1-Phenylethyl isobutyrate

Properties Image MNX_ID MNXM116043 reference chebi:179913 formula C12H16O2 global charge 0 mol weight 192.258 InChIKey JZCCYSDOUYQZMW-UHFFFAOYSA-N InChI InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3 SMILES CC(C)C(=O)OC(C)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3/t10? SMILES (mnx) [CH3:1][CH:9]([CH3:2])[C:12](=[O:13])[O:14][CH:10]([CH3:3])[C:11]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0