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2,2-bis(3,4-dimethoxyphenyl)indane-1,3-dione
SpectraBase Compound ID EPZuWdGRIsC
InChI InChI=1S/C25H22O6/c1-28-19-11-9-15(13-21(19)30-3)25(16-10-12-20(29-2)22(14-16)31-4)23(26)17-7-5-6-8-18(17)24(25)27/h5-14H,1-4H3
InChIKey RMKKVUIDBZHINJ-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C25H22O6
Exact Mass 418.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYn3AVl7JJz
Name 2,2-bis(3,4-dimethoxyphenyl)indane-1,3-dione
Alternate Name(s) 2,2-bis(3,4-dimethoxyphenyl)indane-1,3-quinone 2,2-bis(3,4-dimethoxyphenyl)indene-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C25H22O6
InChI InChI=1S/C25H22O6/c1-28-19-11-9-15(13-21(19)30-3)25(16-10-12-20(29-2)22(14-16)31-4)23(26)17-7-5-6-8-18(17)24(25)27/h5-14H,1-4H3
InChIKey RMKKVUIDBZHINJ-UHFFFAOYSA-N
Molecular Weight 418.445 g/mol
SMILES C1(C(c2ccccc2C1=O)=O)(c1cc(OC)c(cc1)OC)c1cc(OC)c(cc1)OC
SPLASH splash10-014i-0000900000-cf4212e6ac69f32132fc
Source of Spectrum CV-0-639-4
Wiley ID 872681