Vanillin 1,2-butylene glycol acetal

Properties Image MNX_ID MNXM145251 reference chebi:174151 formula C12H16O4 global charge 0 mol weight 224.256 InChIKey JZJHVHUFPUYAJF-UHFFFAOYSA-N InChI InChI=1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3 SMILES COC1=C(O)C=CC(C2OC(C)C(C)O2)=C1 MNX internals InChI (mnx) InChI=1/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3/t7?,8?,12? SMILES (mnx) [CH3:1][CH:7]1[CH:8]([CH3:2])[O:16][CH:12]([C:9]2=[CH:6][C:11]([O:14][CH3:3])=[C:10]([OH:13])[CH:5]=[CH:4]2)[O:15]1

Parent-child relations graph

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