BMRB

Biological Magnetic Resonance Data Bank


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

Coniferaldehyde

Coniferaldehyde synonyms

4-hydroxy-3-methoxycinnamaldehyde

Wikipedia:

Graphical representations:

coniferaldehyde

View large 3D structure

Molecular Formula: C10H10O3

Natural Isotopic Abundance Mass: 178.1846

Mono-Isotopic Molecular Masses:

  • C12N14: 178.0629941873
  • C13N14: 188.0965425653
  • C12N15: 178.0629941873
  • C13N15: 188.0965425653

InChI string: InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+

USDA_NMR_database: 144

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)