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CHEBI:179748 - Isobutyl octanoate

ChEBI IDCHEBI:179748
ChEBI NameIsobutyl octanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24O2
Net Charge0
Average Mass200.322
Monoisotopic Mass200.17763
SMILESCCCCCCCC(=O)OCC(C)C
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChIKeyCFQRBRGFNFRMBD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isobutyl octanoate (CHEBI:179748) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylpropyl octanoate
Manual XrefsDatabases
71890ChemSpider
HMDB0059868HMDB
Registry NumbersSources
CAS:5461-06-3ChemIDplus