BMRB

Biological Magnetic Resonance Data Bank


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

1,2,3,4-tetrahydroquinoline

1,2,3,4-tetrahydroquinoline bmse012027 - Data

1,2,3,4-tetrahydroquinoline synonyms

Wikipedia:

Graphical representations:

1,2,3,4-tetrahydroquinoline

View large 3D structure

Molecular Formula: C9H11N

Natural Isotopic Abundance Mass: 133.19034

Mono-Isotopic Molecular Masses:

  • C12N14: 133.089149357
  • C13N14: 142.11934289900003
  • C12N15: 134.08618425
  • C13N15: 143.11637779200004

InChI string: InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2

IUPAC: b'1,2,3,4-Tetrahydroquinoline'

EU-OPENSCREEN: EOS102744

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)