N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide

N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide bmse011651 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14ClNO2

Natural Isotopic Abundance Mass: 239.69805999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 239.071306373
  • C13N14: 251.11156442900005
  • C12N15: 240.068341266
  • C13N15: 252.10859932200006

InChI string: InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1

wwPDB CCD: NTV

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)