2-methylbutyl butanoate (CHEBI:156490)

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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 butanoate

ChEBI ID	CHEBI:156490

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C9H18O2

Net Charge

Average Mass

158.241

Monoisotopic Mass

158.13068

InChI

InChI=1S/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

MBZKQDXXFMITAC-UHFFFAOYSA-N

SMILES

CCC(COC(CCC)=O)C

ChEBI Ontology
Outgoing	2-methylbutyl butanoate (CHEBI:156490) has functional parent 2-methylbutan-1-ol (CHEBI:48945) 2-methylbutyl butanoate (CHEBI:156490) is a butyrate ester (CHEBI:50477)

Synonym	Source
2-methylbutyl butanoate	UniProt