BMRB

Biological Magnetic Resonance Data Bank


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

1H-indole

1H-indole bmse011874 - Data

1H-indole synonyms

Wikipedia:

Graphical representations:

1H-indole

View large 3D structure

Molecular Formula: C8H7N

Natural Isotopic Abundance Mass: 117.14788

Mono-Isotopic Molecular Masses:

  • C12N14: 117.057849229
  • C13N14: 125.08468793300003
  • C12N15: 118.054884122
  • C13N15: 126.08172282600003

InChI string: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

IUPAC: b'1H-Indole'

BMRB Ligand Expo: IND
EU-OPENSCREEN: EOS102577

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)