N-(2-ethyltetrazol-5-yl)butanamide

N-(2-ethyltetrazol-5-yl)butanamide bmse011310 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C7H13N5O

Natural Isotopic Abundance Mass: 183.21101999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 183.112010061
  • C13N14: 190.13549392700003
  • C12N15: 188.09718452600004
  • C13N15: 195.12066839200006

InChI string: InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)

wwPDB CCD: S7S

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)