CHEBI:179906 - 3-Phenylpropyl propanoate

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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 3-Phenylpropyl propanoate
ChEBI ID CHEBI:179906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey GTNCESCYZPMXCJ-UHFFFAOYSA-N
SMILES O(CCCC1=CC=CC=C1)C(=O)CC
ChEBI Ontology
Outgoing 3-Phenylpropyl propanoate (CHEBI:179906) is a benzenes (CHEBI:22712)
IUPAC Name
3-phenylpropyl propanoate
Manual Xrefs Databases
55011 ChemSpider
HMDB0036388 HMDB
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Registry Number Type Source
122-74-7 CAS Registry Number ChemIDplus