The chemical shifts of 1H-NMR of five Fe3S3 cluster compounds were assigned. The main chemical shift values are: δ CH3=1.095-1.946, δ CH2=2.882-3\^803, δ C6Hn=7.547-7.172. In comparison with those of pure （CH3CH2）3N and thiophenol, these values are moved to high position, and the width of these peaks is obviously increased. These characteristics conformed to NMR spectra of paramagnetic compounds and their molecular structures. The paramagnetic property of these compounds was also studied with ESR spectrum. Mass spectra of three compounds were determined. The main fragments were observed, for example, m/z: 130〔（C2H5）4N〕+, 264〔Fe3S3〕+, 144〔Fe-S-Fe〕+, 120〔S-Fe-S〕+, 88〔Fe-S〕+, 136〔FeBr〕+, 91〔FeCl〕+ etc. These supported structural characteristics of the anion skeleton and molecules strongly. The possible mechanism of fragmentation was discussed.
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