BMRB

Biological Magnetic Resonance Data Bank


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

2,3-dihydro-1-benzofuran-5-sulfonamide

2,3-dihydro-1-benzofuran-5-sulfonamide bmse012234 - Data

2,3-dihydro-1-benzofuran-5-sulfonamide synonyms

Wikipedia:

Graphical representations:

2,3-dihydro-1-benzofuran-5-sulfonamide

View large 3D structure

Molecular Formula: C8H9NO3S

Natural Isotopic Abundance Mass: 199.22696000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 199.030314153
  • C13N14: 207.05715285700003
  • C12N15: 200.027349046
  • C13N15: 208.05418775000004

InChI string: InChI=1S/C8H9NO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H2,9,10,11)

IUPAC: b'2,3-dihydro-1-benzofuran-5-sulfonamide'

EU-OPENSCREEN: EOS102971

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)