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Fumaric acid, dipentafluorophenyl ester

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Fumaric acid, dipentafluorophenyl ester
SpectraBase Compound ID FezSFzV8BZH
InChI InChI=1S/C16H2F10O4/c17-5-7(19)11(23)15(12(24)8(5)20)29-3(27)1-2-4(28)30-16-13(25)9(21)6(18)10(22)14(16)26/h1-2H/b2-1+
InChIKey FYFBDXSBTQNZDS-OWOJBTEDSA-N
Mol Weight 448.17 g/mol
Molecular Formula C16H2F10O4
Exact Mass 447.97934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ymfbowgHgt
Name Fumaric acid, dipentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.979340170 u
Formula C16H2F10O4
InChI InChI=1S/C16H2F10O4/c17-5-7(19)11(23)15(12(24)8(5)20)29-3(27)1-2-4(28)30-16-13(25)9(21)6(18)10(22)14(16)26/h1-2H/b2-1+
InChIKey FYFBDXSBTQNZDS-OWOJBTEDSA-N
Molecular Weight 448.172 g/mol
SMILES C(OC1=C(C(=C(C(=C1F)F)F)F)F)(\C=C\C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O