CHEBI:179748 - Isobutyl octanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isobutyl octanoate
ChEBI ID CHEBI:179748
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H24O2
Net Charge 0
Average Mass 200.322
Monoisotopic Mass 200.17763
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChIKey CFQRBRGFNFRMBD-UHFFFAOYSA-N
SMILES O(CC(C)C)C(=O)CCCCCCC
ChEBI Ontology
Outgoing Isobutyl octanoate (CHEBI:179748) is a fatty acid ester (CHEBI:35748)
IUPAC Name
2-methylpropyl octanoate
Manual Xrefs Databases
71890 ChemSpider
HMDB0059868 HMDB
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Registry Number Type Source
5461-06-3 CAS Registry Number ChemIDplus