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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,6-trichlorophenyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID HhCLsGP1y7f
InChI InChI=1S/C15H9Cl3F8O4/c16-6-3-7(17)11(8(18)4-6)30-10(28)2-1-9(27)29-5-13(21,22)15(25,26)14(23,24)12(19)20/h3-4,12H,1-2,5H2
InChIKey FPFROZHDIULWQO-UHFFFAOYSA-N
Mol Weight 511.58 g/mol
Molecular Formula C15H9Cl3F8O4
Exact Mass 509.943867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPVtgslvOQW
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 509.943867170 u
Formula C15H9Cl3F8O4
InChI InChI=1S/C15H9Cl3F8O4/c16-6-3-7(17)11(8(18)4-6)30-10(28)2-1-9(27)29-5-13(21,22)15(25,26)14(23,24)12(19)20/h3-4,12H,1-2,5H2
InChIKey FPFROZHDIULWQO-UHFFFAOYSA-N
Molecular Weight 511.579 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O