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CHEBI:82027 - Oxabetrinil

Default Structure
ChEBI IDCHEBI:82027
ChEBI NameOxabetrinil
Stars
DownloadsMolfile
FormulaC12H12N2O3
Net Charge0
Average Mass232.239
Monoisotopic Mass232.08479
SMILESN#C/C(=N/OCC1OCCO1)c1ccccc1
InChIInChI=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-
InChIKeyWFVUIONFJOAYPK-KAMYIIQDSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxabetrinil (CHEBI:82027) is a nitrile (CHEBI:18379)
Manual XrefsDatabases
C18878KEGG COMPOUND
Registry NumbersSources
CAS:74782-23-3KEGG COMPOUND