Biological Magnetic Resonance Data Bank

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

Biphenyl Methane

Biphenyl_methane synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C21H28O4

Natural Isotopic Abundance Mass: 344.44462

Mono-Isotopic Molecular Masses:

  • C12N14: 344.1987593872
  • C13N14: 365.269210981
  • C12N15: 344.1987593872
  • C13N15: 365.269210981

InChI string: InChI=1S/C21H28O4/c1-5-7-14-9-16(20(22)18(11-14)24-3)13-17-10-15(8-6-2)12-19(25-4)21(17)23/h9-12,22-23H,5-8,13H2,1-4H3

USDA_NMR_database: 283

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,