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1,8-bis(bromanyl)-9,10-bis(oxidanylidene)-4,5-di(propan-2-yloxy)anthracene-2-carboxylic acid
SpectraBase Compound ID HQF9UO0NNaK
InChI InChI=1S/C21H18Br2O6/c1-8(2)28-12-6-5-11(22)14-15(12)20(25)16-13(29-9(3)4)7-10(21(26)27)18(23)17(16)19(14)24/h5-9H,1-4H3,(H,26,27)
InChIKey QFVLHLMOZGUISG-UHFFFAOYSA-N
Mol Weight 526.18 g/mol
Molecular Formula C21H18Br2O6
Exact Mass 523.947014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CZidFEdloX
Name 1,8-bis(bromanyl)-9,10-bis(oxidanylidene)-4,5-di(propan-2-yloxy)anthracene-2-carboxylic acid
Alternate Name(s) 1,8-Dibromo-4,5-diisopropoxy-9,10-diketo-anthracene-2-carboxylic acid 1,8-Dibromo-4,5-diisopropoxy-9,10-dioxo-anthracene-2-carboxylic acid 1,8-Dibromo-9,10-dioxo-4,5-di(propan-2-yloxy)-2-anthracenecarboxylic acid 1,8-Dibromo-9,10-dioxo-4,5-di(propan-2-yloxy)anthracene-2-carboxylic acid
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Formula C21H18Br2O6
InChI InChI=1S/C21H18Br2O6/c1-8(2)28-12-6-5-11(22)14-15(12)20(25)16-13(29-9(3)4)7-10(21(26)27)18(23)17(16)19(14)24/h5-9H,1-4H3,(H,26,27)
InChIKey QFVLHLMOZGUISG-UHFFFAOYSA-N
Molecular Weight 526.177 g/mol
SMILES OC(c1c(c2c(C(=O)c3c(C2=O)c(ccc3OC(C)C)Br)c(OC(C)C)c1)Br)=O
SPLASH splash10-0006-0000900000-94faf91bac31076d20b6
Source of Spectrum J-67-5607-36
Wiley ID 1570516