BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1-(2-fluorophenyl)-2-methylpropan-2-ol

1-(2-fluorophenyl)-2-methylpropan-2-ol bmse012570 - Data

1-(2-fluorophenyl)-2-methylpropan-2-ol synonyms

Wikipedia:

Graphical representations:

1-(2-fluorophenyl)-2-methylpropan-2-ol

View large 3D structure

Molecular Formula: C10H13FO

Natural Isotopic Abundance Mass: 168.2080232

Mono-Isotopic Molecular Masses:

  • C12N14: 168.095043256
  • C13N14: 178.12859163600004
  • C12N15: 168.095043256
  • C13N15: 178.12859163600004

InChI string: InChI=1S/C10H13FO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3

EU-OPENSCREEN: EOS103368

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)