CHEBI:179776 - Nonyl isovalerate

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ChEBI Name Nonyl isovalerate
ChEBI ID CHEBI:179776
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H28O2
Net Charge 0
Average Mass 228.376
Monoisotopic Mass 228.20893
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3
InChIKey JHKZVDVMXZGMOX-UHFFFAOYSA-N
SMILES O(CCCCCCCCC)C(=O)CC(C)C
ChEBI Ontology
Outgoing Nonyl isovalerate (CHEBI:179776) is a carboxylic ester (CHEBI:33308)
IUPAC Name
nonyl 3-methylbutanoate
Manual Xrefs Databases
4576435 ChemSpider
HMDB0038034 HMDB
LMFA07010977 LIPID MAPS
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Registry Number Type Source
7786-47-2 CAS Registry Number ChemIDplus