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[3,6,8,3',5'-D5]-Dihydrodaidzein {2,3-dihydro-3-D-7-hydroxy-3-(4-hydroxyphenyl-3,5-D2)-4H-1-benzopyran-4-one-6,8-D2}
SpectraBase Compound ID 2J9M16LlhRK
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,13D
InChIKey JHYXBPPMXZIHKG-DPRLIGCBSA-N
Mol Weight 261.29 g/mol
Molecular Formula C15H7D5O4
Exact Mass 261.104943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Gd72q4T1KG
Name [3,6,8,3',5'-D5]-Dihydrodaidzein {2,3-dihydro-3-D-7-hydroxy-3-(4-hydroxyphenyl-3,5-D2)-4H-1-benzopyran-4-one-6,8-D2}
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Formula C15H7D5O4
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,13D
InChIKey JHYXBPPMXZIHKG-DPRLIGCBSA-N
Molecular Weight 261.288 g/mol
SMILES Oc1c(cc(C2(C(c3cc(c(c(c3OC2)[D])O)[D])=O)[D])cc1[D])[D]
SPLASH splash10-000i-0910000000-1fe49f14d6ea24efbae8
Source of Spectrum F-55-3452-5
Synonyms 3,6,8-trideuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one 3,6,8-trideuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxy-2H-chromen-4-one 3,6,8-trideuterio-3-(3,5-dideuterio-4-oxidanyl-phenyl)-7-oxidanyl-2H-chromen-4-one
Wiley ID 837381