BMRB

Biological Magnetic Resonance Data Bank


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

1,3-benzoxazol-6-amine

1,3-benzoxazol-6-amine bmse012413 - Data

1,3-benzoxazol-6-amine synonyms

Wikipedia:

Graphical representations:

1,3-benzoxazol-6-amine

View large 3D structure

Molecular Formula: C7H6N2O

Natural Isotopic Abundance Mass: 134.13533999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 134.048012822
  • C13N14: 141.07149668800002
  • C12N15: 136.04208260800002
  • C13N15: 143.06556647400004

InChI string: InChI=1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

IUPAC: b'1,3-Benzoxazol-6-amine'

EU-OPENSCREEN: EOS103166

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)