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CHEBI:179878 - 3-Heptyl acetate

ChEBI IDCHEBI:179878
ChEBI Name3-Heptyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCC(CC)OC(C)=O
InChIInChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
InChIKeyQICIMADZMWGDTQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Heptyl acetate (CHEBI:179878) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
heptan-3-yl acetate
Manual XrefsDatabases
468212ChemSpider
HMDB0032309HMDB
Registry NumbersSources
CAS:5921-83-5ChemIDplus