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Tetraphenylarsonium-S-trifluoromethyldisulfansulfonate

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Tetraphenylarsonium-S-trifluoromethyldisulfansulfonate
SpectraBase Compound ID AklHJbAJW29
InChI InChI=1S/C24H20As.CHF3O3S3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)8-9-10(5,6)7/h1-20H;(H,5,6,7)/q+1;/p-1
InChIKey DMBONSHOWVTDBU-UHFFFAOYSA-M
Mol Weight 596.53 g/mol
Molecular Formula C25H20AsF3O3S3
Exact Mass 595.974263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUuKjDMwZBV
Name Tetraphenylarsonium-S-trifluoromethyldisulfansulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.974262512 u
Formula C25H20AsF3O3S3
InChI InChI=1S/C24H20As.CHF3O3S3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)8-9-10(5,6)7/h1-20H;(H,5,6,7)/q+1;/p-1
InChIKey DMBONSHOWVTDBU-UHFFFAOYSA-M
Molecular Weight 596.529 g/mol
SMILES C1([As+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1.C(F)(F)(F)SSS(=O)(=O)[O-]