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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methyl-5-methoxypentyl ester
SpectraBase Compound ID AyRzAUt7qvv
InChI InChI=1S/C17H24F8O5/c1-11(6-8-28-2)7-9-29-12(26)4-3-5-13(27)30-10-15(20,21)17(24,25)16(22,23)14(18)19/h11,14H,3-10H2,1-2H3
InChIKey XYQDKRCOUFSFAD-UHFFFAOYSA-N
Mol Weight 460.36 g/mol
Molecular Formula C17H24F8O5
Exact Mass 460.149599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6rCwse0ooI
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methyl-5-methoxypentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.149599172 u
Formula C17H24F8O5
InChI InChI=1S/C17H24F8O5/c1-11(6-8-28-2)7-9-29-12(26)4-3-5-13(27)30-10-15(20,21)17(24,25)16(22,23)14(18)19/h11,14H,3-10H2,1-2H3
InChIKey XYQDKRCOUFSFAD-UHFFFAOYSA-N
Molecular Weight 460.361 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCCC(C)CCOC)=O