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

View entire compound with spectra: 1 MS (GC)

[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
Mol Weight 761.4 g/mol
Molecular Formula C26H40Tl2
Exact Mass 762.261855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5az4pK3WCuY
Name [1,1',3,3'-tetra(t-butyl)-5,5'-pentafulvalene] dithallium
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
Synonyms {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
Wiley ID 1416542