Methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate

Methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate bmse011358 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H14N2O2

Natural Isotopic Abundance Mass: 242.27315999999985

Mono-Isotopic Molecular Masses:

  • C12N14: 242.105527698
  • C13N14: 256.1524954300001
  • C12N15: 244.09959748400001
  • C13N15: 258.14656521600017

InChI string: InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)

IUPAC: methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate

wwPDB CCD: UVD

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)