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-chlorothiadiazol-4-yl)methyl]morpholine

4-[(5-chlorothiadiazol-4-yl)methyl]morpholine bmse011247 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H10ClN3OS

Natural Isotopic Abundance Mass: 219.69179999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 219.023310635
  • C13N14: 226.04679450100002
  • C12N15: 222.01441531400002
  • C13N15: 229.03789918000004

InChI string: InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2

IUPAC: 4-[(5-chlorothiadiazol-4-yl)methyl]morpholine

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)