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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-ethylcyclohexyl ester
SpectraBase Compound ID IWHTpLiTIqb
InChI InChI=1S/C18H24F8O4/c1-2-11-6-3-4-7-12(11)30-14(28)9-5-8-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h11-12,15H,2-10H2,1H3
InChIKey YJFWHVNEBIUNSZ-UHFFFAOYSA-N
Mol Weight 456.37 g/mol
Molecular Formula C18H24F8O4
Exact Mass 456.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gxC9ZcFvlV
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-ethylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.154684553 u
Formula C18H24F8O4
InChI InChI=1S/C18H24F8O4/c1-2-11-6-3-4-7-12(11)30-14(28)9-5-8-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h11-12,15H,2-10H2,1H3
InChIKey YJFWHVNEBIUNSZ-UHFFFAOYSA-N
Molecular Weight 456.373 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1C(CC)CCCC1)=O