3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide bmse011308 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H14ClNO2

Natural Isotopic Abundance Mass: 227.6873599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 227.071306373
  • C13N14: 238.10820959100005
  • C12N15: 228.068341266
  • C13N15: 239.10524448400005

InChI string: InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)

wwPDB CCD: JOV

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)