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

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Fumaric acid, 2-(2-methoxyethyl)hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 4XXyYiZry8B
InChI InChI=1S/C18H24F8O5/c1-3-4-5-12(8-9-29-2)10-30-13(27)6-7-14(28)31-11-16(21,22)18(25,26)17(23,24)15(19)20/h6-7,12,15H,3-5,8-11H2,1-2H3/b7-6+
InChIKey GYNNJQIEDIQPAY-VOTSOKGWSA-N
Mol Weight 472.37 g/mol
Molecular Formula C18H24F8O5
Exact Mass 472.149599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKzD2jGfDTA
Name Fumaric acid, 2-(2-methoxyethyl)hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.149599172 u
Formula C18H24F8O5
InChI InChI=1S/C18H24F8O5/c1-3-4-5-12(8-9-29-2)10-30-13(27)6-7-14(28)31-11-16(21,22)18(25,26)17(23,24)15(19)20/h6-7,12,15H,3-5,8-11H2,1-2H3/b7-6+
InChIKey GYNNJQIEDIQPAY-VOTSOKGWSA-N
Molecular Weight 472.372 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OCC(CCCC)CCOC)=O