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[6,8,3',5'-D4]-Dihydrodaidzein {2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl-3,5-D2)-4H-1-benzopyran-4-one-6,8-D2}
SpectraBase Compound ID 2D7arA3QTif
InChI InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2/i3D,4D,5D,7D
InChIKey JHYXBPPMXZIHKG-GDUMDNCPSA-N
Mol Weight 260.28 g/mol
Molecular Formula C15H8D4O4
Exact Mass 260.098666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXMKCpmDg2L
Name [6,8,3',5'-D4]-Dihydrodaidzein {2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl-3,5-D2)-4H-1-benzopyran-4-one-6,8-D2}
Alternate Name(s) 6,8-Dideuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 6,8-Dideuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one 6,8-Dideuterio-3-(3,5-dideuterio-4-oxidanyl-phenyl)-7-oxidanyl-2,3-dihydrochromen-4-one
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Formula C15H8D4O4
InChI InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2/i3D,4D,5D,7D
InChIKey JHYXBPPMXZIHKG-GDUMDNCPSA-N
Molecular Weight 260.281 g/mol
SMILES Oc1c(c2c(C(C(c3cc(c(c(c3)[D])O)[D])CO2)=O)cc1[D])[D]
SPLASH splash10-000i-0910000000-262cc6f8688851aa6c05
Source of Spectrum F-55-3452-5
Wiley ID 837382