BMRB

Biological Magnetic Resonance Data Bank


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

N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

NMR Quality Control Of Fragment Libraries For Screening synonyms

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Graphical representations:

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Molecular Formula: C13H18N2O2

Natural Isotopic Abundance Mass: 234.29421999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 234.136827826
  • C13N14: 247.18044072000006
  • C12N15: 236.130897612
  • C13N15: 249.17451050600008

InChI string: InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)

wwPDB CCD: RV4

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)