BMRB

Biological Magnetic Resonance Data Bank


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

2,2-dimethyl-1H-quinoline

2,2-dimethyl-1H-quinoline bmse012026 - Data

2,2-dimethyl-1H-quinoline synonyms

Wikipedia:

Graphical representations:

2,2-dimethyl-1H-quinoline

View large 3D structure

Molecular Formula: C11H13N

Natural Isotopic Abundance Mass: 159.22762

Mono-Isotopic Molecular Masses:

  • C12N14: 159.104799421
  • C13N14: 170.14170263900004
  • C12N15: 160.101834314
  • C13N15: 171.13873753200005

InChI string: InChI=1S/C11H13N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3

IUPAC: b'2,2-dimethyl-1H-quinoline'

EU-OPENSCREEN: EOS102743

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)