BMRB

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_202

Lignin_cw_compound_202 synonyms

1-(4-acetoxy-3-methoxyphenyl)-1-acetoxyethane

Wikipedia:

Graphical representations:

lignin_cw_compound_202 image

Molecular Formula: C13 H16 O5

Natural Isotopic Abundance Mass: 252.26314

Mono-Isotopic Molecular Masses:

  • C12N14: 252.0997736241
  • C13N14: 265.1433865155
  • C12N15: 252.0997736241
  • C13N15: 265.1433865155

InCHi String: InChI=1/C13H16O5/c1-8(17-9(2)14)11-5-6-12(18-10(3)15)13(7-11)16-4/h5-8H,1-4H3

Canonical and Isomeric SMILES: CC(C1=CC(=C(C=C1)OC(C)=O)OC)OC(C)=O

Beilstein
1-(4-acetoxy-3-methoxyphenyl)-1-acetoxyethane

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 202
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.