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


Graphical representations:


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Molecular Formula: C13H19NO

Natural Isotopic Abundance Mass: 205.2960599999998

Mono-Isotopic Molecular Masses:

  • C12N14: 205.146664233
  • C13N14: 218.19027712700006
  • C12N15: 206.143699126
  • C13N15: 219.18731202000006

InChI string: InChI=1S/C13H19NO/c15-13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h6-9,12,14-15H,1-5,10H2

IUPAC: 4-[(cyclohexylamino)methyl]phenol

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,