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Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID DmF0U54UQPL
InChI InChI=1S/C15H7Cl3F8O4/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/h1-4,12H,5H2/b2-1+
InChIKey LKZFADVGKKDHAF-OWOJBTEDSA-N
Mol Weight 509.56 g/mol
Molecular Formula C15H7Cl3F8O4
Exact Mass 507.928217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BynWJ5GJv8P
Name Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 507.928217105 u
Formula C15H7Cl3F8O4
InChI InChI=1S/C15H7Cl3F8O4/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/h1-4,12H,5H2/b2-1+
InChIKey LKZFADVGKKDHAF-OWOJBTEDSA-N
Molecular Weight 509.563 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O