Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Dihydro-sinapyl Alcohol

Dihydro_sinapyl_alcohol synonyms

1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)


Graphical representations:


View large 3D structure

Molecular Formula: C11H16O4

Natural Isotopic Abundance Mass: 212.24234

Mono-Isotopic Molecular Masses:

  • C12N14: 212.104859002
  • C13N14: 223.1417622178
  • C12N15: 212.104859002
  • C13N15: 223.1417622178

InChI string: InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3

PubChem Compound (CID): 529893
ChemSpider: 461632
NIST Chemistry WebBook: 992387207

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,