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RAC-(EBTHI)-ZR-(NHCME3)-(MESITYL)

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RAC-(EBTHI)-ZR-(NHCME3)-(MESITYL)
SpectraBase Compound ID AGT5v6q2eil
InChI InChI=1S/C20H22.C9H11.C4H10N.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-7-4-8(2)6-9(3)5-7;1-4(2,3)5;/h9-10H,1-8,13-14H2;4-6H,1H2,2-3H3;5H,1-3H3;/q;;-1;+1
InChIKey BIQOYJQHDPLCLH-UHFFFAOYSA-N
Mol Weight 544.9 g/mol
Molecular Formula C33H43NZr
Exact Mass 543.244249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xRT7bk6b6K
Name RAC-(EBTHI)-ZR-(NHCME3)-(MESITYL)
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H43NZr
InChI InChI=1S/C20H22.C9H11.C4H10N.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-7-4-8(2)6-9(3)5-7;1-4(2,3)5;/h9-10H,1-8,13-14H2;4-6H,1H2,2-3H3;5H,1-3H3;/q;;-1;+1
InChIKey BIQOYJQHDPLCLH-UHFFFAOYSA-N
Literature Reference Author H.M.HOYT,F.E.MICHAEL,R.G.BERGMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,1018(2004)
Literature Reference DOI 10.1021/ja0385944
Molecular Weight 544.931 g/mol
Sample ID 27849
Solvent Unknown