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CHEBI:179776 - Nonyl isovalerate

ChEBI IDCHEBI:179776
ChEBI NameNonyl isovalerate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28O2
Net Charge0
Average Mass228.376
Monoisotopic Mass228.20893
SMILESCCCCCCCCCOC(=O)CC(C)C
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChIKeyJHKZVDVMXZGMOX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nonyl isovalerate (CHEBI:179776) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
nonyl 3-methylbutanoate
Manual XrefsDatabases
4576435ChemSpider
HMDB0038034HMDB
LMFA07010977LIPID MAPS
Registry NumbersSources
CAS:7786-47-2ChemIDplus