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CHEBI:231508 - Zirconocene dichloride

ChEBI IDCHEBI:231508
ChEBI NameZirconocene dichloride
Stars
Last Modified6 June 2024
SubmitterNoura Rayya
DownloadsMolfile
FormulaC10H10Cl2Zr
Net Charge0
Average Mass292.320
Monoisotopic Mass289.92066
SMILES[Cl][Zr]([Cl])([CH]1C=CC=C1)[CH]1C=CC=C1
InChIInChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKeyQRUYYSPCOGSZGQ-UHFFFAOYSA-L
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)
Zirconocene dichloride (CHEBI:231508) has role NMR chemical shift reference compound (CHEBI:228364)
Zirconocene dichloride (CHEBI:231508) is a organochlorine compound (CHEBI:36683)
Zirconocene dichloride (CHEBI:231508) is a zirconium coordination entity (CHEBI:51001)