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1,1,1-Tris(2,6-diisopropyl-phenoxy)-3-tert-butyl-2-oxa-1-titana-cyclohexane

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1,1,1-Tris(2,6-diisopropyl-phenoxy)-3-tert-butyl-2-oxa-1-titana-cyclohexane
SpectraBase Compound ID 6ItBylBAiMV
InChI InChI=1S/3C12H18O.C8H16O.Ta/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-5-6-7(9)8(2,3)4;/h3*5-9,13H,1-4H3;7H,1,5-6H2,2-4H3;/q;;;-1;+4/p-3
InChIKey OAYWDBXSSACFQG-UHFFFAOYSA-K
Mol Weight 841.0 g/mol
Molecular Formula C44H67O4Ta
Exact Mass 840.451936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3L4XOPpWgbI
Name 1,1,1-Tris(2,6-diisopropyl-phenoxy)-3-tert-butyl-2-oxa-1-titana-cyclohexane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H67O4Ta
InChI InChI=1S/3C12H18O.C8H16O.Ta/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-5-6-7(9)8(2,3)4;/h3*5-9,13H,1-4H3;7H,1,5-6H2,2-4H3;/q;;;-1;+4/p-3
InChIKey OAYWDBXSSACFQG-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