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-Hydroxy-3-methoxybenzyl Alcohol

4_hydroxy_3_methoxybenzyl_alcohol synonyms

Wikipedia:

Graphical representations:

4_hydroxy_3_methoxybenzyl_alcohol

View large 3D structure

Molecular Formula: C8H10O3

Natural Isotopic Abundance Mass: 154.1632

Mono-Isotopic Molecular Masses:

  • C12N14: 154.0629941873
  • C13N14: 162.0898328897
  • C12N15: 154.0629941873
  • C13N15: 162.0898328897

InChI string: InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3

USDA_NMR_database: 19

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)