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CHEBI:179751 - 2-Heptyl butyrate

ChEBI IDCHEBI:179751
ChEBI Name2-Heptyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCC(C)OC(=O)CCC
InChIInChI=1S/C11H22O2/c1-4-6-7-9-10(3)13-11(12)8-5-2/h10H,4-9H2,1-3H3
InChIKeyGTKUPJHQSAPWLL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Heptyl butyrate (CHEBI:179751) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
heptan-2-yl butanoate
Manual XrefsDatabases
461456ChemSpider
Registry NumbersSources
CAS:39026-94-3ChemIDplus