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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-tert-butylcyclohexyl ester

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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-tert-butylcyclohexyl ester
SpectraBase Compound ID 8trGrOUB9pl
InChI InChI=1S/C20H28F8O4/c1-17(2,3)12-7-4-5-8-13(12)32-15(30)10-6-9-14(29)31-11-18(23,24)20(27,28)19(25,26)16(21)22/h12-13,16H,4-11H2,1-3H3
InChIKey JOFRTZOLBKQLGG-UHFFFAOYSA-N
Mol Weight 484.43 g/mol
Molecular Formula C20H28F8O4
Exact Mass 484.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkUtPY992xU
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.185984682 u
Formula C20H28F8O4
InChI InChI=1S/C20H28F8O4/c1-17(2,3)12-7-4-5-8-13(12)32-15(30)10-6-9-14(29)31-11-18(23,24)20(27,28)19(25,26)16(21)22/h12-13,16H,4-11H2,1-3H3
InChIKey JOFRTZOLBKQLGG-UHFFFAOYSA-N
Molecular Weight 484.427 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1C(CCCC1)C(C)(C)C)=O