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Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID H8NlAfc6yWv
InChI InChI=1S/C17H14F8O6/c1-28-9-4-3-5-10(29-2)13(9)31-12(27)7-6-11(26)30-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b7-6+
InChIKey MWWNADKBBFZCHQ-VOTSOKGWSA-N
Mol Weight 466.28 g/mol
Molecular Formula C17H14F8O6
Exact Mass 466.066263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTCVE8ysLbe
Name Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.066263469 u
Formula C17H14F8O6
InChI InChI=1S/C17H14F8O6/c1-28-9-4-3-5-10(29-2)13(9)31-12(27)7-6-11(26)30-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b7-6+
InChIKey MWWNADKBBFZCHQ-VOTSOKGWSA-N
Molecular Weight 466.280 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=C(C=CC=C1OC)OC)=O