N-methyl-4-(methylsulfonylmethyl)benzamide

N-methyl-4-(methylsulfonylmethyl)benzamide bmse011049 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H13NO3S

Natural Isotopic Abundance Mass: 227.2801199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 227.061614281
  • C13N14: 237.09516266100005
  • C12N15: 228.058649174
  • C13N15: 238.09219755400005

InChI string: InChI=1S/C10H13NO3S/c1-11-10(12)9-5-3-8(4-6-9)7-15(2,13)14/h3-6H,7H2,1-2H3,(H,11,12)

IUPAC: N-methyl-4-(methylsulfonylmethyl)benzamide

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)