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Phthalic acid, di(pentafluorophenyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(pentafluorophenyl) ester
SpectraBase Compound ID KDDFkpReT9l
InChI InChI=1S/C20H4F10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-3-1-2-4-6(5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H
InChIKey XNHCTIRBMWXOHR-UHFFFAOYSA-N
Mol Weight 498.23 g/mol
Molecular Formula C20H4F10O4
Exact Mass 497.99499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8YApNy8HAr
Name Phthalic acid, di(pentafluorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 497.994990235 u
Formula C20H4F10O4
InChI InChI=1S/C20H4F10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-3-1-2-4-6(5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H
InChIKey XNHCTIRBMWXOHR-UHFFFAOYSA-N
Molecular Weight 498.232 g/mol
SMILES C1=CC=CC(=C1C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O