Biological Magnetic Resonance Data Bank

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

Coniferyl Benzoate

Graphical representations:


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Molecular Formula: C17H16O4

Natural Isotopic Abundance Mass: 284.30654

Mono-Isotopic Molecular Masses:

  • C12N14: 284.104859002
  • C13N14: 301.1618912446
  • C12N15: 284.104859002
  • C13N15: 301.1618912446

InChI string: InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+

USDA_NMR_database: 2010

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,