BMRB

Biological Magnetic Resonance Data Bank


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

Coniferyl P-coumarate

Coniferyl P-coumarate bmse010291 - Data

DIR_NAME synonyms

3-(4-Hydroxyphenyl) acrylic acid 3-(4-hydroxy-3-methoxyphenyl) llyl ester

Wikipedia:

Graphical representations:

DIR_NAME

View large 3D structure

Molecular Formula: C19H18O5

Natural Isotopic Abundance Mass: 326.34322

Mono-Isotopic Molecular Masses:

  • C12N14: 326.1154236883
  • C13N14: 345.1791656065
  • C12N15: 326.1154236883
  • C13N15: 345.1791656065

InChI string: InChI=1S/C19H18O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-11,13,20-21H,12H2,1H3/b3-2+,11-7+

USDA_NMR_database: 2009

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)