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2,2,2-Tris(2,6-dimethyl-phenoxy)-3-tert-butyl-3-titana-tricyclo(4.2.1.0/2,5/)nonane
SpectraBase Compound ID IEaV1luPjqI
InChI InChI=1S/C12H20.3C8H10O.Ta/c1-12(2,3)8-11-7-9-4-5-10(11)6-9;3*1-6-4-3-5-7(2)8(6)9;/h7-11H,4-6H2,1-3H3;3*3-5,9H,1-2H3;/q;;;;+3/p-3
InChIKey BBTNUUJYKCXAPB-UHFFFAOYSA-K
Mol Weight 708.7 g/mol
Molecular Formula C36H47O3Ta
Exact Mass 708.30052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AU1JjzVD4wb
Name 2,2,2-Tris(2,6-dimethyl-phenoxy)-3-tert-butyl-3-titana-tricyclo(4.2.1.0/2,5/)nonane
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Formula C36H47O3Ta
InChI InChI=1S/C12H20.3C8H10O.Ta/c1-12(2,3)8-11-7-9-4-5-10(11)6-9;3*1-6-4-3-5-7(2)8(6)9;/h7-11H,4-6H2,1-3H3;3*3-5,9H,1-2H3;/q;;;;+3/p-3
InChIKey BBTNUUJYKCXAPB-UHFFFAOYSA-K
Instrument Name SF = 250 MHz
Literature Reference K.C. Wallace, A.H. Liu, J.C.Dewan, J. Am. Chem. Soc. 110, 4964 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6