BMRB

Biological Magnetic Resonance Data Bank


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

(3S)-3-ethyl-2,3-dihydro-1H-indole

(3S)-3-ethyl-2,3-dihydro-1H-indole bmse012342 - Data

(3S)-3-ethyl-2,3-dihydro-1H-indole synonyms

Wikipedia:

Graphical representations:

(3S)-3-ethyl-2,3-dihydro-1H-indole

View large 3D structure

Molecular Formula: C10H13N

Natural Isotopic Abundance Mass: 147.21692

Mono-Isotopic Molecular Masses:

  • C12N14: 147.104799421
  • C13N14: 157.13834780100004
  • C12N15: 148.101834314
  • C13N15: 158.13538269400004

InChI string: InChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-6,8,11H,2,7H2,1H3/t8-/m1/s1

EU-OPENSCREEN: EOS103089

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)