BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Dehydrodiisoeugenol

Graphical representations:

Dehydrodiisoeugenol

View large 3D structure

Molecular Formula: C20H22O4

Natural Isotopic Abundance Mass: 326.38628

Mono-Isotopic Molecular Masses:

  • C12N14: 326.1518091946
  • C13N14: 346.2189059506
  • C12N15: 326.1518091946
  • C13N15: 346.2189059506

InChI string: InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m0/s1

USDA_NMR_database: 67

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)