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DI-(ISOPROPOXY)-[1,4-DITHIABUTANEDIYL-2,2'-BIS-(4,6-DI-TERT.-BUTYLPHENOXY)]-TITANIUM
SpectraBase Compound ID H95U6gh5Ou2
InChI InChI=1S/C30H46O2S2.2C3H7O.Ti/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*1-3(2)4;/h15-18,31-32H,13-14H2,1-12H3;2*3H,1-2H3;/q;2*-1;+4/p-2
InChIKey AQDAIMNXZWQAKQ-UHFFFAOYSA-L
Mol Weight 666.8 g/mol
Molecular Formula C36H58O4S2Ti
Exact Mass 666.325594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pySrHELS1I
Name DI-(ISOPROPOXY)-[1,4-DITHIABUTANEDIYL-2,2'-BIS-(4,6-DI-TERT.-BUTYLPHENOXY)]-TITANIUM
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H58O4S2Ti
InChI InChI=1S/C30H46O2S2.2C3H7O.Ti/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*1-3(2)4;/h15-18,31-32H,13-14H2,1-12H3;2*3H,1-2H3;/q;2*-1;+4/p-2
InChIKey AQDAIMNXZWQAKQ-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 666.854 g/mol
Sample ID 40926
Solvent C6D6