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5,7,4'-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
SpectraBase Compound ID 6B5U4FQoS9d
InChI InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3
InChIKey PONIGBFVAFAGSR-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BHMifdJ8f8
Name 5,7,4'-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
Appearance Yellow amorphous solid
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Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-4-20(2,3)17-15(23)9-14(22)16-18(24)13(10-25-19(16)17)11-5-7-12(21)8-6-11/h4-10,21-23H,1H2,2-3H3
InChIKey PONIGBFVAFAGSR-UHFFFAOYSA-N
Instrument Name JEOL JMS AX505HA double-focusing
Ionization Type EI
Literature Reference DOI 10.1021/np0206108
Molecular Weight 338.359 g/mol
Reported Formula C20H18O5
SMILES Oc1c2C(C(c3ccc(cc3)O)=COc2c(c(c1)O)C(C=C)(C)C)=O
SPLASH splash10-00di-0009000000-19ccd02b1b9382b8d2f1
Source of Spectrum G4-67-405-2
Wiley ID 1881667