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2'-Hydroxyflavanone, heptafluorobutyrate

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2'-Hydroxyflavanone, heptafluorobutyrate
SpectraBase Compound ID 3lSi3SoTKCW
InChI InChI=1S/C19H11F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-14-8-4-2-6-11(14)15-9-12(27)10-5-1-3-7-13(10)29-15/h1-8,15H,9H2
InChIKey FULAMWBGJQXNBD-UHFFFAOYSA-N
Mol Weight 436.28 g/mol
Molecular Formula C19H11F7O4
Exact Mass 436.054556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGB0zs3KKKk
Name 2'-Hydroxyflavanone, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 436.054555971 u
Formula C19H11F7O4
InChI InChI=1S/C19H11F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-14-8-4-2-6-11(14)15-9-12(27)10-5-1-3-7-13(10)29-15/h1-8,15H,9H2
InChIKey FULAMWBGJQXNBD-UHFFFAOYSA-N
Molecular Weight 436.282 g/mol
SMILES C12=CC=CC=C2C(CC(O1)C1=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O