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3-O-trimethylsilyl-5,7,3',4'-tetra-O-(trideuteriomethyl)quercetin
SpectraBase Compound ID JsSbCtEcCbA
InChI InChI=1S/C22H26O7Si/c1-24-14-11-17(27-4)19-18(12-14)28-21(22(20(19)23)29-30(5,6)7)13-8-9-15(25-2)16(10-13)26-3/h8-12H,1-7H3/i1D3,2D3,3D3,4D3
InChIKey JNGXGSFURGVPMD-MGKWXGLJSA-N
Mol Weight 442.6 g/mol
Molecular Formula C22H142D12O7Si
Exact Mass 442.220101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tWVAfgM5Qj
Name 3-O-trimethylsilyl-5,7,3',4'-tetra-O-(trideuteriomethyl)quercetin
Alternate Name(s) 3-Trimethylsilyloxy-5,7-bis[(trideuterio)methoxy]-2-[3',4'-bis(trideuteriomethoxy)phenyl]-4H-1-benzopyran-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H14D12O7Si
InChI InChI=1S/C22H26O7Si/c1-24-14-11-17(27-4)19-18(12-14)28-21(22(20(19)23)29-30(5,6)7)13-8-9-15(25-2)16(10-13)26-3/h8-12H,1-7H3/i1D3,2D3,3D3,4D3
InChIKey JNGXGSFURGVPMD-MGKWXGLJSA-N
Molecular Weight 442.601 g/mol
SMILES C1(=C(Oc2c(C1=O)c(cc(OC([2D])([2D])[2D])c2)OC([2D])([2D])[2D])c1cc(OC([2D])([2D])[2D])c(cc1)OC([2D])([2D])[2D])O[Si](C)(C)C
SPLASH splash10-004i-0000900000-5f992e2273add4ee8e92
Source of Spectrum KO-19-323-17
Wiley ID 1381474