5-chloro-2-methoxy-N-(2-methylpropyl)benzamide

5-chloro-2-methoxy-N-(2-methylpropyl)benzamide bmse011345 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

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Graphical representations:

NMR

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Molecular Formula: C12H16ClNO2

Natural Isotopic Abundance Mass: 241.71393999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 241.086956437
  • C13N14: 253.12721449300005
  • C12N15: 242.08399133
  • C13N15: 254.12424938600006

InChI string: InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)

wwPDB CCD: HR8

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)