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CYCLOHEXYL-3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-BENZOATE
SpectraBase Compound ID 2LCKfB8ozu1
InChI InChI=1S/C20H17F13O2/c21-16(22,17(23,24)20(31,32)33)15(18(25,26)27,19(28,29)30)10-11-5-4-6-12(9-11)14(34)35-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKey CDULKYHIVSLHLT-UHFFFAOYSA-N
Mol Weight 536.33 g/mol
Molecular Formula C20H17F13O2
Exact Mass 536.102096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLI9UswJyHe
Name CYCLOHEXYL-3-[(PERFLUORO-2-METHYLPENTAN-2-YL)-METHYL]-BENZOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17F13O2
InChI InChI=1S/C20H17F13O2/c21-16(22,17(23,24)20(31,32)33)15(18(25,26)27,19(28,29)30)10-11-5-4-6-12(9-11)14(34)35-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKey CDULKYHIVSLHLT-UHFFFAOYSA-N
Literature Reference Author R.D.CHAMBERS,C.MAGRON,G.SANDFORD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,283(1999)
Literature Reference DOI 10.1039/a808700h
Molecular Weight 536.333 g/mol
Solvent CD3CN
Source File Reference UWKP2194