Terminology Service for NFDI4Health
phenethyl isobutyrate
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http://purl.obolibrary.org/obo/CHEBI_87409
A carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid.
Term info
Label
phenethyl isobutyrate
Synonyms
- 2-phenylethyl 2-methylpropanoate
Subsets
3_STAR
charge
0
formula
C12H16O2
has obo namespace
chebi_ontology
has related synonym
beta-phenylethyl isobutyrate, benzylcarbinol isobutyrate
id
CHEBI:87409
inchi
InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
inchikey
JDQVBGQWADMTAM-UHFFFAOYSA-N
mass
192.25420
monoisotopicmass
192.11503
smiles
CC(C)C(=O)OCCc1ccccc1
Term relations
Subclass of:
- carboxylic ester
- has functional parent some isobutyric acid
- has role some metabolite
- has functional parent some 2-phenylethanol