Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Phenyl Benzoate

Phenyl_benzoate synonyms

Benzoic acid phenyl ester


Graphical representations:


View large 3D structure

Molecular Formula: C13H10O2

Natural Isotopic Abundance Mass: 198.2173

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0680795652
  • C13N14: 211.1116924566
  • C12N15: 198.0680795652
  • C13N15: 211.1116924566

InChI string: InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

USDA_NMR_database: 93

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,