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2'-Hydroxy-5'-methyl-2-methoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-5'-methyl-2-methoxychalcone, pentafluoropropionate
SpectraBase Compound ID 4YcLGVlJmHO
InChI InChI=1S/C20H15F5O4/c1-12-7-10-17(29-18(27)19(21,22)20(23,24)25)14(11-12)15(26)9-8-13-5-3-4-6-16(13)28-2/h3-11H,1-2H3/b9-8+
InChIKey NLXFSFLFUWCAKK-CMDGGOBGSA-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 6ychPvbA6ya
Name 2'-Hydroxy-5'-methyl-2-methoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 414.089049774 u
Formula C20H15F5O4
InChI InChI=1S/C20H15F5O4/c1-12-7-10-17(29-18(27)19(21,22)20(23,24)25)14(11-12)15(26)9-8-13-5-3-4-6-16(13)28-2/h3-11H,1-2H3/b9-8+
InChIKey NLXFSFLFUWCAKK-CMDGGOBGSA-N
Molecular Weight 414.328 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)C)C(\C=C\C1=CC=CC=C1OC)=O