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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dichlorophenyl ester
SpectraBase Compound ID 6p4L34fb9yq
InChI InChI=1S/C16H12Cl2F8O4/c17-8-3-1-4-9(18)12(8)30-11(28)6-2-5-10(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h1,3-4,13H,2,5-7H2
InChIKey PNZRYVQPDLTCQP-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 CVIwgRWfA3
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,6-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.998489566 u
Formula C16H12Cl2F8O4
InChI InChI=1S/C16H12Cl2F8O4/c17-8-3-1-4-9(18)12(8)30-11(28)6-2-5-10(27)29-7-14(21,22)16(25,26)15(23,24)13(19)20/h1,3-4,13H,2,5-7H2
InChIKey PNZRYVQPDLTCQP-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=C(C=CC=C1Cl)Cl)=O