EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4NiO4 |
| Net Charge | 0 |
| Average Mass | 170.733 |
| Monoisotopic Mass | 169.91500 |
| SMILES | O#[C][Ni]([C]#O)([C]#O)[C]#O |
| InChI | InChI=1S/4CO.Ni/c4*1-2; |
| InChIKey | AWDHUGLHGCVIEG-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) |
| tetracarbonylnickel (CHEBI:30372) has role NMR chemical shift reference compound (CHEBI:228364) |
| tetracarbonylnickel (CHEBI:30372) is a metal carbonyl (CHEBI:36604) |
| tetracarbonylnickel (CHEBI:30372) is a nickel coordination entity (CHEBI:35438) |
| IUPAC Names |
|---|
| tetracarbonylnickel |
| tetracarbonylnickel(0) |
| Synonyms | Source |
|---|---|
| [Ni(CO)4] | IUPAC |
| Nickel carbonyl | ChemIDplus |
| Nickel tetracarbonyl | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 138 | MolBase |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6122797 | Beilstein |
| Beilstein:6711606 | Beilstein |
| Gmelin:3135 | Gmelin |
| Gmelin:101586 | Gmelin |
| CAS:13463-39-3 | ChemIDplus |
| CAS:13463-39-3 | NIST Chemistry WebBook |