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 Isoeugenol

Acetylated_isoeugenol synonyms



Graphical representations:


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Molecular Formula: C12H14O3

Natural Isotopic Abundance Mass: 206.23776

Mono-Isotopic Molecular Masses:

  • C12N14: 206.0942943157
  • C13N14: 218.1345523693
  • C12N15: 206.0942943157
  • C13N15: 218.1345523693

InChI string: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+

USDA_NMR_database: 111

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,