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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:82027 - Oxabetrinil
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ChEBI Ontology
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ChEBI Name
Oxabetrinil
ChEBI ID
CHEBI:82027
Stars
This entity has been manually annotated by a third party.
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Formula
C12H12N2O3
Net Charge
0
Average Mass
232.23530
Monoisotopic Mass
232.08479
InChI
InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11-
InChIKey
WFVUIONFJOAYPK-KAMYIIQDSA-N
SMILES
N#C\C(c1ccccc1)=N\OCC1OCCO1
ChEBI Ontology
Outgoing
Oxabetrinil (
CHEBI:82027
)
is a
nitrile (
CHEBI:18379
)
Manual Xref
Database
C18878
KEGG COMPOUND
View more database links
Registry Number
Type
Source
74782-23-3
CAS Registry Number
KEGG COMPOUND