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4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2-(ethoxycarbonyl)-3-oxobutyl]benzoic acid
SpectraBase Compound ID 5IWfQ4qYi5s
InChI InChI=1S/C23H20O8/c1-3-30-22(28)17(12(2)24)18(13-8-10-14(11-9-13)21(26)27)19-20(25)15-6-4-5-7-16(15)31-23(19)29/h4-11,17-18,25H,3H2,1-2H3,(H,26,27)
InChIKey DUPKCJAZJFUPCW-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C23H20O8
Exact Mass 424.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lgypu2ZT5dC
Name 4-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2-(ethoxycarbonyl)-3-oxobutyl]benzoic acid
Alternate Name(s) 4-[2-ethoxycarbonyl-1-(4-hydroxy-2-oxo-1-benzopyran-3-yl)-3-oxobutyl]benzoic acid 4-[2-ethoxycarbonyl-1-(4-hydroxy-2-oxochromen-3-yl)-3-oxobutyl]benzoic acid 4-[2-ethoxycarbonyl-1-(4-hydroxy-2-oxo-chromen-3-yl)-3-oxo-butyl]benzoic acid 4-[2-ethoxycarbonyl-3-oxidanylidene-1-(4-oxidanyl-2-oxidanylidene-chromen-3-yl)butyl]benzoic acid
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Formula C23H20O8
InChI InChI=1S/C23H20O8/c1-3-30-22(28)17(12(2)24)18(13-8-10-14(11-9-13)21(26)27)19-20(25)15-6-4-5-7-16(15)31-23(19)29/h4-11,17-18,25H,3H2,1-2H3,(H,26,27)
InChIKey DUPKCJAZJFUPCW-UHFFFAOYSA-N
Molecular Weight 424.405 g/mol
SMILES OC=1c2ccccc2OC(C1C(c1ccc(C(=O)O)cc1)C(C(C)=O)C(=O)OCC)=O
SPLASH splash10-052f-3296000000-44b5480b3a9e31a4c0f5
Source of Spectrum F2-43-704-SS17
Wiley ID 1715856