Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Ethyl vanillin

Ethyl vanillin synonyms

Ethyl vanillin


Graphical representations:

Ethyl vanillin image

Molecular Formula: C10 H12 O3

Natural Isotopic Abundance Mass: 180.20048

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0786442515
  • C13N14: 190.1121926295
  • C12N15: 180.0786442515
  • C13N15: 190.1121926295

InCHi String: InChI=1/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3

Canonical and Isomeric SMILES: SMILES_STRING

Ethyl vanillin

PubChem Substance (SID):   111677979
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 167
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.