4-(2-phenylsulfanylethyl)morpholine

4-(2-phenylsulfanylethyl)morpholine bmse011647 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H17NOS

Natural Isotopic Abundance Mass: 223.33447999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 223.103085169
  • C13N14: 235.14334322500005
  • C12N15: 224.100120062
  • C13N15: 236.14037811800006

InChI string: InChI=1S/C12H17NOS/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h1-5H,6-11H2

IUPAC: 4-(2-phenylsulfanylethyl)morpholine

wwPDB CCD: JJG

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)