CHEBI:173835 - Isopropyl phenylacetate

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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 Isopropyl phenylacetate
ChEBI ID CHEBI:173835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H14O2
Net Charge 0
Average Mass 178.231
Monoisotopic Mass 178.09938
InChI InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey SSMBXPJYHMZLOJ-UHFFFAOYSA-N
SMILES O(C(C)C)C(=O)CC1=CC=CC=C1
ChEBI Ontology
Outgoing Isopropyl phenylacetate (CHEBI:173835) is a benzenes (CHEBI:22712)
IUPAC Name
propan-2-yl 2-phenylacetate
Manual Xrefs Databases
56320 ChemSpider
HMDB0040426 HMDB
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Registry Number Type Source
4861-85-2 CAS Registry Number ChemIDplus