BMRB

Biological Magnetic Resonance Data Bank


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

(3R)-3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline

(3R)-3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline bmse012349 - Data

(3R)-3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline synonyms

Wikipedia:

Graphical representations:

(3R)-3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline

View large 3D structure

Molecular Formula: C12H13N3

Natural Isotopic Abundance Mass: 199.25171999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 199.110947431
  • C13N14: 211.15120548700006
  • C12N15: 202.10205211000002
  • C13N15: 214.14231016600007

InChI string: InChI=1S/C12H13N3/c1-2-5-12-10(4-1)8-11(9-13-12)15-7-3-6-14-15/h1-7,11,13H,8-9H2/t11-/m1/s1

EU-OPENSCREEN: EOS103096

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)