Biological Magnetic Resonance Data Bank

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

3-pyridine Aldoxime

Graphical representations:


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Molecular Formula: C6H6N2O

Natural Isotopic Abundance Mass: 122.12464

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0480128251
  • C13N14: 128.0681418519
  • C12N15: 124.0420826115
  • C13N15: 130.0622116383

InChI string: InChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+

PubChem Compound (CID): 5324568
Sigma-Aldrich: P58405_ALDRICH
KEGG Compound ID: P58405_ALDRICH
NIST Chemistry WebBook: 1956383805
NIST: 3881115147
MMCD: cq_10415
MDL: MFCD00006409

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,