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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_27

lignin_cw_compound_27 synonyms

1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone

Wikipedia:

Graphical representations:

lignin_cw_compound_27 image

Molecular Formula: C19 H20 O7

Natural Isotopic Abundance Mass: 360.3579

Mono-Isotopic Molecular Masses:

  • C12N14: 360.1209029967
  • C13N14: 379.1846449149
  • C12N15: 360.1209029967
  • C13N15: 379.1846449149

InCHi String: InChI=1S/C19H20O7/c1-12(20)26-19-17(23-3)9-13(10-18(19)24-4)14(21)11-25-16-8-6-5-7-15(16)22-2/h5-10H,11H2,1-4H3

Canonical and Isomeric SMILES: C(=O)OC1=C(C=C(C=C1OC)C(COC2=CC=CC=C2OC)=O)OC

Beilstein
1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone

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 27
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.