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CHEBI:30251 - pentacarbonyliron
| Formula | C5FeO5 |
| Net Charge | 0 |
| Average Mass | 195.895 |
| Monoisotopic Mass | 195.90951 |
| SMILES | O#[C][Fe]([C]#O)([C]#O)([C]#O)[C]#O |
| InChI | InChI=1S/5CO.Fe/c5*1-2; |
| InChIKey | FYOFOKCECDGJBF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | NMR chemical shift reference compound Any compound that produces a peak used as reference frequency in the δ chemical shift scale. |
| Application: | NMR chemical shift reference compound Any compound that produces a peak used as reference frequency in the δ chemical shift scale. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentacarbonyliron (CHEBI:30251) has role NMR chemical shift reference compound (CHEBI:228364) |
| pentacarbonyliron (CHEBI:30251) is a iron coordination entity (CHEBI:33892) |
| pentacarbonyliron (CHEBI:30251) is a metal carbonyl (CHEBI:36604) |
| IUPAC Names |
|---|
| pentacarbonyliron |
| pentacarbonyliron(0) |
| Synonyms | Source |
|---|---|
| [Fe(CO)5] | IUPAC |
| iron pentacarbonyl | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 49 | MolBase |
| Registry Numbers | Sources |
|---|---|
| Gmelin:3567 | Gmelin |
| Gmelin:3568 | Gmelin |
| CAS:13463-40-6 | ChemIDplus |
| CAS:13463-40-6 | NIST Chemistry WebBook |