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4-acetoxy-3-methoxy-trans-cinnamaldehyde

Go to external page http://purl.obolibrary.org/obo/CHEBI_86579

A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively.

Term info

Label

4-acetoxy-3-methoxy-trans-cinnamaldehyde

Synonyms
  • 2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate [ IUPAC ]

charge

0

formula

C12H12O4

has obo namespace

chebi_ontology

has related synonym

acetylated coniferylaldehyde, 4-(2-Formylvinyl)-2-methoxyphenyl acetate

id

CHEBI:86579

inchi

InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

inchikey

VEKAJHBFBMWJKI-ONEGZZNKSA-N

mass

220.22130

monoisotopicmass

220.07356

smiles

COc1cc(\C=C\C=O)ccc1OC(C)=O