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5'-Fluoro-2'-(heptafluorobutyryl)oxy-4-methylchalcone

View entire compound with spectra: 1 NMR

5'-Fluoro-2'-(heptafluorobutyryl)oxy-4-methylchalcone
SpectraBase Compound ID 8OZLz7ZtRK7
InChI InChI=1S/C20H12F8O3/c1-11-2-4-12(5-3-11)6-8-15(29)14-10-13(21)7-9-16(14)31-17(30)18(22,23)19(24,25)20(26,27)28/h2-10H,1H3/b8-6+
InChIKey VLDKHYGGDZJYHG-SOFGYWHQSA-N
Mol Weight 452.3 g/mol
Molecular Formula C20H12F8O3
Exact Mass 452.06587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80AGHE18Thp
Name 5'-Fluoro-2'-(heptafluorobutyryl)oxy-4-methylchalcone
Comments Computed using HOSE algorithm
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Exact Mass 452.065869547 u
Formula C20H12F8O3
InChI InChI=1S/C20H12F8O3/c1-11-2-4-12(5-3-11)6-8-15(29)14-10-13(21)7-9-16(14)31-17(30)18(22,23)19(24,25)20(26,27)28/h2-10H,1H3/b8-6+
InChIKey VLDKHYGGDZJYHG-SOFGYWHQSA-N
Molecular Weight 452.300 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)F)C(\C=C\C1=CC=C(C=C1)C)=O