluorodiphenyl")
| SpectraBase Compound ID | 8DYiNWF5XHe |
|---|---|
| InChI | InChI=1S/C12F8.2C5H5.4CO.2Fe/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20;2*1-2-4-5-3-1;4*1-2;;/h;2*1-5H;;;;;; |
| InChIKey | WBGRYHXWYBUBCI-UHFFFAOYSA-N |
| Mol Weight | 650.04 g/mol |
| Molecular Formula | C26H10F8Fe2O4 |
| Exact Mass | 649.915006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4VMMhuvnWwN |
|---|---|
| Name | 4,4-bis[.eta.(5)-Cyclopentadienyl-dicarbonyl-iron]octafluorodiphenyl |
| Alternate Name(s) | 1-(4-{4-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2,3,5,6-tetrafluorophenyl}-2,3,5,6-tetrafluorophenyl)-1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane 4,4-bis{[.eta(5).-Cyclopentadienyl-dicarbonyl]iron}-octafluorodiphenyl |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H10F8Fe2O4 |
| InChI | InChI=1S/C12F8.2C5H5.4CO.2Fe/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20;2*1-2-4-5-3-1;4*1-2;;/h;2*1-5H;;;;;; |
| InChIKey | WBGRYHXWYBUBCI-UHFFFAOYSA-N |
| Molecular Weight | 650.040 g/mol |
| SMILES | [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(c1c(c(F)c(-c2c(c(F)c([Fe]3456([C@]7([C@@]6([C@@]4([C@@]5([C@@]37[H])[H])[H])[H])[H])(C#[O])C#[O])c(c2F)F)F)c(c1F)F)F)(C#[O])C#[O])[H] |
| SPLASH | splash10-00dl-0910000000-c770a58bc46987e82745 |
| Source of Spectrum | F9-1994-937-3 |
| Wiley ID | 1566868 |