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Glutaric acid, 2,2,3,3-tetrafluoropropyl pentafluorophenyl ester
SpectraBase Compound ID AFdJd8UBSm6
InChI InChI=1S/C14H9F9O4/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 ZHEINLAUAHFIDW-UHFFFAOYSA-N
Mol Weight 412.21 g/mol
Molecular Formula C14H9F9O4
Exact Mass 412.035712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EultCpqcGT
Name Glutaric acid, 2,2,3,3-tetrafluoropropyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.035712233 u
Formula C14H9F9O4
InChI InChI=1S/C14H9F9O4/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 ZHEINLAUAHFIDW-UHFFFAOYSA-N
Molecular Weight 412.208 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O