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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,5-dichlorophenyl ester
SpectraBase Compound ID 9Kddp7v38oa
InChI InChI=1S/C16H12Cl2F8O4/c17-8-4-9(18)6-10(5-8)30-12(28)3-1-2-11(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h4-6,13H,1-3,7H2
InChIKey WISXHBRTFJHPFN-UHFFFAOYSA-N
Mol Weight 491.16 g/mol
Molecular Formula C16H12Cl2F8O4
Exact Mass 489.99849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IZC9kW08sN
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3,5-dichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.998489566 u
Formula C16H12Cl2F8O4
InChI InChI=1S/C16H12Cl2F8O4/c17-8-4-9(18)6-10(5-8)30-12(28)3-1-2-11(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h4-6,13H,1-3,7H2
InChIKey WISXHBRTFJHPFN-UHFFFAOYSA-N
Molecular Weight 491.161 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=CC(=CC(=C1)Cl)Cl)=O