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Adipic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

View entire compound with spectra: 1 NMR

Adipic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
SpectraBase Compound ID Ap7dUlDZakW
InChI InChI=1S/C16H14F16O4/c17-9(18)13(25,26)15(29,30)11(21,22)5-35-7(33)3-1-2-4-8(34)36-6-12(23,24)16(31,32)14(27,28)10(19)20/h9-10H,1-6H2
InChIKey NJUJKXGBKIJBHG-UHFFFAOYSA-N
Mol Weight 574.26 g/mol
Molecular Formula C16H14F16O4
Exact Mass 574.06366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvxQyCQvPeY
Name Adipic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.063659535 u
Formula C16H14F16O4
InChI InChI=1S/C16H14F16O4/c17-9(18)13(25,26)15(29,30)11(21,22)5-35-7(33)3-1-2-4-8(34)36-6-12(23,24)16(31,32)14(27,28)10(19)20/h9-10H,1-6H2
InChIKey NJUJKXGBKIJBHG-UHFFFAOYSA-N
Molecular Weight 574.258 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O