BMRB

Biological Magnetic Resonance Data Bank


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

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol bmse012042 - Data

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol synonyms

Wikipedia:

Graphical representations:

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol

View large 3D structure

Molecular Formula: C9H12FNO

Natural Isotopic Abundance Mass: 169.19608319999998

Mono-Isotopic Molecular Masses:

  • C12N14: 169.090292229
  • C13N14: 178.12048577100003
  • C12N15: 170.087327122
  • C13N15: 179.11752066400004

InChI string: InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1

IUPAC: b'(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol'

EU-OPENSCREEN: EOS102760

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)