BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

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

N-(5-chloro-2,4-dimethoxyphenyl)acetamide bmse011886 - Data

N-(5-chloro-2,4-dimethoxyphenyl)acetamide synonyms

Wikipedia:

Graphical representations:

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

View large 3D structure

Molecular Formula: C10H12ClNO3

Natural Isotopic Abundance Mass: 229.66018000000003

Mono-Isotopic Molecular Masses:

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

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

EU-OPENSCREEN: EOS102590

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)