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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethoxyphenyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID 7J43TtfWSQ1
InChI InChI=1S/C18H18F8O6/c1-29-10-5-3-6-11(30-2)14(10)32-13(28)8-4-7-12(27)31-9-16(21,22)18(25,26)17(23,24)15(19)20/h3,5-6,15H,4,7-9H2,1-2H3
InChIKey MHWXXYILMWJQJY-UHFFFAOYSA-N
Mol Weight 482.32 g/mol
Molecular Formula C18H18F8O6
Exact Mass 482.097564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBkkfLkU0GQ
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.097563598 u
Formula C18H18F8O6
InChI InChI=1S/C18H18F8O6/c1-29-10-5-3-6-11(30-2)14(10)32-13(28)8-4-7-12(27)31-9-16(21,22)18(25,26)17(23,24)15(19)20/h3,5-6,15H,4,7-9H2,1-2H3
InChIKey MHWXXYILMWJQJY-UHFFFAOYSA-N
Molecular Weight 482.323 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C=CC=C1OC)OC)=O