N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide

N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide bmse011444 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H13N5O

Natural Isotopic Abundance Mass: 243.26451999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 243.112010061
  • C13N14: 255.15226811700006
  • C12N15: 248.09718452600004
  • C13N15: 260.13744258200023

InChI string: InChI=1S/C12H13N5O/c18-12(9-2-1-3-9)14-10-4-6-11(7-5-10)17-8-13-15-16-17/h4-9H,1-3H2,(H,14,18)

IUPAC: N-[4-(tetrazol-1-yl)phenyl]cyclobutanecarboxamide

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)