Beta-Ionone

Beta-Ionone bmse001269 - Data

Beta-Ionone synonyms

Wikipedia:

Graphical representations:

beta-Ionone

View large 3D structure

Molecular Formula: C13H20O

Natural Isotopic Abundance Mass: 192.2973

Mono-Isotopic Molecular Masses:

  • C12N14: 192.15141526
  • C13N14: 205.195028154
  • C12N15: 192.15141526
  • C13N15: 205.195028154

InChI string: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

IUPAC: 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one

BMRB Ligand Expo: ID3
PubChem Compound (CID): 26955

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)