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PHENYLTHALLIUMBISTRIFLUORACETAT
SpectraBase Compound ID 7hSwePpT7EB
InChI InChI=1S/C6H5.2C2HF3O2.Tl/c1-2-4-6-5-3-1;2*3-2(4,5)1(6)7;/h1-5H;2*(H,6,7);/q;;;+2/p-2
InChIKey BHNSTHDCODXOQD-UHFFFAOYSA-L
Mol Weight 507.52 g/mol
Molecular Formula C10H5F6O4Tl
Exact Mass 507.98363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Y3k0pjpxzc
Name Phenyl-thallium(iii) bis-trifluoroacetate
CAS Registry Number 23586-54-1
Comments J(C1,205-TL)=10718 HZ, J(C1,203-TL)=10623 HZ, J(C3,TL)=1047 HZ C1 LISTED FOR MAJOR ISOTOPOMER 205-TL (153.30 PPM FOR 203-TL)
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Formula C10H5F6O4Tl
InChI InChI=1S/C6H5.2C2HF3O2.Tl/c1-2-4-6-5-3-1;2*3-2(4,5)1(6)7;/h1-5H;2*(H,6,7);/q;;;+2/p-2
InChIKey BHNSTHDCODXOQD-UHFFFAOYSA-L
Instrument Name Bruker WH-90
Literature Reference J.Y. Lallemand, M. Duteil, Org. Magn. Resonance 8, 328 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6