Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C2H6O

Natural Isotopic Abundance Mass: 46.0684400000

Mono-Isotopic Molecular Masses:

  • C12N14: 46.0418648147
  • C13N14: 48.0485744903
  • C12N15: 46.0418648147
  • C13N15: 48.0485744903

InChI string: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

IUPAC: ethanol

PubChem Compound (CID): 702
KEGG Compound ID: C00469
ChemIDplus: 000064175
CAS Registry number: 8000-16-6 64-17-5 8024-45-1 121182-78-3
EINECS: 200-578-6
Caswell No.: 430
CCRIS: 945
EPA Pesticide Chemical Code: 001501
HSDB: 82
FEMA No.: 2419
PDB Compound ID: EOH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,