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6-Hydroxyflavone, heptafluorobutyrate

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6-Hydroxyflavone, heptafluorobutyrate
SpectraBase Compound ID Epsq7UrYsaC
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)29-11-6-7-14-12(8-11)13(27)9-15(30-14)10-4-2-1-3-5-10/h1-9H
InChIKey NQUBTJUKNPMLOS-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C19H9F7O4
Exact Mass 434.038906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQQgGJAEH7e
Name 6-Hydroxyflavone, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 434.038905907 u
Formula C19H9F7O4
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)29-11-6-7-14-12(8-11)13(27)9-15(30-14)10-4-2-1-3-5-10/h1-9H
InChIKey NQUBTJUKNPMLOS-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1=C(C=CC=C1)C1=CC(C2=CC(=CC=C2O1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O