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

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methylcyclohexyl ester
SpectraBase Compound ID 2uxRPXWPsXe
InChI InChI=1S/C17H22F8O4/c1-10-5-7-11(8-6-10)29-13(27)4-2-3-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h10-11,14H,2-9H2,1H3
InChIKey XEZPAXPQYIQLIG-UHFFFAOYSA-N
Mol Weight 442.35 g/mol
Molecular Formula C17H22F8O4
Exact Mass 442.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VBAF9X3mHQ
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-methylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.139034488 u
Formula C17H22F8O4
InChI InChI=1S/C17H22F8O4/c1-10-5-7-11(8-6-10)29-13(27)4-2-3-12(26)28-9-15(20,21)17(24,25)16(22,23)14(18)19/h10-11,14H,2-9H2,1H3
InChIKey XEZPAXPQYIQLIG-UHFFFAOYSA-N
Molecular Weight 442.346 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1CCC(CC1)C)=O