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_204

Lignin_cw_compound_204 synonyms

1-(3,4-dimethoxyphenyl)-1-acetoxyethane

Wikipedia:

Graphical representations:

lignin_cw_compound_204 image

Molecular Formula: C12 H16 O4

Natural Isotopic Abundance Mass: 224.25304

Mono-Isotopic Molecular Masses:

  • C12N14: 224.104859002
  • C13N14: 236.1451170556
  • C12N15: 224.104859002
  • C13N15: 236.1451170556

InCHi String: InChI=1/C12H16O4/c1-8(16-9(2)13)10-5-6-11(14-3)12(7-10)15-4/h5-8H,1-4H3

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

Beilstein
1-(3,4-dimethoxyphenyl)-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 204
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.