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4'-Chloro-2-hydroxy-4-methoxybenzophenone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4'-Chloro-2-hydroxy-4-methoxybenzophenone, pentafluoropropionate
SpectraBase Compound ID 12Jste0tjYu
InChI InChI=1S/C17H10ClF5O4/c1-26-11-6-7-12(14(24)9-2-4-10(18)5-3-9)13(8-11)27-15(25)16(19,20)17(21,22)23/h2-8H,1H3
InChIKey LEQYEWLQNWQLGG-UHFFFAOYSA-N
Mol Weight 408.71 g/mol
Molecular Formula C17H10ClF5O4
Exact Mass 408.018777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyK2oQLBPfF
Name 4'-Chloro-2-hydroxy-4-methoxybenzophenone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 408.018777313 u
Formula C17H10ClF5O4
InChI InChI=1S/C17H10ClF5O4/c1-26-11-6-7-12(14(24)9-2-4-10(18)5-3-9)13(8-11)27-15(25)16(19,20)17(21,22)23/h2-8H,1H3
InChIKey LEQYEWLQNWQLGG-UHFFFAOYSA-N
Molecular Weight 408.708 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=C(C=C1)OC)OC(C(C(F)(F)F)(F)F)=O