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4-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-ANILINE
SpectraBase Compound ID KDKKK68Wha4
InChI InChI=1S/C13H8F13N/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(27)4-2-6/h1-4H,5,27H2
InChIKey ROVNHKCCYHOFIY-UHFFFAOYSA-N
Mol Weight 425.19 g/mol
Molecular Formula C13H8F13N
Exact Mass 425.044915 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaqhbOtWr7n
Name 4-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-ANILINE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F13N
InChI InChI=1S/C13H8F13N/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-1-3-7(27)4-2-6/h1-4H,5,27H2
InChIKey ROVNHKCCYHOFIY-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
Solvent ACETONE-D6
Source File Reference UWKP2196