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

View entire compound with spectra: 1 NMR

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentachlorophenyl ester
SpectraBase Compound ID 6Lz3CGFqF0v
InChI InChI=1S/C15H7Cl5F8O4/c16-6-7(17)9(19)11(10(20)8(6)18)32-5(30)2-1-4(29)31-3-13(23,24)15(27,28)14(25,26)12(21)22/h12H,1-3H2
InChIKey YSKVIVKLNSYSJT-UHFFFAOYSA-N
Mol Weight 580.5 g/mol
Molecular Formula C15H7Cl5F8O4
Exact Mass 577.865923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LigXLR6mzZ3
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 577.865922505 u
Formula C15H7Cl5F8O4
InChI InChI=1S/C15H7Cl5F8O4/c16-6-7(17)9(19)11(10(20)8(6)18)32-5(30)2-1-4(29)31-3-13(23,24)15(27,28)14(25,26)12(21)22/h12H,1-3H2
InChIKey YSKVIVKLNSYSJT-UHFFFAOYSA-N
Molecular Weight 580.469 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O