Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_293 synonyms



Graphical representations:


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Molecular Formula: C10H14O4

Natural Isotopic Abundance Mass: 198.21576

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0892089378
  • C13N14: 208.1227573158
  • C12N15: 198.0892089378
  • C13N15: 208.1227573158

InChI string: InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10-/m0/s1

USDA_NMR_database: 293

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,