BMRB

Biological Magnetic Resonance Data Bank


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

(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride bmse011093 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H11ClN2O

Natural Isotopic Abundance Mass: 210.6601399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 210.055990662
  • C13N14: 220.08953904200004
  • C12N15: 212.050060448
  • C13N15: 222.08360882800005

InChI string: InChI=1S/C10H10N2O.ClH/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8;/h1-6H,7,11H2;1H

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)