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RAC-(EBTHI)-ZR-(NHCME3)-(3,5-DIISOPROPYLPHENYL)

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RAC-(EBTHI)-ZR-(NHCME3)-(3,5-DIISOPROPYLPHENYL)
SpectraBase Compound ID CVIbwqrgSps
InChI InChI=1S/C20H22.C12H17.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-4(2,3)5;/h9-10H,1-8,13-14H2;6-10H,1-4H3;5H,1-3H3;/q;;-1;+1
InChIKey INTPMTOMUBHVPO-UHFFFAOYSA-N
Mol Weight 587.0 g/mol
Molecular Formula C36H49NZr
Exact Mass 585.291199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ly0VD4jtuRZ
Name RAC-(EBTHI)-ZR-(NHCME3)-(3,5-DIISOPROPYLPHENYL)
Compound Number 1O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H49NZr
InChI InChI=1S/C20H22.C12H17.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-4(2,3)5;/h9-10H,1-8,13-14H2;6-10H,1-4H3;5H,1-3H3;/q;;-1;+1
InChIKey INTPMTOMUBHVPO-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 587.012 g/mol
Sample ID 27854
Solvent Unknown