bmse011682 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-tert-butylpiperidine-1,4-dicarboxamide

N-tert-butylpiperidine-1,4-dicarboxamide bmse011682 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C11H21N3O2

Natural Isotopic Abundance Mass: 227.30333999999982

Mono-Isotopic Molecular Masses:

C12N14: 227.163376927
C13N14: 238.20028014500005
C12N15: 230.15448160600002
C13N15: 241.19138482400007

InChI string: InChI=1S/C11H21N3O2/c1-11(2,3)13-10(16)14-6-4-8(5-7-14)9(12)15/h8H,4-7H2,1-3H3,(H2,12,15)(H,13,16)

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)