BMRB

Biological Magnetic Resonance Data Bank


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

2-[2-(trifluoromethyl)phenyl]ethanol

2-[2-(trifluoromethyl)phenyl]ethanol bmse012575 - Data

2-[2-(trifluoromethyl)phenyl]ethanol synonyms

Wikipedia:

Graphical representations:

2-[2-(trifluoromethyl)phenyl]ethanol

View large 3D structure

Molecular Formula: C9H9F3O

Natural Isotopic Abundance Mass: 190.16236959999998

Mono-Isotopic Molecular Masses:

  • C12N14: 190.060549568
  • C13N14: 199.09074311000003
  • C12N15: 190.060549568
  • C13N15: 199.09074311000003

InChI string: InChI=1S/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2

IUPAC: b'2-[2-(trifluoromethyl)phenyl]ethanol'

EU-OPENSCREEN: EOS103374

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)