Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_196 synonyms

Acetylated Sinapic acid methyl ester


Graphical representations:

lignin_cw_compound_196 image

Molecular Formula: C14 H16 O6

Natural Isotopic Abundance Mass: 280.27324

Mono-Isotopic Molecular Masses:

  • C12N14: 280.0946882462
  • C13N14: 294.1416559754
  • C12N15: 280.0946882462
  • C13N15: 294.1416559754

InCHi String: InChI=1/C14H16O6/c1-9(15)20-14-11(17-2)7-10(8-12(14)18-3)5-6-13(16)19-4/h5-8H,1-4H3/b6-5+

Canonical and Isomeric SMILES: CC(=O)OC1=C(C=C(C=CC(=O)OC)C=C1OC)OC

Acetylated Sinapic acid methyl ester

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 196
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.