BMRB

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

dihydro-sinapyl alcohol; 1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)

Wikipedia:

Graphical representations:

dihydro-sinapyl alcohol image

Molecular Formula: C11 H16 O4

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

canonical and isomeric SMILES: COC1=CC(=CC(=C1O)OC)CCCO

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-(3-hydroxypropyl)-2,6-dimethoxyphenol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-(3-hydroxypropyl)-2,6-dimethoxy-phenol

PubChem Substance (SID):   85165362   11077993   39356545
PubChem Compound (CID):   529893
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemSpider 461632   NIST Chemistry WebBook 992387207

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.