CHEBI:30251 - pentacarbonyliron

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ChEBI Name pentacarbonyliron
ChEBI ID CHEBI:30251
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5FeO5
Net Charge 0
Average Mass 195.89550
Monoisotopic Mass 195.90951
InChI InChI=1S/5CO.Fe/c5*1-2;
InChIKey FYOFOKCECDGJBF-UHFFFAOYSA-N
SMILES [O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]
Roles Classification
Chemical Role(s): NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
Application(s): NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
[Fe(CO)5] IUPAC
iron pentacarbonyl NIST Chemistry WebBook
Manual Xref Database
49 MolBase
View more database links
Registry Numbers Types Sources
13463-40-6 CAS Registry Number NIST Chemistry WebBook
13463-40-6 CAS Registry Number ChemIDplus
3567 Gmelin Registry Number Gmelin
3568 Gmelin Registry Number Gmelin
Last Modified
31 January 2024