Sinapyl Alcohol

Sinapyl Alcohol bmse000612 - Data bmse010286 - Data

Sinapyl_alcohol synonyms

Sinapic alcohol; Sinapyl alcohol; SINAPYL-ALCOHOL; 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)-; Sinapoyl alcohol; Sinapyl alcohol, (E); 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol

Wikipedia:

Graphical representations:

sinapyl_alcohol

View large 3D structure

Molecular Formula: C11H14O4

Natural Isotopic Abundance Mass: 210.22646

Mono-Isotopic Molecular Masses:

  • C12N14: 210.0892089378
  • C13N14: 221.1261121536
  • C12N15: 210.0892089378
  • C13N15: 221.1261121536

InChI string: InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+

PubChem Compound (CID): 5280507
CAS Registry number: 537-33-7
ChEBI: CHEBI:28813
NMRShiftDB: 20040790
KEGG Compound ID: C02325
BioCyc: SINAPYL-ALCOHOL
NIST Chemistry WebBook: 4084771789
MMCD: cq_01455

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)