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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gh4CiLMHk87
Name SACIDUMOL_A;(3-E)-4-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3-METHYLBUT-3-EN-2-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author L.S.GAN,S.P.YANG,C.Q.FAN,J.M.YUE
Literature Reference Citation J.NAT.PROD.,68,221(2005)
Literature Reference DOI 10.1021/np049681s
Molecular Weight 236.268 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ8888