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2'-(Pentafluoropropionyl)oxy-4-methoxy-5'-methylchalcone

View entire compound with spectra: 1 NMR

2'-(Pentafluoropropionyl)oxy-4-methoxy-5'-methylchalcone
SpectraBase Compound ID 8WCcr6Dv58T
InChI InChI=1S/C20H15F5O4/c1-12-3-10-17(29-18(27)19(21,22)20(23,24)25)15(11-12)16(26)9-6-13-4-7-14(28-2)8-5-13/h3-11H,1-2H3/b9-6+
InChIKey ZIJGQPIKEXEKFB-RMKNXTFCSA-N
Mol Weight 414.33 g/mol
Molecular Formula C20H15F5O4
Exact Mass 414.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NSRCVznPMy
Name 2'-(Pentafluoropropionyl)oxy-4-methoxy-5'-methylchalcone
Comments Computed using HOSE algorithm
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Exact Mass 414.089049774 u
Formula C20H15F5O4
InChI InChI=1S/C20H15F5O4/c1-12-3-10-17(29-18(27)19(21,22)20(23,24)25)15(11-12)16(26)9-6-13-4-7-14(28-2)8-5-13/h3-11H,1-2H3/b9-6+
InChIKey ZIJGQPIKEXEKFB-RMKNXTFCSA-N
Molecular Weight 414.328 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C=1C=CC(=CC1)OC)=O