BMRB

Biological Magnetic Resonance Data Bank


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

4-phenyl-2H-triazole

4-phenyl-2H-triazole bmse012063 - Data

4-phenyl-2H-triazole synonyms

Wikipedia:

Graphical representations:

4-phenyl-2H-triazole

View large 3D structure

Molecular Formula: C8H7N3

Natural Isotopic Abundance Mass: 145.16128

Mono-Isotopic Molecular Masses:

  • C12N14: 145.063997239
  • C13N14: 153.09083594300003
  • C12N15: 148.05510191800002
  • C13N15: 156.08194062200005

InChI string: InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)

EU-OPENSCREEN: EOS102783

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)