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4'-Hydroxyflavanone, heptafluorobutyrate

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4'-Hydroxyflavanone, heptafluorobutyrate
SpectraBase Compound ID AAYsBYilyo5
InChI InChI=1S/C19H11F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)29-11-7-5-10(6-8-11)15-9-13(27)12-3-1-2-4-14(12)30-15/h1-8,15H,9H2
InChIKey HDNKTKNHXBNCJZ-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 J3grvAtCUgu
Name 4'-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)29-11-7-5-10(6-8-11)15-9-13(27)12-3-1-2-4-14(12)30-15/h1-8,15H,9H2
InChIKey HDNKTKNHXBNCJZ-UHFFFAOYSA-N
Molecular Weight 436.282 g/mol
SMILES C1(OC2=C(C(C1)=O)C=CC=C2)C1=CC=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C1