Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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4-Allyl-2,6-dimethoxyphenol synonyms



Graphical representations:

4-Allyl-2,6-dimethoxyphenol image

View large 3D structure

Molecular Formula: C11 H14 O3

Natural Isotopic Abundance Mass: 194.22706

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0942943157
  • C13N14: 205.1311975315
  • C12N15: 194.0942943157
  • C13N15: 205.1311975315

InChI String: InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3

Canonical and Isomeric SMILES: C=CCC1=CC(=C(C(=C1)OC)O)OC


PubChem Substance (SID):   111677948
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 114
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,