BMRB

Biological Magnetic Resonance Data Bank


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

(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholine

(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholine bmse012066 - Data

(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholine synonyms

Wikipedia:

Graphical representations:

(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholine

View large 3D structure

Molecular Formula: C15H19N3O

Natural Isotopic Abundance Mass: 257.3308599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 257.15281224299997
  • C13N14: 272.203134813
  • C12N15: 260.143916922
  • C13N15: 275.19423949200007

InChI string: InChI=1S/C15H19N3O/c1-11-15(14-10-19-9-8-16-14)12(2)18(17-11)13-6-4-3-5-7-13/h3-7,14,16H,8-10H2,1-2H3/t14-/m1/s1

EU-OPENSCREEN: EOS102787

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)