Methyl Sinapate

Methyl Sinapate bmse000589 - Data bmse010221 - Data

Methyl_sinapate synonyms

Antithiamine factor; Methyl sinapate; 3,5-Dimethoxy-4-hydroxy cinnamic acid methyl ester

Wikipedia:

Graphical representations:

methyl_sinapate

View large 3D structure

Molecular Formula: C12H14O5

Natural Isotopic Abundance Mass: 238.23656

Mono-Isotopic Molecular Masses:

  • C12N14: 238.0841235599
  • C13N14: 250.1243816135
  • C12N15: 238.0841235599
  • C13N15: 250.1243816135

InChI string: InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+

PubChem Compound (CID): 5321318
CAS Registry number: 20733-94-2
ChemIDplus: 020733942
ChemSpider: 4479104

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)