BMRB

Biological Magnetic Resonance Data Bank


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

4-[(2-methylpropan-2-yl)oxy]piperidine

4-[(2-methylpropan-2-yl)oxy]piperidine bmse012348 - Data

4-[(2-methylpropan-2-yl)oxy]piperidine synonyms

Wikipedia:

Graphical representations:

4-[(2-methylpropan-2-yl)oxy]piperidine

View large 3D structure

Molecular Formula: C9H19NO

Natural Isotopic Abundance Mass: 157.25325999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 157.146664233
  • C13N14: 166.17685777500003
  • C12N15: 158.143699126
  • C13N15: 167.17389266800004

InChI string: InChI=1S/C9H19NO/c1-9(2,3)11-8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3

IUPAC: b'4-[(2-methylpropan-2-yl)oxy]piperidine'

EU-OPENSCREEN: EOS103095

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)