4-(phenylmethoxy)benzoic Acid

4-(phenylmethoxy)benzoic Acid bmse011433 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H12O3

Natural Isotopic Abundance Mass: 228.24327999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 228.078644244
  • C13N14: 242.12561197600007
  • C12N15: 228.078644244
  • C13N15: 242.12561197600007

InChI string: InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

IUPAC: 4-(phenylmethoxy)benzoic acid

wwPDB CCD: 02S

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, https://www.nature.com/articles/sdata201773)