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RAC-(EBTHI)-ZR-F-(C9H9N2F4)
SpectraBase Compound ID ETcq6fAx4JH
InChI InChI=1S/C20H22.C9H9F4N2.FH.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(2,3)15-8-6(12)4(10)5(11)7(13)14-8;;/h9-10H,1-8,13-14H2;1-3H3;1H;/q;-1;;+2/p-1
InChIKey WDIZKJRMIIJABI-UHFFFAOYSA-M
Mol Weight 593.8 g/mol
Molecular Formula C29H31F5N2Zr
Exact Mass 592.145439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xwO6NW6zLW
Name RAC-(EBTHI)-ZR-F-(C9H9N2F4)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31F5N2Zr
InChI InChI=1S/C20H22.C9H9F4N2.FH.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(2,3)15-8-6(12)4(10)5(11)7(13)14-8;;/h9-10H,1-8,13-14H2;1-3H3;1H;/q;-1;;+2/p-1
InChIKey WDIZKJRMIIJABI-UHFFFAOYSA-M
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 593.791 g/mol
Sample ID 27856
Solvent HET