CHEBI:174094 - 2-Phenylethyl 2-furancarboxylate

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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 2-Phenylethyl 2-furancarboxylate
ChEBI ID CHEBI:174094
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H12O3
Net Charge 0
Average Mass 216.236
Monoisotopic Mass 216.07864
InChI InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKey QKPSYARWSBJEDY-UHFFFAOYSA-N
SMILES O(CCC1=CC=CC=C1)C(=O)C=2OC=CC2
ChEBI Ontology
Outgoing 2-Phenylethyl 2-furancarboxylate (CHEBI:174094) has functional parent 2-furoic acid (CHEBI:30845)
2-Phenylethyl 2-furancarboxylate (CHEBI:174094) is a carboxylic ester (CHEBI:33308)
IUPAC Name
2-phenylethyl uran-2-carboxylate
Synonym Source
LV2018000 ChEBI
Manual Xrefs Databases
220359 ChemSpider
HMDB0037723 HMDB
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Registry Number Type Source
7149-32-8 CAS Registry Number ChemIDplus
Last Modified
14 March 2023