BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

3-cyano-N-[(4-fluorophenyl)methyl]benzamide

3-cyano-N-[(4-fluorophenyl)methyl]benzamide bmse012295 - Data

3-cyano-N-[(4-fluorophenyl)methyl]benzamide synonyms

Wikipedia:

Graphical representations:

3-cyano-N-[(4-fluorophenyl)methyl]benzamide

View large 3D structure

Molecular Formula: C15H11FN2O

Natural Isotopic Abundance Mass: 254.25904319999995

Mono-Isotopic Molecular Masses:

  • C12N14: 254.085541202
  • C13N14: 269.13586377200005
  • C12N15: 256.079610988
  • C13N15: 271.12993355800006

InChI string: InChI=1S/C15H11FN2O/c16-14-6-4-11(5-7-14)10-18-15(19)13-3-1-2-12(8-13)9-17/h1-8H,10H2,(H,18,19)

EU-OPENSCREEN: EOS103038

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)