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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenoxybenzyl ester
SpectraBase Compound ID DFtxOP6oykd
InChI InChI=1S/C23H20F8O5/c24-20(25)22(28,29)23(30,31)21(26,27)14-35-19(33)11-5-10-18(32)34-13-15-6-4-9-17(12-15)36-16-7-2-1-3-8-16/h1-4,6-9,12,20H,5,10-11,13-14H2
InChIKey HUMXYTVTGXOEMU-UHFFFAOYSA-N
Mol Weight 528.4 g/mol
Molecular Formula C23H20F8O5
Exact Mass 528.118299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PfrppEJnIJ
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.118299043 u
Formula C23H20F8O5
InChI InChI=1S/C23H20F8O5/c24-20(25)22(28,29)23(30,31)21(26,27)14-35-19(33)11-5-10-18(32)34-13-15-6-4-9-17(12-15)36-16-7-2-1-3-8-16/h1-4,6-9,12,20H,5,10-11,13-14H2
InChIKey HUMXYTVTGXOEMU-UHFFFAOYSA-N
Molecular Weight 528.395 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O