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-methoxy-N-propan-2-ylaniline

3-methoxy-N-propan-2-ylaniline bmse012061 - Data

3-methoxy-N-propan-2-ylaniline synonyms

Wikipedia:

Graphical representations:

3-methoxy-N-propan-2-ylaniline

View large 3D structure

Molecular Formula: C10H15NO

Natural Isotopic Abundance Mass: 165.2322

Mono-Isotopic Molecular Masses:

  • C12N14: 165.115364105
  • C13N14: 175.14891248500004
  • C12N15: 166.112398998
  • C13N15: 176.14594737800005

InChI string: InChI=1S/C10H15NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3

IUPAC: b'3-methoxy-N-propan-2-ylaniline'

EU-OPENSCREEN: EOS102781

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)