Isophorone

Isophorone bmse001274 - Data

Isophorone synonyms

Wikipedia:

Graphical representations:

Isophorone

View large 3D structure

Molecular Formula: C9H14O

Natural Isotopic Abundance Mass: 138.20686

Mono-Isotopic Molecular Masses:

  • C12N14: 138.104465068
  • C13N14: 147.13465861
  • C12N15: 138.104465068
  • C13N15: 147.13465861

InChI string: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

IUPAC: 3,5,5-trimethylcyclohex-2-en-1-one

PubChem Compound (CID): 6544
NSC:

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)