1-(furan-2-ylmethyl)-4-methylsulfonylpiperazine; Oxalic Acid

1-(furan-2-ylmethyl)-4-methylsulfonylpiperazine; Oxalic Acid bmse011220 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C12H18N2O7S

Natural Isotopic Abundance Mass: 334.3455199999998

Mono-Isotopic Molecular Masses:

  • C12N14: 334.08347192599996
  • C13N14: 346.123729982
  • C12N15: 336.07754171199997
  • C13N15: 348.11779976800005

InChI string: InChI=1S/C10H16N2O3S.C2H2O4/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10;3-1(4)2(5)6/h2-3,8H,4-7,9H2,1H3;(H,3,4)(H,5,6)

IUPAC: 1-(furan-2-ylmethyl)-4-methylsulfonylpiperazine; oxalic acid

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)