CHEBI:156348 - hexan-3-yl 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 hexan-3-yl benzoate
ChEBI ID CHEBI:156348
Definition Hexan-3-yl ester of benzoate.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C13H18O2
Net Charge 0
Average Mass 206.285
Monoisotopic Mass 206.13068
InChI InChI=1S/C13H18O2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKey ZUUPNDANIDMUPX-UHFFFAOYSA-N
SMILES C(CC)(OC(C=1C=CC=CC1)=O)CCC
ChEBI Ontology
Outgoing hexan-3-yl benzoate (CHEBI:156348) is a benzoate ester (CHEBI:36054)
Synonym Source
hexan-3-yl benzoate UniProt