Biological Magnetic Resonance Data Bank

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

Graphical representations:


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Molecular Formula: C10H10O4

Natural Isotopic Abundance Mass: 194.184

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0579088094
  • C13N14: 204.0914571874
  • C12N15: 194.0579088094
  • C13N15: 204.0914571874

InChI string: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

PubChem Compound (CID): 445858
CAS Registry number: 1135-24-6 97274-61-8
Sigma-Aldrich: 46278_FLUKA
ChEBI: CHEBI:17620
CambridgeSoft Corporation: 3550
ChemIDplus: 097274618
ChemSpider: 393368
MMDB: 52625.5
CCRIS: 7575
KEGG Compound ID: C01494
NMRShiftDB: 10009240
NIST Chemistry WebBook: 1973712778
MMCD: cq_00979
MDL: MFCD00004400
PDB Compound ID: FER

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,