bmse011078 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-(4-Chloro-2,5-dimethoxyphenyl)acetamide

N-(4-Chloro-2,5-dimethoxyphenyl)acetamide bmse011078 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

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Molecular Formula: C10H12ClNO3

Natural Isotopic Abundance Mass: 229.6601799999999

Mono-Isotopic Molecular Masses:

C12N14: 229.050570929
C13N14: 239.08411930900004
C12N15: 230.047605822
C13N15: 240.08115420200005

InChI string: InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)

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)