![Iron, [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene]tricarbonyl-](/api/spectrum/GlatJsFElFt/structure.png?h=300&w=458 "Iron, [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene]tricarbonyl-")
| SpectraBase Compound ID | FCpIRqFRb6K |
|---|---|
| InChI | InChI=1S/C7H16.3CO.Fe/c1-6(2)5-7(3)4;3*1-2;/h6-7H,5H2,1-4H3;;;;/q;3*-1; |
| InChIKey | CPIMJVZFSZSTDC-UHFFFAOYSA-N |
| Mol Weight | 240.08 g/mol |
| Molecular Formula | C10H16FeO3 |
| Exact Mass | 240.04488 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlatJsFElFt |
|---|---|
| Name | Iron, [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene]tricarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.044880372 u |
| Formula | C10H16FeO3 |
| InChI | InChI=1S/C7H16.3CO.Fe/c1-6(2)5-7(3)4;3*1-2;/h6-7H,5H2,1-4H3;;;;/q;3*-1; |
| InChIKey | CPIMJVZFSZSTDC-UHFFFAOYSA-N |
| Molecular Weight | 240.080 g/mol |
| Nominal Mass | 240 u |
| SMILES | [C-]([Fe]([C-]=O)[C-]=O)=O.CC(CC(C)C)C |