Anisole

Anisole bmse010217 - Data

Anisole synonyms

Methoxybenzene

Wikipedia:

Graphical representations:

Anisole

View large 3D structure

Molecular Formula: C7H8O

Natural Isotopic Abundance Mass: 108.13782

Mono-Isotopic Molecular Masses:

  • C12N14: 108.0575148789
  • C13N14: 115.0809987435
  • C12N15: 108.0575148789
  • C13N15: 115.0809987435

InChI string: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

USDA_NMR_database: 54

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)