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4-Deoxyaklanon
SpectraBase Compound ID APxSsgkycb0
InChI InChI=1S/C20H16O5/c1-3-11(21)9-15(22)16-10(2)8-14-17(20(16)25)19(24)13-7-5-4-6-12(13)18(14)23/h4-8,25H,3,9H2,1-2H3
InChIKey DZCCLAOVNZMSSW-UHFFFAOYSA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HxUwwtm23c
Name 4-Deoxyaklanon
Alternate Name(s) 1-Hydroxy-3-methyl-2-(3-oxopentanoyl)anthra-9,10-quinone 4-Hydroxy-2-methyl-9,10-dioxo-3-(3'-oxopentanoyl)-9,10-dihydro-anthracene
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Formula C20H16O5
InChI InChI=1S/C20H16O5/c1-3-11(21)9-15(22)16-10(2)8-14-17(20(16)25)19(24)13-7-5-4-6-12(13)18(14)23/h4-8,25H,3,9H2,1-2H3
InChIKey DZCCLAOVNZMSSW-UHFFFAOYSA-N
Molecular Weight 336.343 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(c1C(CC(=O)CC)=O)C
SPLASH splash10-014i-0095000000-5705e00e8b83de8a4089
Source of Spectrum U-1996-277-17
Wiley ID 768217