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4'-Hydroxyflavanone, pentafluoropropionate

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4'-Hydroxyflavanone, pentafluoropropionate
SpectraBase Compound ID 1Oj7hThaVc4
InChI InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)26-11-7-5-10(6-8-11)15-9-13(24)12-3-1-2-4-14(12)27-15/h1-8,15H,9H2
InChIKey IHIKHTJTUQFVKE-UHFFFAOYSA-N
Mol Weight 386.27 g/mol
Molecular Formula C18H11F5O4
Exact Mass 386.05775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8X7UYzRggjs
Name 4'-Hydroxyflavanone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 386.057749645 u
Formula C18H11F5O4
InChI InChI=1S/C18H11F5O4/c19-17(20,18(21,22)23)16(25)26-11-7-5-10(6-8-11)15-9-13(24)12-3-1-2-4-14(12)27-15/h1-8,15H,9H2
InChIKey IHIKHTJTUQFVKE-UHFFFAOYSA-N
Molecular Weight 386.274 g/mol
SMILES C1(OC2=C(C(C1)=O)C=CC=C2)C1=CC=C(OC(C(C(F)(F)F)(F)F)=O)C=C1