Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Methyl 4-acetoxybenzoate

Methyl 4-acetoxybenzoate synonyms

Methyl 4-acetoxybenzoate; 4-acetoxybenzoic acid methyl ester


Graphical representations:

Methyl 4-acetoxybenzoate image

Molecular Formula: C10 H10 O4

Natural Isotopic Abundance Mass: 194.184

Mono-Isotopic Molecular Masses:

  • C12N14: 194.0579088094
  • C13N14: 204.0914571874
  • C12N15: 194.0579088094
  • C13N15: 204.0914571874

InCHi String: InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3

Canonical and Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)OC

Methyl 4-acetoxybenzoate

PubChem Substance (SID):   111677914
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 17
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.