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(DMSC)-TI-[OC(PARA-MEC6H4)2C4-TERT.-BUTYL(SIME3)H2]
SpectraBase Compound ID DtheagzHVEV
InChI InChI=1S/C46H60O4Si.C26H34OSi.Ti/c1-43(2,3)35-19-27-15-28-20-36(44(4,5)6)22-30(40(28)48)17-32-24-38(46(10,11)12)26-34-18-33-25-37(45(7,8)9)23-31(16-29(21-35)39(27)47)41(33)49-51(13,14)50-42(32)34;1-20-9-13-22(14-10-20)26(27,23-15-11-21(2)12-16-23)19-24(25(3,4)5)17-18-28(6,7)8;/h19-26,47-48H,15-18H2,1-14H3;9-17,19H,1-8H3;/q;-1;+3/p-2/b;18-17?,24-19+;
InChIKey JRFHMWJOGNXTKH-ADKLRGKDSA-L
Mol Weight 1141.6 g/mol
Molecular Formula C72H92O5Si2Ti
Exact Mass 1140.59627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APBVAISUhLM
Name (DMSC)-TI-[OC(PARA-MEC6H4)2C4-TERT.-BUTYL(SIME3)H2]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H92O5Si2Ti
InChI InChI=1S/C46H60O4Si.C26H34OSi.Ti/c1-43(2,3)35-19-27-15-28-20-36(44(4,5)6)22-30(40(28)48)17-32-24-38(46(10,11)12)26-34-18-33-25-37(45(7,8)9)23-31(16-29(21-35)39(27)47)41(33)49-51(13,14)50-42(32)34;1-20-9-13-22(14-10-20)26(27,23-15-11-21(2)12-16-23)19-24(25(3,4)5)17-18-28(6,7)8;/h19-26,47-48H,15-18H2,1-14H3;9-17,19H,1-8H3;/q;-1;+3/p-2/b;18-17?,24-19+;
InChIKey JRFHMWJOGNXTKH-ADKLRGKDSA-L
Literature Reference Author J.V.KINGSTON,O.V.OZEROV,S.PARKIN,C.P.BROCK,F.T.LADIPO
Literature Reference Citation J.AM.CHEM.SOC.,124,12217(2002)
Literature Reference DOI 10.1021/ja0271577
Molecular Weight 1141.570 g/mol
Sample ID 47621
Solvent C6D6