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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,7-dimethyloctyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,7-dimethyloctyl ester
SpectraBase Compound ID A9uxtLVVF12
InChI InChI=1S/C20H30F8O4/c1-13(2)6-4-7-14(3)10-11-31-15(29)8-5-9-16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h13-14,17H,4-12H2,1-3H3
InChIKey OFXNBQAYKCBIOC-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 3N3H82WGHK
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,7-dimethyloctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.201634746 u
Formula C20H30F8O4
InChI InChI=1S/C20H30F8O4/c1-13(2)6-4-7-14(3)10-11-31-15(29)8-5-9-16(30)32-12-18(23,24)20(27,28)19(25,26)17(21)22/h13-14,17H,4-12H2,1-3H3
InChIKey OFXNBQAYKCBIOC-UHFFFAOYSA-N
Molecular Weight 486.443 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCCC(CCCC(C)C)C)=O