BMRB

Biological Magnetic Resonance Data Bank


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

5-methoxy-1H-indole

5-methoxy-1H-indole bmse012300 - Data

5-methoxy-1H-indole synonyms

Wikipedia:

Graphical representations:

5-methoxy-1H-indole

View large 3D structure

Molecular Formula: C9H9NO

Natural Isotopic Abundance Mass: 147.17386000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 147.068413913
  • C13N14: 156.09860745500004
  • C12N15: 148.065448806
  • C13N15: 157.09564234800004

InChI string: InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3

IUPAC: b'5-Methoxy-1H-indole'

BMRB Ligand Expo: BZ3
EU-OPENSCREEN: EOS103043

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)