3-Phenylpropyl isovalerate

Properties Image MNX_ID MNXM117617 reference chebi:191497 formula C14H20O2 global charge 0 mol weight 220.312 InChIKey LBNFCOMOXOWXCD-UHFFFAOYSA-N InChI InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 SMILES CC(C)CC(=O)OCCCC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[CH2:11][C:14](=[O:15])[O:16][CH2:10][CH2:6][CH2:9][C:13]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1

Parent-child relations graph

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