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CHEBI:180099 - octyl 3-methyl-butanoate

ChEBI IDCHEBI:180099
ChEBI Nameoctyl 3-methyl-butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCCOC(=O)CC(C)C
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3
InChIKeyFUBGRVHGQADOJI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
octyl 3-methyl-butanoate (CHEBI:180099) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
octyl 3-methylbutanoate
Manual XrefsDatabases
199135ChemSpider
HMDB0034140HMDB
LMFA07010512LIPID MAPS
Registry NumbersSources
CAS:7786-58-5ChemIDplus