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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorophenyl ester
SpectraBase Compound ID Bf0D9UIiRd6
InChI InChI=1S/C16H9F13O4/c17-7-8(18)10(20)12(11(21)9(7)19)33-6(31)3-1-2-5(30)32-4-14(24,25)16(28,29)15(26,27)13(22)23/h13H,1-4H2
InChIKey LMYSMQVKPSDHMA-UHFFFAOYSA-N
Mol Weight 512.22 g/mol
Molecular Formula C16H9F13O4
Exact Mass 512.029325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EJzfifduss
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.029324885 u
Formula C16H9F13O4
InChI InChI=1S/C16H9F13O4/c17-7-8(18)10(20)12(11(21)9(7)19)33-6(31)3-1-2-5(30)32-4-14(24,25)16(28,29)15(26,27)13(22)23/h13H,1-4H2
InChIKey LMYSMQVKPSDHMA-UHFFFAOYSA-N
Molecular Weight 512.223 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O