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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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CHEBI:30251 - pentacarbonyliron
Main
ChEBI Ontology
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ChEBI Name
pentacarbonyliron
ChEBI ID
CHEBI:30251
Stars
This entity has been manually annotated by the ChEBI Team.
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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