4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide bmse011640 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13NO3S

Natural Isotopic Abundance Mass: 215.26941999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 215.061614281
  • C13N14: 224.09180782300004
  • C12N15: 216.058649174
  • C13N15: 225.08884271600004

InChI string: InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2

IUPAC: 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide

wwPDB CCD: O3D

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)