bmse011538 NMR Quality Control Of Fragment Libraries For Screening at BMRB

Ethyl Morpholine-4-carboxylate

Ethyl Morpholine-4-carboxylate bmse011538 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

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Molecular Formula: C7H13NO3

Natural Isotopic Abundance Mass: 159.18301999999989

Mono-Isotopic Molecular Masses:

C12N14: 159.089543281
C13N14: 166.11302714700003
C12N15: 160.086578174
C13N15: 167.11006204000003

InChI string: InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3

IUPAC: ethyl morpholine-4-carboxylate

wwPDB CCD: UVM

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)