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Glutaric acid, 2,2,3,3-tetrafluoropropyl pentachlorophenyl ester

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Glutaric acid, 2,2,3,3-tetrafluoropropyl pentachlorophenyl ester
SpectraBase Compound ID 4B1uOg4udHP
InChI InChI=1S/C14H9Cl5F4O4/c15-7-8(16)10(18)12(11(19)9(7)17)27-6(25)3-1-2-5(24)26-4-14(22,23)13(20)21/h13H,1-4H2
InChIKey IVVSDELVHRELMM-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C14H9Cl5F4O4
Exact Mass 491.88796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3rkvqsXKJ
Name Glutaric acid, 2,2,3,3-tetrafluoropropyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 491.887959918 u
Formula C14H9Cl5F4O4
InChI InChI=1S/C14H9Cl5F4O4/c15-7-8(16)10(18)12(11(19)9(7)17)27-6(25)3-1-2-5(24)26-4-14(22,23)13(20)21/h13H,1-4H2
InChIKey IVVSDELVHRELMM-UHFFFAOYSA-N
Molecular Weight 494.481 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O