BMRB

Biological Magnetic Resonance Data Bank


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

2-(2,4-dimethylphenoxy)-1-morpholin-4-ylethanone

2-(2,4-dimethylphenoxy)-1-morpholin-4-ylethanone bmse011347 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H19NO3

Natural Isotopic Abundance Mass: 249.30555999999982

Mono-Isotopic Molecular Masses:

  • C12N14: 249.136493473
  • C13N14: 263.1834612050003
  • C12N15: 250.133528366
  • C13N15: 264.18049609800033

InChI string: InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3

IUPAC: 2-(2,4-dimethylphenoxy)-1-morpholin-4-ylethanone

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)