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Lignin_cw_compound_191 synonyms

methyl (4-acetoxy-3,5-dimethoxy) benzoate


Graphical representations:

lignin_cw_compound_191 image

View large 3D structure

Molecular Formula: C12 H14 O6

Natural Isotopic Abundance Mass: 254.23596

Mono-Isotopic Molecular Masses:

  • C12N14: 254.079038182
  • C13N14: 266.1192962356
  • C12N15: 254.079038182
  • C13N15: 266.1192962356

InChI String: InChI=1S/C12H14O6/c1-7(13)18-11-9(15-2)5-8(12(14)17-4)6-10(11)16-3/h5-6H,1-4H3

Canonical and Isomeric SMILES: SMILES_STRING

methyl (4-acetoxy-3,5-dimethoxy) benzoate

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 191
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,