Organofluorine / Alfa Chemistry
(2S,3S)-1-fluoro-4-methyl-2,3-di-o-tolyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)

(2S,3S)-1-fluoro-4-methyl-2,3-di-o-tolyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)

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(2S,3S)-1-fluoro-4-methyl-2,3-di-o-tolyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(triflate)
Catalog OFC1499076617
CAS 1499076-61-7
Category Other Fluorinated Group Introducing Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C21H27FN2.2CHF3O3S/c1-16-8-4-6-10-18(16)20-21(19-11-7-5-9-17(19)2)24(22)14-12-23(20,3)13-15-24;2*2-1(3,4)8(5,6)7/h4-11,20-21H,12-15H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2/t20-,21-,23?,24?;;/m0../s1
InChI Key QNIFQGWBVFDTFM-XZHLTAHESA-L
Canonical SMILES Cc1ccccc1[C@H]1[C@H](c2ccccc2C)[N+]2(F)CC[N+]1(C)CC2.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C23H27F7N2O6S2
Molecular Weight 624.597
Exact Mass 624.1199

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