BMRB

Biological Magnetic Resonance Data Bank


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

1,4-oxazepane

1,4-oxazepane synonyms

Wikipedia:

Graphical representations:

1,4-oxazepane

View large 3D structure

Molecular Formula: C5H11NO

Natural Isotopic Abundance Mass: 101.14693999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 101.084063977
  • C13N14: 106.100838167
  • C12N15: 102.08109887
  • C13N15: 107.09787306000001

InChI string: InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2

IUPAC: b'1,4-oxazepane'

EU-OPENSCREEN: EOS103473

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)