1-methanesulfonamidocyclohexane-1-carboxylic Acid

1-methanesulfonamidocyclohexane-1-carboxylic Acid bmse011197 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H15NO4S

Natural Isotopic Abundance Mass: 221.27399999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 221.072178965
  • C13N14: 229.09901766900003
  • C12N15: 222.069213858
  • C13N15: 230.09605256200004

InChI string: InChI=1S/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)

IUPAC: 1-methanesulfonamidocyclohexane-1-carboxylic acid

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)