BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane synonyms

Eucalyptol

Wikipedia:

Graphical representations:

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

View large 3D structure

Molecular Formula: C10H18O

Natural Isotopic Abundance Mass: 154.24932

Mono-Isotopic Molecular Masses:

  • C12N14: 154.135765196
  • C13N14: 164.169313576
  • C12N15: 154.135765196
  • C13N15: 164.169313576

InChI string: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+

MMCD: cq_06514
PubChem Compound (CID): 2758

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)