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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4-acetoxy-3-methoxy Methyl Benzoate

4-acetoxy-3-methoxy Methyl Benzoate synonyms

4-acetoxy-3-methoxy methyl benzoate

Wikipedia:

Graphical representations:

4-acetoxy-3-methoxy methyl benzoate image

Molecular Formula: C11 H12 O5

Natural Isotopic Abundance Mass: 224.20998

Mono-Isotopic Molecular Masses:

  • C12N14: 224.0684734957
  • C13N14: 235.1053767115
  • C12N15: 224.0684734957
  • C13N15: 235.1053767115

InCHi String: InChI=1/C11H12O5/c1-7(12)16-9-5-4-8(11(13)15-3)6-10(9)14-2/h4-6H,1-3H3

Canonical and Isomeric SMILES: SMILES_STRING

Beilstein
4-acetoxy-3-methoxy methyl benzoate

PubChem Substance (SID):   111677989
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 180
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.