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BIS-(DIETHYLAMIDO)-[ETA-(5):KAPPA-N-1-(N-TERT.-BUTYLAMIDO)-TERT.-BUTYLMETHYLCYCLOPENTADIENYL]-ZIRCONIUM
SpectraBase Compound ID 1APK4bPVoRl
InChI InChI=1S/C14H20N.2C4H10N.Zr/c1-13(2,3)12(15-14(4,5)6)11-9-7-8-10-11;2*1-3-5-4-2;/h9,12H,1-6H3;2*3-4H2,1-2H3;/q3*-1;+3/t12-;;;/m1.../s1
InChIKey PYHKGFYYZNRILZ-CSIATVMVSA-N
Mol Weight 437.8 g/mol
Molecular Formula C22H40N3Zr
Exact Mass 436.226922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zkh1y48Z73
Name BIS-(DIETHYLAMIDO)-[ETA-(5):KAPPA-N-1-(N-TERT.-BUTYLAMIDO)-TERT.-BUTYLMETHYLCYCLOPENTADIENYL]-ZIRCONIUM
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40N3Zr
InChI InChI=1S/C14H20N.2C4H10N.Zr/c1-13(2,3)12(15-14(4,5)6)11-9-7-8-10-11;2*1-3-5-4-2;/h9,12H,1-6H3;2*3-4H2,1-2H3;/q3*-1;+3/t12-;;;/m1.../s1
InChIKey PYHKGFYYZNRILZ-CSIATVMVSA-N
Literature Reference Author K.KUNZ,G.ERKER,S.DOERING,R.FROEHLICH,G.KEHR
Literature Reference Citation J.AM.CHEM.SOC.,123,6181(2001)
Literature Reference DOI 10.1021/ja0029634
Molecular Weight 437.800 g/mol
Solvent CD2Cl2
Source File Reference UWVN28002