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Methyltriphenylphosphonium trifluoromethanesulphonate

View entire compound with spectra: 2 NMR

Methyltriphenylphosphonium trifluoromethanesulphonate
SpectraBase Compound ID 8TOY782wrzJ
InChI InChI=1S/C19H18P.CHF3O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey BIWVKRPSNPGAJI-UHFFFAOYSA-M
Mol Weight 426.39 g/mol
Molecular Formula C20H18F3O3PS
Exact Mass 426.066637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9R0xLKio3ww
Name Methyltriphenylphosphonium trifluoromethanesulphonate
Comments Computed using HOSE algorithm
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Exact Mass 426.066637098 u
Formula C20H18F3O3PS
InChI InChI=1S/C19H18P.CHF3O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey BIWVKRPSNPGAJI-UHFFFAOYSA-M
Molecular Weight 426.390 g/mol
SMILES C(S(=O)(=O)[O-])(F)(F)F.c1cc(ccc1)[P+](C)(c1ccccc1)c1ccccc1