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5'-Fluoro-2'-hydroxy-4-methylchalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

5'-Fluoro-2'-hydroxy-4-methylchalcone, pentafluoropropionate
SpectraBase Compound ID 1ayVPwUJfhN
InChI InChI=1S/C19H12F6O3/c1-11-2-4-12(5-3-11)6-8-15(26)14-10-13(20)7-9-16(14)28-17(27)18(21,22)19(23,24)25/h2-10H,1H3/b8-6+
InChIKey NVOSGOMNALSTIZ-SOFGYWHQSA-N
Mol Weight 402.29 g/mol
Molecular Formula C19H12F6O3
Exact Mass 402.069063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oPPAv8O0H7
Name 5'-Fluoro-2'-hydroxy-4-methylchalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 402.069063221 u
Formula C19H12F6O3
InChI InChI=1S/C19H12F6O3/c1-11-2-4-12(5-3-11)6-8-15(26)14-10-13(20)7-9-16(14)28-17(27)18(21,22)19(23,24)25/h2-10H,1H3/b8-6+
InChIKey NVOSGOMNALSTIZ-SOFGYWHQSA-N
Molecular Weight 402.292 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)F)C(\C=C\C1=CC=C(C=C1)C)=O