Lignin_cw_compound_3046

Lignin_cw_compound_3046 bmse010366 - Data

Lignin_cw_compound_3046 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3046

View large 3D structure

Molecular Formula: C15H20O3S2

Natural Isotopic Abundance Mass: 312.4475

Mono-Isotopic Molecular Masses:

  • C12N14: 312.0853858883
  • C13N14: 327.1357084553
  • C12N15: 312.0853858883
  • C13N15: 327.1357084553

InChI string: InChI=1S/C15H20O3S2/c1-5-19-11-8-9-7-10(17-3)13(16)14(18-4)12(9)15(11)20-6-2/h7,16H,5-6,8H2,1-4H3

USDA_NMR_database: 3046

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)