CHEBI:179385 - Butyl heptanoate

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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 Butyl heptanoate
ChEBI ID CHEBI:179385
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H22O2
Net Charge 0
Average Mass 186.295
Monoisotopic Mass 186.16198
InChI InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
SMILES O(C(=O)CCCCCC)CCCC
ChEBI Ontology
Outgoing Butyl heptanoate (CHEBI:179385) is a fatty acid ester (CHEBI:35748)
IUPAC Name
butyl heptanoate
Manual Xrefs Databases
20298 ChemSpider
HMDB0041559 HMDB
LMFA07010794 LIPID MAPS
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Registry Number Type Source
5454-28-4 CAS Registry Number ChemIDplus