CHEBI:165206 - Hexyl benzoate

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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 Hexyl benzoate
ChEBI ID CHEBI:165206
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H18O2
Net Charge 0
Average Mass 206.285
Monoisotopic Mass 206.13068
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UUGLJVMIFJNVFH-UHFFFAOYSA-N
SMILES O(CCCCCC)C(=O)C1=CC=CC=C1
ChEBI Ontology
Outgoing Hexyl benzoate (CHEBI:165206) is a benzoate ester (CHEBI:36054)
IUPAC Name
hexyl benzoate
Manual Xrefs Databases
21738 ChemSpider
C14716 KEGG COMPOUND
HMDB0040431 HMDB
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Registry Number Type Source
6789-88-4 CAS Registry Number ChemIDplus