BMRB

Biological Magnetic Resonance Data Bank


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

Diphenylacetic Acid

Graphical representations:

diphenylacetic acid image

Molecular Formula: C14 H12 O2

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)

canonical and isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2,2-diphenylacetic acid

PUBCHEM iupac SYSTEMATIC NAME
2,2-diphenylethanoic acid

PubChem Substance (SID):   111677853   10430245   24893604
PubChem Compound (CID):   8333
KEGG: Compound ID   D204307_ALDRICH
CAS Registry IDs:   n/a
PDB Chemical Component   DFA
Miscellaneous Databases and IDs:   Sigma-Aldrich D204307_ALDRICH   NIST 2637415509   MMCD cq_12866   MDL MFCD00004251

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.