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DIBENZYL-[1,4-DITHIABUTANEDIYL-2,2'-BIS-(4,6-DI-TERT.-BUTYLPHENOXY)]-ZIRCONIUM
SpectraBase Compound ID 4vI7A6JaLBs
InChI InChI=1S/C30H46O2S2.2C7H7.Zr/c1-27(2,3)19-15-21(29(7,8)9)25(31)23(17-19)33-13-14-34-24-18-20(28(4,5)6)16-22(26(24)32)30(10,11)12;2*1-7-5-3-2-4-6-7;/h15-18,31-32H,13-14H2,1-12H3;2*2-6H,1H2;/q;;;+2/p-2
InChIKey APGVRXDQIHAHRL-UHFFFAOYSA-L
Mol Weight 774.3 g/mol
Molecular Formula C44H58O2S2Zr
Exact Mass 772.292522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOodS5OgFep
Name DIBENZYL-[1,4-DITHIABUTANEDIYL-2,2'-BIS-(4,6-DI-TERT.-BUTYLPHENOXY)]-ZIRCONIUM
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58O2S2Zr
InChI InChI=1S/C30H46O2S2.2C7H7.Zr/c1-27(2,3)19-15-21(29(7,8)9)25(31)23(17-19)33-13-14-34-24-18-20(28(4,5)6)16-22(26(24)32)30(10,11)12;2*1-7-5-3-2-4-6-7;/h15-18,31-32H,13-14H2,1-12H3;2*2-6H,1H2;/q;;;+2/p-2
InChIKey APGVRXDQIHAHRL-UHFFFAOYSA-L
Literature Reference Author C.CAPACCHIONE,A.PROTO,H.EBELING,R.MUEHAUPT,K.MOELLER,T.P.SPA NIOL,J.OKUDA
Literature Reference Citation J.AM.CHEM.SOC.,125,4964(2003)
Literature Reference DOI 10.1021/ja029968g
Molecular Weight 774.283 g/mol
Sample ID 40928
Solvent C6D6