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 Benzaldehyde

4-Acetoxy Benzaldehyde synonyms

4-Acetoxy benzaldehyde


Graphical representations:

4-Acetoxy benzaldehyde image

Molecular Formula: C9 H8 O3

Natural Isotopic Abundance Mass: 164.15802

Mono-Isotopic Molecular Masses:

  • C12N14: 164.0473441231
  • C13N14: 173.0775376633
  • C12N15: 164.0473441231
  • C13N15: 173.0775376633

InCHi String: InChI=1/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3

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

4-Acetoxy benzaldehyde

PubChem Substance (SID):   111678008
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 207
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.