BMRB

Biological Magnetic Resonance Data Bank


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

4-hydroxybenzoic Acid

4-hydroxybenzoic Acid synonyms

Wikipedia:

Graphical representations:

4-hydroxybenzoic

View large 3D structure

Molecular Formula: C7H6O2

Natural Isotopic Abundance Mass: 122.12134

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0367794368
  • C13N14: 129.0602633014
  • C12N15: 122.0367794368
  • C13N15: 129.0602633014

InChI string: InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/f/h9H

USDA_NMR_database: 58

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)