CHEBI:173744 - Phenethyl salicylate

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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 Phenethyl salicylate
ChEBI ID CHEBI:173744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H14O3
Net Charge 0
Average Mass 242.274
Monoisotopic Mass 242.09429
InChI InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey YNMSDIQQNIRGDP-UHFFFAOYSA-N
SMILES O(CCC1=CC=CC=C1)C(=O)C=2C(O)=CC=CC2
ChEBI Ontology
Outgoing Phenethyl salicylate (CHEBI:173744) has functional parent salicylic acid (CHEBI:16914)
Phenethyl salicylate (CHEBI:173744) is a benzoate ester (CHEBI:36054)
Phenethyl salicylate (CHEBI:173744) is a phenols (CHEBI:33853)
IUPAC Name
2-phenylethyl 2-hydroxybenzoate
Manual Xrefs Databases
56124 ChemSpider
HMDB0035019 HMDB
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Registry Number Type Source
87-22-9 CAS Registry Number ChemIDplus