Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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acetylated coumaric acid

acetylated coumaric acid synonyms

acetylated coumaric acid; (E)-4-acetoxycinnamic acid


Graphical representations:

acetylated coumaric acid image

Molecular Formula: C11 H10 O4

Natural Isotopic Abundance Mass: 206.1947

Mono-Isotopic Molecular Masses:

  • C12N14: 206.0579088094
  • C13N14: 217.0948120252
  • C12N15: 206.0579088094
  • C13N15: 217.0948120252

InCHi String: InChI=1/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+/f/h13H

Canonical and Isomeric SMILES: SMILES_STRING

acetylated coumaric acid

PubChem Substance (SID):   111677957
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 129
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.