BMRB

Biological Magnetic Resonance Data Bank


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

1H-imidazole-5-carbonitrile

1H-imidazole-5-carbonitrile bmse012637 - Data

1H-imidazole-5-carbonitrile synonyms

Wikipedia:

Graphical representations:

1H-imidazole-5-carbonitrile

View large 3D structure

Molecular Formula: C4H3N3

Natural Isotopic Abundance Mass: 93.08672

Mono-Isotopic Molecular Masses:

  • C12N14: 93.032697111
  • C13N14: 97.046116463
  • C12N15: 96.02380179000002
  • C13N15: 100.03722114200002

InChI string: InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)

EU-OPENSCREEN: EOS103468

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)