John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10yiIER0l5I SpectraBase Spectrum ID=D8DijgQbcVh

(accessed ).
RAC-(EBTHI)-ZR-(NHCME3)-(NEOHEXYL)
SpectraBase Compound ID 10yiIER0l5I
InChI InChI=1S/C20H22.C6H13.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;1-5-6(2,3)4;1-4(2,3)5;/h9-10H,1-8,13-14H2;1,5H2,2-4H3;5H,1-3H3;/q;;-1;+1
InChIKey ZWZTYZAZDHTJCQ-UHFFFAOYSA-N
Mol Weight 510.9 g/mol
Molecular Formula C30H45NZr
Exact Mass 509.259909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8DijgQbcVh
Name RAC-(EBTHI)-ZR-(NHCME3)-(NEOHEXYL)
Compound Number 1J
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H45NZr
InChI InChI=1S/C20H22.C6H13.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;1-5-6(2,3)4;1-4(2,3)5;/h9-10H,1-8,13-14H2;1,5H2,2-4H3;5H,1-3H3;/q;;-1;+1
InChIKey ZWZTYZAZDHTJCQ-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 510.914 g/mol
Sample ID 27850
Solvent Unknown
SpectraBase Batch ID 5U4YwghPeiQ