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CHEBI:179876 - Isopropyl hexanoate

ChEBI IDCHEBI:179876
ChEBI NameIsopropyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCC(=O)OC(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
InChIKeyJSHDAORXSNJOBA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropyl hexanoate (CHEBI:179876) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
propan-2-yl hexanoate
Manual XrefsDatabases
15951ChemSpider
HMDB0040430HMDB
LMFA07010676LIPID MAPS
Registry NumbersSources
CAS:2311-46-8ChemIDplus