Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Syringic Acid

Graphical representations:


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Molecular Formula: C9H10O5

Natural Isotopic Abundance Mass: 198.1727

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0528234315
  • C13N14: 207.0830169717
  • C12N15: 198.0528234315
  • C13N15: 207.0830169717

InChI string: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

PubChem Compound (CID): 10742
CAS Registry number: 530-57-4 64887-60-1
ChemIDplus: 000530574
EINECS: 208-486-8
NMRShiftDB: 20040774
KEGG Compound ID: C10833
Beilstein Handbook Reference: 4-10-00-01995
ChemDB: 4260176
NIST Chemistry WebBook: 2520291272
MMCD: cq_07498

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,