BMRB

Biological Magnetic Resonance Data Bank


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

3,4-dimethoxycinnamyl Acetate

3_4_dimethoxycinnamyl_acetate synonyms

Wikipedia:

Graphical representations:

3_4_dimethoxycinnamyl_acetate

View large 3D structure

Molecular Formula: C13H16O4

Natural Isotopic Abundance Mass: 236.26374

Mono-Isotopic Molecular Masses:

  • C12N14: 236.104859002
  • C13N14: 249.1484718934
  • C12N15: 236.104859002
  • C13N15: 249.1484718934

InChI string: InChI=1S/C13H16O4/c1-10(14)17-8-4-5-11-6-7-12(15-2)13(9-11)16-3/h4-7,9H,8H2,1-3H3/b5-4+

USDA_NMR_database: 159

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)