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 bmse000444 - Data bmse010010 - Data

4-hydroxy-3-methoxybenzyl synonyms

Vanillyl alcohol; 4-Hydroxy-3-methoxy-benzenemethanol; 4-(Hydroxymethyl)-2-methoxyphenol; 4-Hydroxy-3-methoxybenzyl alcohol; 4-hydroxy-3-methoxy-benzenemethanol; 4-Hydroxy-3-methoxyphenylmethanol; 3-Methoxy-4-hydroxybenzyl alcohol; Vanillin alcohol; Vanillic alcohol; 4-HYDROXY-3-METHOXY-BENZYL ALCOHOL; 4-Hydroxy-3-methoxybenzenemethanol

Wikipedia:

Graphical representations:

4-hydroxy-3-methoxybenzyl

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

PubChem Compound (CID): 62348
CAS Registry number: 498-00-0
Sigma-Aldrich: 55570_FLUKA
ChEBI: CHEBI:18353
ChemIDplus: 000498000
ChemSpider: 56139
EINECS: 207-852-4
CambridgeSoft Corporation: 10088
ZINC: ZINC00164388
UM-BBD: c0588
KEGG Compound ID: C06317
ChemDB: 4734582
NIST Chemistry WebBook: 869742710

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)