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Glutaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Glutaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID FOLQ35T3I9g
InChI InChI=1S/C22H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-33-17(31)13-12-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h19H,2-16H2,1H3
InChIKey PJENGLAOUALCPL-UHFFFAOYSA-N
Mol Weight 514.5 g/mol
Molecular Formula C22H34F8O4
Exact Mass 514.232935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eORMdFY3IA
Name Glutaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.232934875 u
Formula C22H34F8O4
InChI InChI=1S/C22H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-33-17(31)13-12-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h19H,2-16H2,1H3
InChIKey PJENGLAOUALCPL-UHFFFAOYSA-N
Molecular Weight 514.497 g/mol
SMILES CCCCCCCCCCCCOC(CCCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)=O