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Fumaric acid, 3-(2-methoxyethyl)heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, 3-(2-methoxyethyl)heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 6QtjCTkxaEo
InChI InChI=1S/C20H28F8O5/c1-3-4-6-14(10-12-31-2)7-5-11-32-15(29)8-9-16(30)33-13-18(23,24)20(27,28)19(25,26)17(21)22/h8-9,14,17H,3-7,10-13H2,1-2H3/b9-8+
InChIKey DZLWHTMILUZOQP-CMDGGOBGSA-N
Mol Weight 500.43 g/mol
Molecular Formula C20H28F8O5
Exact Mass 500.180899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fif3BcFFCz
Name Fumaric acid, 3-(2-methoxyethyl)heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.180899301 u
Formula C20H28F8O5
InChI InChI=1S/C20H28F8O5/c1-3-4-6-14(10-12-31-2)7-5-11-32-15(29)8-9-16(30)33-13-18(23,24)20(27,28)19(25,26)17(21)22/h8-9,14,17H,3-7,10-13H2,1-2H3/b9-8+
InChIKey DZLWHTMILUZOQP-CMDGGOBGSA-N
Molecular Weight 500.426 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OCCCC(CCCC)CCOC)=O