BMRB

Biological Magnetic Resonance Data Bank


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

EU-OPENSCREEN Compound 103130

EU-OPENSCREEN Compound 103130 bmse012381 - Data

EU-OPENSCREEN Compound 103130 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C8H15NO

Natural Isotopic Abundance Mass: 141.2108

Mono-Isotopic Molecular Masses:

  • C12N14: 141.115364105
  • C13N14: 149.14220280900003
  • C12N15: 142.112398998
  • C13N15: 150.13923770200003

InChI string: InChI=1S/C8H15NO/c1-8(5-9)4-6-2-3-7(8)10-6/h6-7H,2-5,9H2,1H3/t6-,7+,8-/m1/s1

EU-OPENSCREEN: EOS103130

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)