2-methylbutyl octanoate (CHEBI:180113)

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ChEBI Ontology

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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	2-methylbutyl octanoate

ChEBI ID	CHEBI:180113

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H26O2

Net Charge

Average Mass

214.349

Monoisotopic Mass

214.19328

InChI

InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3

InChIKey

XZLBJDGPIWDVIJ-UHFFFAOYSA-N

SMILES

O(CC(CC)C)C(=O)CCCCCCC

ChEBI Ontology
Outgoing	2-methylbutyl octanoate (CHEBI:180113) is a fatty acid ester (CHEBI:35748)

IUPAC Name

2-methylbutyl octanoate