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3,5,7,3',4'-penta-O-trideuteriomethylquercetin
SpectraBase Compound ID BH28n6MehvW
InChI InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3/i1D3,2D3,3D3,4D3,5D3
InChIKey ALGDHWVALRSLBT-OEBKJCDYSA-N
Mol Weight 387.46 g/mol
Molecular Formula C20H52D15O7
Exact Mass 387.215054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek0rvnJQaoG
Name 3,5,7,3',4'-penta-O-trideuteriomethylquercetin
Alternate Name(s) 3,5,7-tri-(trideuteriomethoxy)-2-[3',4'-bis(trideuteriomethoxy)phenyl]-4H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H5D15O7
InChI InChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3/i1D3,2D3,3D3,4D3,5D3
InChIKey ALGDHWVALRSLBT-OEBKJCDYSA-N
Molecular Weight 387.465 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])OC([2D])([2D])[2D]
SPLASH splash10-000i-0009000000-31c189255872dec3f91d
Source of Spectrum KO-19-323-22
Wiley ID 1355413