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3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-NITROBENZENE

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3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-NITROBENZENE
SpectraBase Compound ID 37VY1aMicRB
InChI InChI=1S/C13H6F13NO2/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-2-1-3-7(4-6)27(28)29/h1-4H,5H2
InChIKey SBMXFFOINBYURR-UHFFFAOYSA-N
Mol Weight 455.18 g/mol
Molecular Formula C13H6F13NO2
Exact Mass 455.019095 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hKfdVJfhG0
Name 3-[(PERFLUORO-2-METHYLPENTAN-2-YL)METHYL]-NITROBENZENE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H6F13NO2
InChI InChI=1S/C13H6F13NO2/c14-9(15,10(16,17)13(24,25)26)8(11(18,19)20,12(21,22)23)5-6-2-1-3-7(4-6)27(28)29/h1-4H,5H2
InChIKey SBMXFFOINBYURR-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 CD3CN
Source File Reference UWKP2184