[1,1',3,3'-tetra(t-butyl)-5,5'-pentafulvalene] dithallium

SpectraBase Compound ID	HTeUgg8r4dr
InChI	InChI=1S/C26H40.2Tl/c1-23(2,3)17-13-19(21(15-17)25(7,8)9)20-14-18(24(4,5)6)16-22(20)26(10,11)12;;/h13-16H,1-12H3;;
InChIKey	JKXDWUUXOLZVCE-UHFFFAOYSA-N Google Search
Mol Weight	761.4 g/mol
Molecular Formula	C26H40Tl2
Exact Mass	762.261855 g/mol

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SpectraBase Spectrum ID	5az4pK3WCuY
Name	[1,1',3,3'-tetra(t-butyl)-5,5'-pentafulvalene] dithallium
Alternate Name(s)	{2,4-di-tert-butyl-1-[2,4-di-tert-butyl-1-(-thallanyl)cyclopenta-2,4-dien-1-yl]cyclopenta-2,4-dien-1-yl}-thallane
CAS Registry Number	133322-99-3
Comments	Note: The molecular formula of the structure shown is C26H44Tl2 - which differs from the formula reported for the mass spectrum (C26H40Tl2)
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Formula	C26H40Tl2
InChI	InChI=1S/C26H40.2Tl/c1-23(2,3)17-13-19(21(15-17)25(7,8)9)20-14-18(24(4,5)6)16-22(20)26(10,11)12;;/h13-16H,1-12H3;;
InChIKey	JKXDWUUXOLZVCE-UHFFFAOYSA-N
Molecular Weight	761.366 g/mol
SMILES	C1(C2(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[Tl])(C(=CC(=C1)C(C)(C)C)C(C)(C)C)[Tl]
SPLASH	splash10-0a4i-2090000000-97787d2e68d768735dd6
Source of Spectrum	K-124-1697-2
Wiley ID	1416542