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SACIDUMOL_A;(3-E)-4-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-METHYLBUT-3-EN-2-ONE
SpectraBase Compound ID Algf9LyybsH
InChI InChI=1S/C13H16O4/c1-8(9(2)14)5-10-6-11(16-3)13(15)12(7-10)17-4/h5-7,15H,1-4H3/b8-5+
InChIKey KLZSQLOZYREJNN-VMPITWQZSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aeQAJ8sc3R
Name (3E)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one
Appearance White amorphous powder
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8(9(2)14)5-10-6-11(16-3)13(15)12(7-10)17-4/h5-7,15H,1-4H3/b8-5+
InChIKey KLZSQLOZYREJNN-VMPITWQZSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1021/np049681s
Molecular Weight 236.267 g/mol
Reported Formula C13H16O4
SMILES Oc1c(cc(\C=C\(C(C)=O)C)cc1OC)OC
SPLASH splash10-052r-3980000000-5493b90164ec9fce78f1
Source of Spectrum G4-68-225-5
Synonyms Sacidumol A
Wiley ID 1879527