Biological Magnetic Resonance Data Bank

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


NMR Quality Control Of Fragment Libraries For Screening synonyms


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Molecular Formula: C14H17N

Natural Isotopic Abundance Mass: 199.2914799999998

Mono-Isotopic Molecular Masses:

  • C12N14: 199.136099549
  • C13N14: 213.18306728100006
  • C12N15: 200.133134442
  • C13N15: 214.18010217400007

InChI string: InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2

IUPAC: 1-(3-phenylprop-2-ynyl)piperidine

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,