BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Syringic Acid Methyl Ester

Syringic_acid_methyl_ester synonyms

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

Wikipedia:

Graphical representations:

Syringic_acid_methyl_ester

View large 3D structure

Molecular Formula: C10H12O5

Natural Isotopic Abundance Mass: 212.19928

Mono-Isotopic Molecular Masses:

  • C12N14: 212.0684734957
  • C13N14: 222.1020218737
  • C12N15: 212.0684734957
  • C13N15: 222.1020218737

InChI string: InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3

USDA_NMR_database: 64
PDB Compound ID: SYR

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)