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 methyl ferulate

acetylated methyl ferulate synonyms

acetylated methyl ferulate; methyl 4-acetoxy-3-methoxycinnamate


Graphical representations:

acetylated methyl ferulate image

Molecular Formula: C13 H14 O5

Natural Isotopic Abundance Mass: 250.24726

Mono-Isotopic Molecular Masses:

  • C12N14: 250.0841235599
  • C13N14: 263.1277364513
  • C12N15: 250.0841235599
  • C13N15: 263.1277364513

InCHi String: InChI=1/C13H14O5/c1-9(14)18-11-6-4-10(8-12(11)16-2)5-7-13(15)17-3/h4-8H,1-3H3/b7-5+

Canonical and Isomeric SMILES: SMILES_STRING

acetylated methyl ferulate

PubChem Substance (SID):   111677965
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 149
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.