Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3,4-Dimethoxybenzyl alcohol

3,4-Dimethoxybenzyl alcohol synonyms

3,4-Dimethoxybenzyl alcohol


Graphical representations:

3,4-Dimethoxybenzyl alcohol image

Molecular Formula: C9 H12 O3

Natural Isotopic Abundance Mass: 168.18978

Mono-Isotopic Molecular Masses:

  • C12N14: 168.0786442515
  • C13N14: 177.1088377917
  • C12N15: 168.0786442515
  • C13N15: 177.1088377917

InCHi String: InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3

Canonical and Isomeric SMILES: COC1=C(C=C(C=C1)CO)OC

3,4-Dimethoxybenzyl alcohol

PubChem Substance (SID):   111677930
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 5
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.