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-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propan-2-ylacetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propan-2-ylacetamide bmse012477 - Data

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propan-2-ylacetamide synonyms

Wikipedia:

Graphical representations:

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propan-2-ylacetamide

View large 3D structure

Molecular Formula: C13H16ClNO3

Natural Isotopic Abundance Mass: 269.72404

Mono-Isotopic Molecular Masses:

  • C12N14: 269.081871057
  • C13N14: 282.12548395100004
  • C12N15: 270.07890595
  • C13N15: 283.122518844

InChI string: InChI=1S/C13H16ClNO3/c1-8(2)15-12(16)7-9-5-10(14)13-11(6-9)17-3-4-18-13/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)

EU-OPENSCREEN: EOS103243

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)