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[(Triphenylphosphanyl)-(N-methylisothiazoline)-gold]-[(trifluoromethyl)sulfonyloxy]
SpectraBase Compound ID B78Qm84sBRd
InChI InChI=1S/C18H15P.C4H6NS.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-3-2-4-6-5;2-1(3,4)8(5,6)7;/h1-15H;2-4H,1H3;(H,5,6,7);/q;;;+1
InChIKey IZHFAKFLYRFQOB-UHFFFAOYSA-N
Mol Weight 709.49 g/mol
Molecular Formula C23H22AuF3NO3PS2
Exact Mass 709.039652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70r96uS7I3U
Name [(Triphenylphosphanyl)-(N-methylisothiazoline)-gold]-[(trifluoromethyl)sulfonyloxy]
Comments Note: The molecular formula of the structure shown is C23H22AuF3NO3PS2 - which differs from the formula reported for the mass spectrum (C23H20AuF3NO3P3S2)
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Formula C23H20AuF3NO3P3S2
InChI InChI=1S/C18H15P.C4H6NS.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-3-2-4-6-5;2-1(3,4)8(5,6)7;/h1-15H;2-4H,1H3;(H,5,6,7);/q;;;+1
InChIKey IZHFAKFLYRFQOB-UHFFFAOYSA-N
Molecular Weight 709.489 g/mol
SMILES C1([Au][P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CN(S1)C.OS(C(F)(F)F)(=O)=O
SPLASH splash10-08fr-2490000000-a2de2daedc8222cfb637
Source of Spectrum KA-0-2067-0
Wiley ID 1416699