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Tetramethoxybis{2,2'-dithiobis(6-tert-butyl-4-methylphenolato)}-dititanium
SpectraBase Compound ID 4jKcsdVi2K2
InChI InChI=1S/2C22H30O2S2.4CH3O.2Ti/c2*1-13-9-15(21(3,4)5)19(23)17(11-13)25-26-18-12-14(2)10-16(20(18)24)22(6,7)8;4*1-2;;/h2*9-12,23-24H,1-8H3;4*1H3;;/q;;4*-1;2*+4/p-4
InChIKey KNJQOMVIRFUQLY-UHFFFAOYSA-J
Mol Weight 997.038 g/mol
Molecular Formula C48H68O8S4Ti2
Exact Mass 996.275586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtEhE4fVpop
Name Tetramethoxybis{2,2'-dithiobis(6-tert-butyl-4-methylphenolato)}-dititanium
Alternate Name(s) Titanium(IV) bis(6,6'-disulfanediylbis(2-(tert-butyl)-4-methylphenolate)) tetramethanolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H68O8S4Ti2
InChI InChI=1S/2C22H30O2S2.4CH3O.2Ti/c2*1-13-9-15(21(3,4)5)19(23)17(11-13)25-26-18-12-14(2)10-16(20(18)24)22(6,7)8;4*1-2;;/h2*9-12,23-24H,1-8H3;4*1H3;;/q;;4*-1;2*+4/p-4
InChIKey KNJQOMVIRFUQLY-UHFFFAOYSA-J
Molecular Weight 997.038 g/mol
SMILES c1(SSc2c(c(cc(c2)C)C(C)(C)C)[O-])cc(cc(c1[O-])C(C)(C)C)C.C[O-].C[O-].C[O-].C[O-].c1(SSc2c(c(cc(c2)C)C(C)(C)C)[O-])cc(cc(c1[O-])C(C)(C)C)C.[Ti+4].[Ti+4]
SPLASH splash10-01ox-5903000000-756637ba7dd584b54233
Source of Spectrum U2-2000-1325-5
Wiley ID 1790867