BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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8-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine

8-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine synonyms

Wikipedia:

Graphical representations:

8-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine

View large 3D structure

Molecular Formula: C12H17NO2

Natural Isotopic Abundance Mass: 207.26887999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 207.125928789
  • C13N14: 219.16618684500006
  • C12N15: 208.122963682
  • C13N15: 220.16322173800006

InChI string: InChI=1S/C12H17NO2/c1-12(2)8-13-7-9-4-5-10(14-3)6-11(9)15-12/h4-6,13H,7-8H2,1-3H3

EU-OPENSCREEN: EOS103386

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)