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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Ethanol
Ethanol synonyms
EtOH; SD Alchol 23-hydrogen; Ethyl hydrate; Alcohol; Ru-Tuss Hydrocodone Liquid; Alkoholu etylowego [Polish]; Alkohol [German]; Denatured alcohol; Ethyl alcohol and water; Molasses alcohol; Dehydrated ethanol
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): 702KEGG 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, https://www.nature.com/articles/sdata201773)