(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride bmse011122 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C12H17ClN2O

Natural Isotopic Abundance Mass: 240.72917999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 240.102940854
  • C13N14: 252.14319891000005
  • C12N15: 242.09701064
  • C13N15: 254.13726869600006

InChI string: InChI=1S/C12H16N2O.ClH/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10;/h2-6,10,13H,7-9H2,1H3;1H/t10-;/m0./s1

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)