EMBL-EBI | Chemical Biology | ChEBI
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| Formula | 4C2H3N.ClO4.Cu |
| Net Charge | 0 |
| Average Mass | 327.207 |
| Monoisotopic Mass | 325.98431 |
| SMILES | CC#N.CC#N.CC#N.CC#N.O=Cl(=O)(=O)[O-].[Cu+] |
| InChI | InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1 |
| InChIKey | FXYIJMLSVDZYOJ-UHFFFAOYSA-M |
| 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. |
| Biological Role: | nutrient A nutrient is a food component that an organism uses to survive and grow. |
| 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) |
| Cu(MeCN)4ClO4 (CHEBI:231503) has role NMR chemical shift reference compound (CHEBI:228364) |
| Cu(MeCN)4ClO4 (CHEBI:231503) is a organic copper salt (CHEBI:190415) |