BMRB

Biological Magnetic Resonance Data Bank


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

(2S)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]

(2S)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine] bmse012507 - Data

(2S)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine] synonyms

Wikipedia:

Graphical representations:

(2S)-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]

View large 3D structure

Molecular Formula: C12H15NO

Natural Isotopic Abundance Mass: 189.25359999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 189.115364105
  • C13N14: 201.15562216100005
  • C12N15: 190.112398998
  • C13N15: 202.15265705400006

InChI string: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-12(14-11)7-8-13-9-12/h1-4,13H,5-9H2/t12-/m0/s1

EU-OPENSCREEN: EOS103284

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)