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

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Glutaric acid, 3,5-dimethylcyclohexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 7MaUh4wTqtN
InChI InChI=1S/C18H24F8O4/c1-10-6-11(2)8-12(7-10)30-14(28)5-3-4-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h10-12,15H,3-9H2,1-2H3
InChIKey WGYHBUBPLMOJIR-UHFFFAOYSA-N
Mol Weight 456.37 g/mol
Molecular Formula C18H24F8O4
Exact Mass 456.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCVfTnXpx9m
Name Glutaric acid, 3,5-dimethylcyclohexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.154684553 u
Formula C18H24F8O4
InChI InChI=1S/C18H24F8O4/c1-10-6-11(2)8-12(7-10)30-14(28)5-3-4-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h10-12,15H,3-9H2,1-2H3
InChIKey WGYHBUBPLMOJIR-UHFFFAOYSA-N
Molecular Weight 456.373 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1CC(C)CC(C)C1)=O