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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chlorophenyl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chlorophenyl ester
SpectraBase Compound ID Fnrv6hnJvDL
InChI InChI=1S/C15H11ClF8O4/c16-8-3-1-2-4-9(8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-4,12H,5-7H2
InChIKey RJBOPEPUXSVIFI-UHFFFAOYSA-N
Mol Weight 442.69 g/mol
Molecular Formula C15H11ClF8O4
Exact Mass 442.021812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQgEC1He4mG
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.021811834 u
Formula C15H11ClF8O4
InChI InChI=1S/C15H11ClF8O4/c16-8-3-1-2-4-9(8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-4,12H,5-7H2
InChIKey RJBOPEPUXSVIFI-UHFFFAOYSA-N
Molecular Weight 442.689 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C=CC=CC1Cl)=O