(2S)-2-acetamido-2-(oxan-4-yl)acetic Acid

(2S)-2-acetamido-2-(oxan-4-yl)acetic Acid bmse011155 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H15NO4

Natural Isotopic Abundance Mass: 201.21969999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 201.100107965
  • C13N14: 210.13030150700004
  • C12N15: 202.097142858
  • C13N15: 211.12733640000005

InChI string: InChI=1S/C9H15NO4/c1-6(11)10-8(9(12)13)7-2-4-14-5-3-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m0/s1

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)