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2-(3-acetoacetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
SpectraBase Compound ID IKNtZjhrl18
InChI InChI=1S/C21H16O7/c1-10(22)7-15(23)17-11(9-16(24)28-2)8-14-18(21(17)27)20(26)13-6-4-3-5-12(13)19(14)25/h3-6,8,27H,7,9H2,1-2H3
InChIKey VVSZXKOLNVLGCT-UHFFFAOYSA-N
Mol Weight 380.35 g/mol
Molecular Formula C21H16O7
Exact Mass 380.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXanBsQwMqB
Name 2-(3-acetoacetyl-4-hydroxy-9,10-diketo-2-anthryl)acetic acid methyl ester
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Formula C21H16O7
InChI InChI=1S/C21H16O7/c1-10(22)7-15(23)17-11(9-16(24)28-2)8-14-18(21(17)27)20(26)13-6-4-3-5-12(13)19(14)25/h3-6,8,27H,7,9H2,1-2H3
InChIKey VVSZXKOLNVLGCT-UHFFFAOYSA-N
Molecular Weight 380.352 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(c1C(CC(=O)C)=O)CC(=O)OC
SPLASH splash10-0a7u-0059000000-ee8af80194abd9987638
Source of Spectrum U-1996-276-15
Synonyms 2-[3-(1,3-dioxobutyl)-4-hydroxy-9,10-dioxo-2-anthracenyl]acetic acid methyl ester Methyl 2-[4-hydroxy-9,10-dioxo-3-(3-oxobutanoyl)-2-anthryl]acetate Methyl 2-[4-hydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate Methyl 2-[4-oxidanyl-9,10-bis(oxidanylidene)-3-(3-oxidanylidenebutanoyl)anthracen-2-yl]ethanoate
Wiley ID 768219