BMRB

Biological Magnetic Resonance Data Bank


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

2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide bmse012164 - Data

2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide synonyms

Wikipedia:

Graphical representations:

2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

View large 3D structure

Molecular Formula: C12H13NO3

Natural Isotopic Abundance Mass: 219.23652

Mono-Isotopic Molecular Masses:

  • C12N14: 219.089543281
  • C13N14: 231.12980133700006
  • C12N15: 220.086578174
  • C13N15: 232.12683623000007

InChI string: InChI=1S/C12H13NO3/c1-13-12(14)5-8-7-16-11-6-9(15-2)3-4-10(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14)

EU-OPENSCREEN: EOS102892

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)