bmse011344 NMR Quality Control Of Fragment Libraries For Screening at BMRB

1-(4-phenylphenyl)tetrazole

1-(4-phenylphenyl)tetrazole bmse011344 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

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Molecular Formula: C13H10N4

Natural Isotopic Abundance Mass: 222.24529999999987

Mono-Isotopic Molecular Masses:

C12N14: 222.09054634
C13N14: 235.13415923400007
C12N15: 226.07868591200003
C13N15: 239.1222988060001

InChI string: InChI=1S/C13H10N4/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)17-10-14-15-16-17/h1-10H

IUPAC: 1-(4-phenylphenyl)tetrazole

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)