Biological Magnetic Resonance Data Bank

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

Graphical representations:


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Molecular Formula: C14H12O2

Natural Isotopic Abundance Mass: 212.24388

Mono-Isotopic Molecular Masses:

  • C12N14: 212.0837296294
  • C13N14: 226.1306973586
  • C12N15: 212.0837296294
  • C13N15: 226.1306973586

InChI string: InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

PubChem Compound (CID): 8333
Sigma-Aldrich: D204307_ALDRICH
KEGG Compound ID: D204307_ALDRICH
NIST: 2637415509
MMCD: cq_12866
MDL: MFCD00004251
PDB Compound ID: DFA

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,