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Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 7QiEXsYz2fE
InChI InChI=1S/C20H30F8O4/c1-2-3-4-5-6-7-10-13-31-15(29)11-8-9-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h17H,2-14H2,1H3
InChIKey ADYXIWWLNXKHOY-UHFFFAOYSA-N
Mol Weight 486.44 g/mol
Molecular Formula C20H30F8O4
Exact Mass 486.201635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FsxdobGgeZ
Name Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.201634746 u
Formula C20H30F8O4
InChI InChI=1S/C20H30F8O4/c1-2-3-4-5-6-7-10-13-31-15(29)11-8-9-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h17H,2-14H2,1H3
InChIKey ADYXIWWLNXKHOY-UHFFFAOYSA-N
Molecular Weight 486.443 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCCCCCCCCC)=O