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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl ester
SpectraBase Compound ID CNUkgUVOcSz
InChI InChI=1S/C18H18F8O4/c1-10-5-3-6-12(11(10)2)30-14(28)8-4-7-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h3,5-6,15H,4,7-9H2,1-2H3
InChIKey VMQPBOKBZGYPPN-UHFFFAOYSA-N
Mol Weight 450.33 g/mol
Molecular Formula C18H18F8O4
Exact Mass 450.107734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4LhF3fBbmp
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.107734360 u
Formula C18H18F8O4
InChI InChI=1S/C18H18F8O4/c1-10-5-3-6-12(11(10)2)30-14(28)8-4-7-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h3,5-6,15H,4,7-9H2,1-2H3
InChIKey VMQPBOKBZGYPPN-UHFFFAOYSA-N
Molecular Weight 450.325 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C(C)=CC=C1)C)=O