BMRB

Biological Magnetic Resonance Data Bank


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

3-methyl-5-(trifluoromethyl)-1,2-oxazole

3-methyl-5-(trifluoromethyl)-1,2-oxazole bmse012528 - Data

3-methyl-5-(trifluoromethyl)-1,2-oxazole synonyms

Wikipedia:

Graphical representations:

3-methyl-5-(trifluoromethyl)-1,2-oxazole

View large 3D structure

Molecular Formula: C5H4F3NO

Natural Isotopic Abundance Mass: 151.08656960000002

Mono-Isotopic Molecular Masses:

  • C12N14: 151.024498413
  • C13N14: 156.041272603
  • C12N15: 152.021533306
  • C13N15: 157.03830749600002

InChI string: InChI=1S/C5H4F3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3

IUPAC: b'3-methyl-5-(trifluoromethyl)-1,2-oxazole'

EU-OPENSCREEN: EOS103307

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)