propyl 3-oxo-2-phenylbutanoate

Properties Image MNX_ID MNXM1132472 reference metacycM:CPD-23627 formula C13H16O3 global charge 0 mol weight 220.268 InChIKey XWTUIDWAWWNRKQ-UHFFFAOYSA-N InChI InChI=1S/C13H16O3/c1-3-9-16-13(15)12(10(2)14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3 SMILES CCCOC(=O)C(C(C)=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C13H16O3/c1-3-9-16-13(15)12(10(2)14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3/t12? SMILES (mnx) [CH3:1][CH2:3][CH2:9][O:16][C:13]([CH:12]([C:10]([CH3:2])=[O:14])[C:11]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)=[O:15]

Parent-child relations graph

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