Ionone(8013-90-9) MS
Molecular FormulaC13H20O
Molecular Weight192.3
InChIInChI=1S/2C13H20O/c2*1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3;6-8,12H,5,9H2,1-4H3/b2*8-7+
InChIKey SNQUZWOWPZQUQF-ONYUMSKCSA-N
SmilesC1(/C=C/C(C)=O)C(C)=CCCC1(C)C.C1(/C=C/C(=O)C)=C(C)CCCC1(C)C