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-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide bmse011794 - Data

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide synonyms

Wikipedia:

Graphical representations:

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide

View large 3D structure

Molecular Formula: C14H19NO3S

Natural Isotopic Abundance Mass: 281.37055999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 281.108564473
  • C13N14: 295.1555322050001
  • C12N15: 282.105599366
  • C13N15: 296.1525670980001

InChI string: InChI=1S/C14H19NO3S/c1-14(2,3)13(16)15-11-8-9-19(17,18)12-7-5-4-6-10(11)12/h4-7,11H,8-9H2,1-3H3,(H,15,16)/t11-/m1/s1

EU-OPENSCREEN: EOS102493

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)