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

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Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
SpectraBase Compound ID 3zsDCsS5Xm6
InChI InChI=1S/C20H28F8O4/c1-2-3-4-5-6-7-8-9-10-13-31-15(29)11-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h11-12,17H,2-10,13-14H2,1H3/b12-11+
InChIKey YUSCWXMPPJBOBL-VAWYXSNFSA-N
Mol Weight 484.43 g/mol
Molecular Formula C20H28F8O4
Exact Mass 484.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9lIUS3NHlN
Name Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.185984682 u
Formula C20H28F8O4
InChI InChI=1S/C20H28F8O4/c1-2-3-4-5-6-7-8-9-10-13-31-15(29)11-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h11-12,17H,2-10,13-14H2,1H3/b12-11+
InChIKey YUSCWXMPPJBOBL-VAWYXSNFSA-N
Molecular Weight 484.427 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O