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Biological Magnetic Resonance Data Bank


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

N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide bmse011806 - Data

N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide synonyms

Wikipedia:

Graphical representations:

N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide

View large 3D structure

Molecular Formula: C13H19NO2

Natural Isotopic Abundance Mass: 221.29546

Mono-Isotopic Molecular Masses:

  • C12N14: 221.141578853
  • C13N14: 234.18519174700006
  • C12N15: 222.138613746
  • C13N15: 235.18222664000007

InChI string: InChI=1S/C13H19NO2/c1-8-5-10-11(14-9(2)15)6-13(3,4)7-12(10)16-8/h5,11H,6-7H2,1-4H3,(H,14,15)/t11-/m1/s1

EU-OPENSCREEN: EOS102506

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)