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1-MERCAPTO-2,5-DIFLUOROBENZENE-3,4,6-TRISULPHONATE

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1-MERCAPTO-2,5-DIFLUOROBENZENE-3,4,6-TRISULPHONATE
SpectraBase Compound ID KLAJ258zlx0
InChI InChI=1S/C6H4F2O9S4/c7-1-3(18)4(19(9,10)11)2(8)6(21(15,16)17)5(1)20(12,13)14/h18H,(H,9,10,11)(H,12,13,14)(H,15,16,17)
InChIKey AACPWKUONHFRBN-UHFFFAOYSA-N
Mol Weight 386.3 g/mol
Molecular Formula C6H4F2O9S4
Exact Mass 385.870623 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DswcEAFVfWM
Name 1-MERCAPTO-2,5-DIFLUOROBENZENE-3,4,6-TRISULPHONATE
Comments C=0.5M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H4F2O9S4
InChI InChI=1S/C6H4F2O9S4/c7-1-3(18)4(19(9,10)11)2(8)6(21(15,16)17)5(1)20(12,13)14/h18H,(H,9,10,11)(H,12,13,14)(H,15,16,17)
InChIKey AACPWKUONHFRBN-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference P.SARTORI, G.BAUER (1979) J.Fluor.Chem.: v.14, N3, 201-221.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O deuterium oxide