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3,7-DIHYDROXY-2,4,5,6,8-PENTAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3,7-DIYLIUM)-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID Cp4vMAQ8rd7
InChI InChI=1S/C9H20N4O2.2CHF3O3S/c1-9-6(10(2)7(14)12(9)4)11(3)8(15)13(9)5;2*2-1(3,4)8(5,6)7/h6-8,14-15H,1-5H3;2*(H,5,6,7)/p-2
InChIKey GMEQOJMSRZSSCU-UHFFFAOYSA-L
Mol Weight 514.41 g/mol
Molecular Formula C11H20F6N4O8S2
Exact Mass 514.062675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2f59RS8tUh
Name 3,7-DIHYDROXY-2,4,5,6,8-PENTAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3,7-DIYLIUM)-BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H20F6N4O8S2
InChI InChI=1S/C9H20N4O2.2CHF3O3S/c1-9-6(10(2)7(14)12(9)4)11(3)8(15)13(9)5;2*2-1(3,4)8(5,6)7/h6-8,14-15H,1-5H3;2*(H,5,6,7)/p-2
InChIKey GMEQOJMSRZSSCU-UHFFFAOYSA-L
Literature Reference Author G.MAAS,R.BRUECKMANN,B.FEITH
Literature Reference Citation J.HETCYCL.CHEM.,22,907(1985)
Literature Reference DOI 10.1002/jhet.5570220358
Molecular Weight 514.412 g/mol
Solvent CD3CN
Source File Reference UWCS11083