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5-(Trifluoromethylazo)-trishomobarrelen-1-yl cation
SpectraBase Compound ID IJdq2d5P8F1
InChI InChI=1S/C12H12F3N2/c13-12(14,15)17-16-11-7-1-4(7)10(5-2-8(5)11)6-3-9(6)11/h4-9H,1-3H2/q+1/b17-16+/t4-,5-,6+,7-,8+,9-,11-/m0/s1
InChIKey KBSDYKWGSHXECH-CQDCBLNYSA-N
Mol Weight 241.24 g/mol
Molecular Formula C12H12F3N2
Exact Mass 241.095258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDHmxZZZxHu
Name 5-(Trifluoromethylazo)-trishomobarrelen-1-yl cation
Comments SOLVENT: SO2CLF/SBF5
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Formula C12H14F3N2
InChI InChI=1S/C12H12F3N2/c13-12(14,15)17-16-11-7-1-4(7)10(5-2-8(5)11)6-3-9(6)11/h4-9H,1-3H2/q+1/b17-16+/t4-,5-,6+,7-,8+,9-,11-/m0/s1
InChIKey KBSDYKWGSHXECH-CQDCBLNYSA-N
Literature Reference P. Goelitz, A. De Meijere, Angew. Chem. 93, 302 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent FSO3H/SBF5