N-(2-phenylethyl)methanesulfonamide

N-(2-phenylethyl)methanesulfonamide bmse011655 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13NO2S

Natural Isotopic Abundance Mass: 199.27001999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 199.066699661
  • C13N14: 208.09689320300004
  • C12N15: 200.063734554
  • C13N15: 209.09392809600004

InChI string: InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

IUPAC: N-(2-phenylethyl)methanesulfonamide

wwPDB CCD: JFM

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)