BMRB

Biological Magnetic Resonance Data Bank


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

Coumaryl Alcohol Acetate

Coumaryl Alcohol Acetate bmse010149 - Data

DIR_NAME synonyms

4-hydroxy cinnamyl alcohol diacetate

Wikipedia:

Graphical representations:

DIR_NAME

View large 3D structure

Molecular Formula: C13H14O4

Natural Isotopic Abundance Mass: 234.24786

Mono-Isotopic Molecular Masses:

  • C12N14: 234.0892089378
  • C13N14: 247.1328218292
  • C12N15: 234.0892089378
  • C13N15: 247.1328218292

InChI string: InChI=1S/C13H14O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h3-8H,9H2,1-2H3/b4-3+

USDA_NMR_database: 222

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)