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DI-(ISOPROPOXY)-[1,5-DITHIAPENTANEDIYL-2,2'-BIS-(4,6-DITERT.-BUTYLPHENOL)]-TITANIUM
SpectraBase Compound ID 1T6pBzJCrYr
InChI InChI=1S/C31H48O2S2.2C3H7O.Ti/c1-28(2,3)20-16-22(30(7,8)9)26(32)24(18-20)34-14-13-15-35-25-19-21(29(4,5)6)17-23(27(25)33)31(10,11)12;2*1-3(2)4;/h16-19,32-33H,13-15H2,1-12H3;2*3H,1-2H3;/q;2*-1;+4/p-2
InChIKey MAVVHLFDLUGWEA-UHFFFAOYSA-L
Mol Weight 680.9 g/mol
Molecular Formula C37H60O4S2Ti
Exact Mass 680.341244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaLsOponxJf
Name DI-(ISOPROPOXY)-[1,5-DITHIAPENTANEDIYL-2,2'-BIS-(4,6-DITERT.-BUTYLPHENOL)]-TITANIUM
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H60O4S2Ti
InChI InChI=1S/C31H48O2S2.2C3H7O.Ti/c1-28(2,3)20-16-22(30(7,8)9)26(32)24(18-20)34-14-13-15-35-25-19-21(29(4,5)6)17-23(27(25)33)31(10,11)12;2*1-3(2)4;/h16-19,32-33H,13-15H2,1-12H3;2*3H,1-2H3;/q;2*-1;+4/p-2
InChIKey MAVVHLFDLUGWEA-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 680.881 g/mol
Sample ID 40927
Solvent CD2Cl2