Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Acetaldehyde Oxime Mixture Of Syn And Anti

Graphical representations:


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Molecular Formula: C2H5NO

Natural Isotopic Abundance Mass: 59.0672

Mono-Isotopic Molecular Masses:

  • C12N14: 59.0371137878
  • C13N14: 61.0438234634
  • C12N15: 60.034148681
  • C13N15: 62.0408583566

InChI string: InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+

PubChem Compound (CID): 5324279
CAS Registry number: 107-29-9
Sigma-Aldrich: 00150_FLUKA
ChEBI: CHEBI:28465
HSDB: 2662
ChemIDplus: 000107299
ChemSpider: 4481813
EINECS: 203-479-6
CCRIS: 1379
NMRShiftDB: 10017039
KEGG Compound ID: C02658
Beilstein Handbook Reference: 4-01-00-03121
NIST Chemistry WebBook: 3916562792

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,