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4-[4'-Trifluoromethylsulfonyl)phenyl]-3H-1,2-dithiole-3-thione
SpectraBase Compound ID 2Gg5ZsvcEYJ
InChI InChI=1S/C10H5F3O2S4/c11-10(12,13)19(14,15)7-3-1-6(2-4-7)8-5-17-18-9(8)16/h1-5H
InChIKey AXLKWQWLMXJMHF-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C10H5F3O2S4
Exact Mass 341.912449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1O1c2JDyQUS
Name 4-[4'-Trifluoromethylsulfonyl)phenyl]-3H-1,2-dithiole-3-thione
Comments Note: The molecular formula of the structure shown is C10H5F3O2S4 - which differs from the formula reported for the mass spectrum (C10H5F3O3S4)
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Formula C10H5F3O3S4
InChI InChI=1S/C10H5F3O2S4/c11-10(12,13)19(14,15)7-3-1-6(2-4-7)8-5-17-18-9(8)16/h1-5H
InChIKey AXLKWQWLMXJMHF-UHFFFAOYSA-N
Molecular Weight 342.383 g/mol
SMILES C(S(c1ccc(C=2C(SSC2)=S)cc1)(=O)=O)(F)(F)F
SPLASH splash10-0aos-7239000000-ce7a303bcb09caa17cb9
Source of Spectrum AC-132-630-8
Wiley ID 811905