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-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-methylacetamide

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-methylacetamide bmse012421 - Data

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-methylacetamide synonyms

Wikipedia:

Graphical representations:

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-methylacetamide

View large 3D structure

Molecular Formula: C12H15NO2

Natural Isotopic Abundance Mass: 205.253

Mono-Isotopic Molecular Masses:

  • C12N14: 205.110278725
  • C13N14: 217.15053678100006
  • C12N15: 206.107313618
  • C13N15: 218.14757167400006

InChI string: InChI=1S/C12H15NO2/c1-13-12(14)8-9-6-7-15-11-5-3-2-4-10(9)11/h2-5,9H,6-8H2,1H3,(H,13,14)/t9-/m0/s1

EU-OPENSCREEN: EOS103175

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)