CHEBI:179876 - Isopropyl hexanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isopropyl hexanoate
ChEBI ID CHEBI:179876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
InChIKey JSHDAORXSNJOBA-UHFFFAOYSA-N
SMILES O(C(C)C)C(=O)CCCCC
ChEBI Ontology
Outgoing Isopropyl hexanoate (CHEBI:179876) is a fatty acid ester (CHEBI:35748)
IUPAC Name
propan-2-yl hexanoate
Manual Xrefs Databases
15951 ChemSpider
HMDB0040430 HMDB
LMFA07010676 LIPID MAPS
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Registry Number Type Source
2311-46-8 CAS Registry Number ChemIDplus