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4,6-Dibenzoyl-5-hydroxy-isophthalic acid diethyl ester
SpectraBase Compound ID 8Pis0FOBnn9
InChI InChI=1S/C26H22O7/c1-3-32-25(30)18-15-19(26(31)33-4-2)21(23(28)17-13-9-6-10-14-17)24(29)20(18)22(27)16-11-7-5-8-12-16/h5-15,29H,3-4H2,1-2H3
InChIKey JRFHTZUDQABWOR-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C26H22O7
Exact Mass 446.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzTDvQsvwSQ
Name 4,6-Dibenzoyl-5-hydroxy-isophthalic acid diethyl ester
Alternate Name(s) Diethyl 4,6-dibenzoyl-5-hydroxyisophthalate
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Formula C26H22O7
InChI InChI=1S/C26H22O7/c1-3-32-25(30)18-15-19(26(31)33-4-2)21(23(28)17-13-9-6-10-14-17)24(29)20(18)22(27)16-11-7-5-8-12-16/h5-15,29H,3-4H2,1-2H3
InChIKey JRFHTZUDQABWOR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 446.455 g/mol
SMILES Oc1c(c(cc(C(OCC)=O)c1C(c1ccccc1)=O)C(=O)OCC)C(=O)c1ccccc1
SPLASH splash10-0002-1227900000-916a0a1680123903db45
Source of Spectrum A1-8-5673/SM17-10a
Wiley ID 1760960