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 103301

EU-OPENSCREEN Compound 103301 bmse012523 - Data

EU-OPENSCREEN Compound 103301 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C15H25NO

Natural Isotopic Abundance Mass: 235.3651

Mono-Isotopic Molecular Masses:

  • C12N14: 235.193614425
  • C13N14: 250.24393699500007
  • C12N15: 236.190649318
  • C13N15: 251.24097188800008

InChI string: InChI=1S/C15H25NO/c1-5-15(6-1)9-13(10-15)16-12-4-7-17-14(8-12)11-2-3-11/h11-14,16H,1-10H2/t12-,14+/m1/s1

EU-OPENSCREEN: EOS103301

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)