![Iron, tricarbonyl[(6a,6b,12a,12b-.eta.)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrocyclobuta[1,2:3,4]dicyclooctene]-](/api/spectrum/E9TKbgfcJwG/structure.png?h=300&w=458 "Iron, tricarbonyl[(6a,6b,12a,12b-.eta.)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrocyclobuta[1,2:3,4]dicyclooctene]-")
| SpectraBase Compound ID | EoGipbYVRG5 |
|---|---|
| InChI | InChI=1S/C14H20.3CO.Fe/c1-3-7-11-12(8-4-1)14-10-6-2-5-9-13(11)14;3*1-2;/h1-10H2;;;; |
| InChIKey | HCZZNBUKCKJBGG-UHFFFAOYSA-N |
| Mol Weight | 328.189 g/mol |
| Molecular Formula | C17H20FeO3 |
| Exact Mass | 328.076181 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E9TKbgfcJwG |
|---|---|
| Name | Iron, tricarbonyl[(6a,6b,12a,12b-.eta.)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrocyclobuta[1,2:3,4]dicyclooctene]- |
| Alternate Name(s) | 1,2,3,4-bis-cyclohepteno-cyclobutadiene-iron-tricarbonyl Iron, tricarbonyl[(6a,6b,12a,12b-.eta.4-)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrocyclobuta[1,2:3,4]dicyclooctene]- Iron, tricarbonyl[(6a,6b,12a,12b-eta4-)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrocyclobuta[1,2:3,4]dicyclooctene]- Tris(methanidylidyneoxidanium) tricyclo[7.5.0.0(2,8)]tetradecane-1,2,8,9-tetraide iron |
| CAS Registry Number | 69815-46-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20FeO3 |
| InChI | InChI=1S/C14H20.3CO.Fe/c1-3-7-11-12(8-4-1)14-10-6-2-5-9-13(11)14;3*1-2;/h1-10H2;;;; |
| InChIKey | HCZZNBUKCKJBGG-UHFFFAOYSA-N |
| Molecular Weight | 328.189 g/mol |
| SMILES | [Fe].[C]12[C](CCCCC2)[C]2[C]1CCCCC2.[O+]#[C-].[O+]#[C-].[O+]#[C-] |
| SPLASH | splash10-0536-1910000000-711b3da038c89a921911 |
| Source of Spectrum | EP-6714-0-0 |
| Wiley ID | 1326124 |