BMRB

Biological Magnetic Resonance Data Bank


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

4,5,6,7-tetrahydro-1H-indazole

4,5,6,7-tetrahydro-1H-indazole bmse012168 - Data

4,5,6,7-tetrahydro-1H-indazole synonyms

Wikipedia:

Graphical representations:

4,5,6,7-tetrahydro-1H-indazole

View large 3D structure

Molecular Formula: C7H10N2

Natural Isotopic Abundance Mass: 122.1677

Mono-Isotopic Molecular Masses:

  • C12N14: 122.08439833
  • C13N14: 129.10788219600002
  • C12N15: 124.07846811600001
  • C13N15: 131.10195198200003

InChI string: InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)

EU-OPENSCREEN: EOS102896

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)