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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Acetylated Eugenol

Acetylated Eugenol synonyms

acetylated eugenol; 1-(3-methoxy-4-acetoxyphenyl)-2-propene

Wikipedia:

Graphical representations:

acetylated eugenol image

Molecular Formula: C12 H14 O3

Natural Isotopic Abundance Mass: 206.23776

Mono-Isotopic Molecular Masses:

  • C12N14: 206.0942943157
  • C13N14: 218.1345523693
  • C12N15: 206.0942943157
  • C13N15: 218.1345523693

InCHi String: InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3

Canonical and Isomeric SMILES: C=CCC1=CC(=C(C=C1)OC(C)=O)OC

Beilstein
acetylated eugenol

PubChem Substance (SID):   111677949
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 115
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.