Biological Magnetic Resonance Data Bank

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

Acetylated_sinapaldehyde synonyms



Graphical representations:


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Molecular Formula: C13H14O5

Natural Isotopic Abundance Mass: 250.24726

Mono-Isotopic Molecular Masses:

  • C12N14: 250.0841235599
  • C13N14: 263.1277364513
  • C12N15: 250.0841235599
  • C13N15: 263.1277364513

InChI string: InChI=1S/C13H14O5/c1-9(15)18-13-11(16-2)7-10(5-4-6-14)8-12(13)17-3/h4-8H,1-3H3/b5-4+

USDA_NMR_database: 155

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,