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zinc(II) 2,4,6-tris(trifluoromethyl)benzenethiolate

View entire compound with spectra: 1 MS (GC)

zinc(II) 2,4,6-tris(trifluoromethyl)benzenethiolate
SpectraBase Compound ID LnC9YlWDh6P
InChI InChI=1S/2C9H3F9S.Zn/c2*10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18;/h2*1-2,19H;/q;;+2/p-2
InChIKey PVFQMVJEXCJJAZ-UHFFFAOYSA-L
Mol Weight 691.7 g/mol
Molecular Formula C18H4F18S2Zn
Exact Mass 689.875841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1li8owPjIv9
Name zinc(II) 2,4,6-tris(trifluoromethyl)benzenethiolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H4F18S2Zn
InChI InChI=1S/2C9H3F9S.Zn/c2*10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18;/h2*1-2,19H;/q;;+2/p-2
InChIKey PVFQMVJEXCJJAZ-UHFFFAOYSA-L
Literature Reference DOI 10.1002/zaac.19926100127
Molecular Weight 691.703 g/mol
SMILES c1([S-])c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F.[Zn+2].c1([S-])c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
SPLASH splash10-004l-0090000000-5f2bb838c31ff0c56eae
Source of Spectrum DZ-610-165-1
Wiley ID 1800648