Vanillic Acid Methyl Ester

Vanillic Acid Methyl Ester bmse010226 - Data

Vanillic_acid_methyl_ester synonyms

methyl (3-methoxy-4-hydroxy)benzoate

Wikipedia:

Graphical representations:

Vanillic_acid_methyl_ester

View large 3D structure

Molecular Formula: C9H10O4

Natural Isotopic Abundance Mass: 182.1733

Mono-Isotopic Molecular Masses:

  • C12N14: 182.0579088094
  • C13N14: 191.0881023496
  • C12N15: 182.0579088094
  • C13N15: 191.0881023496

InChI string: InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3

USDA_NMR_database: 65
PDB Compound ID: VXX

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)