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 102509

EU-OPENSCREEN Compound 102509 bmse011809 - Data

EU-OPENSCREEN Compound 102509 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C15H22N2O2

Natural Isotopic Abundance Mass: 262.34738

Mono-Isotopic Molecular Masses:

  • C12N14: 262.168127954
  • C13N14: 277.21845052400005
  • C12N15: 264.16219774
  • C13N15: 279.21252031000006

InChI string: InChI=1S/C15H22N2O2/c1-3-17(4-2)15(18)16-13-9-7-11-19-14-10-6-5-8-12(13)14/h5-6,8,10,13H,3-4,7,9,11H2,1-2H3,(H,16,18)/t13-/m0/s1

EU-OPENSCREEN: EOS102509

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)