bmse011696 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-cyclohexyl-2-phenylsulfanylacetamide

N-cyclohexyl-2-phenylsulfanylacetamide bmse011696 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C14H19NOS

Natural Isotopic Abundance Mass: 249.3717599999998

Mono-Isotopic Molecular Masses:

C12N14: 249.118735233
C13N14: 263.16570296500026
C12N15: 250.115770126
C13N15: 264.1627378580003

InChI string: InChI=1S/C14H19NOS/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)

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)