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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,2-trichloroethyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID IWlE1znfXDP
InChI InChI=1S/C11H9Cl3F8O4/c12-9(13,14)4-26-6(24)2-1-5(23)25-3-8(17,18)11(21,22)10(19,20)7(15)16/h7H,1-4H2
InChIKey IJDSUOAQGAWQMZ-UHFFFAOYSA-N
Mol Weight 463.54 g/mol
Molecular Formula C11H9Cl3F8O4
Exact Mass 461.943867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QGPVp11gwk
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.943867170 u
Formula C11H9Cl3F8O4
InChI InChI=1S/C11H9Cl3F8O4/c12-9(13,14)4-26-6(24)2-1-5(23)25-3-8(17,18)11(21,22)10(19,20)7(15)16/h7H,1-4H2
InChIKey IJDSUOAQGAWQMZ-UHFFFAOYSA-N
Molecular Weight 463.535 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC(Cl)(Cl)Cl)=O