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Fumaric acid, 3-methylbutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, 3-methylbutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID JFkwcAECNpB
InChI InChI=1S/C14H16F8O4/c1-8(2)5-6-25-9(23)3-4-10(24)26-7-12(17,18)14(21,22)13(19,20)11(15)16/h3-4,8,11H,5-7H2,1-2H3/b4-3+
InChIKey IVRZADLFRIWRDA-ONEGZZNKSA-N
Mol Weight 400.27 g/mol
Molecular Formula C14H16F8O4
Exact Mass 400.092084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7dXe8ldCeb
Name Fumaric acid, 3-methylbutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.092084295 u
Formula C14H16F8O4
InChI InChI=1S/C14H16F8O4/c1-8(2)5-6-25-9(23)3-4-10(24)26-7-12(17,18)14(21,22)13(19,20)11(15)16/h3-4,8,11H,5-7H2,1-2H3/b4-3+
InChIKey IVRZADLFRIWRDA-ONEGZZNKSA-N
Molecular Weight 400.265 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OCCC(C)C)=O