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-(phenoxymethyl)aniline

3-(phenoxymethyl)aniline bmse012067 - Data

3-(phenoxymethyl)aniline synonyms

Wikipedia:

Graphical representations:

3-(phenoxymethyl)aniline

View large 3D structure

Molecular Formula: C13H13NO

Natural Isotopic Abundance Mass: 199.24842000000004

Mono-Isotopic Molecular Masses:

  • C12N14: 199.099714041
  • C13N14: 212.14332693500006
  • C12N15: 200.096748934
  • C13N15: 213.14036182800007

InChI string: InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2

EU-OPENSCREEN: EOS102789

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)