Organofluorine / Alfa Chemistry
5-fluoro-2,8,11-trimethyl-5,6,11,12-tetrahydro-5,11-ethanodibenzo[b,f][1,5]diazocine-5,11-diium trifluoromethanesulfonate

5-fluoro-2,8,11-trimethyl-5,6,11,12-tetrahydro-5,11-ethanodibenzo[b,f][1,5]diazocine-5,11-diium trifluoromethanesulfonate

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5-fluoro-2,8,11-trimethyl-5,6,11,12-tetrahydro-5,11-ethanodibenzo[b,f][1,5]diazocine-5,11-diium trifluoromethanesulfonate
Catalog OFC1854931068
CAS 1854931-06-8
Category Trifluoromethylthiolation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C19H23FN2.2CHF3O3S/c1-14-4-6-18-17(11-14)13-22(20)9-8-21(18,3)12-16-10-15(2)5-7-19(16)22;2*2-1(3,4)8(5,6)7/h4-7,10-11H,8-9,12-13H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2
InChI Key MGEFSJCUOZEOSR-UHFFFAOYSA-L
Canonical SMILES Cc1ccc2c(c1)C[N+]1(F)CC[N+]2(C)Cc2cc(C)ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
Molecular Formula C21H23F7N2O6S2
Molecular Weight 596.543
Exact Mass 596.0886

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