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5'-Acetyl-7,2',4'-triisopropoxyisoflavone
SpectraBase Compound ID 5X4bD0Ej6PF
InChI InChI=1S/C26H30O6/c1-14(2)30-18-8-9-19-23(10-18)29-13-22(26(19)28)21-11-20(17(7)27)24(31-15(3)4)12-25(21)32-16(5)6/h8-16H,1-7H3
InChIKey DOTNRKVKCKCUGS-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PhnJeLHKcs
Name 5'-Acetyl-7,2',4'-triisopropoxyisoflavone
Comments Less than 3 mono-isotopic peaks
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Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-14(2)30-18-8-9-19-23(10-18)29-13-22(26(19)28)21-11-20(17(7)27)24(31-15(3)4)12-25(21)32-16(5)6/h8-16H,1-7H3
InChIKey DOTNRKVKCKCUGS-UHFFFAOYSA-N
Molecular Weight 438.520 g/mol
SMILES C1=C(C(=O)c2ccc(cc2O1)OC(C)C)c1c(cc(c(c1)C(=O)C)OC(C)C)OC(C)C
SPLASH splash10-0002-0090300000-19b9dbc7755c671cda8c
Source of Spectrum O1-63-1389-34
Synonyms 3-(5-acetyl-2,4-diisopropoxyphenyl)-7-isopropoxy-4H-chromen-4-one
Wiley ID 1592653