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BIS-(7-OXO-2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3-YLIUM)-ETHER-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID HDZlaBGThKA
InChI InChI=1S/C16H30N8O3.2CHF3O3S/c1-17-9-10(18(2)13(17)25)22(6)15(21(9)5)27-16-23(7)11-12(24(16)8)20(4)14(26)19(11)3;2*2-1(3,4)8(5,6)7/h9-12,15-16H,1-8H3;2*(H,5,6,7)/p-2
InChIKey YFKREFDESRKJBE-UHFFFAOYSA-L
Mol Weight 680.6 g/mol
Molecular Formula C18H30F6N8O9S2
Exact Mass 680.148136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83Y2qwNIXbH
Name BIS-(7-OXO-2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3-YLIUM)-ETHER-BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30F6N8O9S2
InChI InChI=1S/C16H30N8O3.2CHF3O3S/c1-17-9-10(18(2)13(17)25)22(6)15(21(9)5)27-16-23(7)11-12(24(16)8)20(4)14(26)19(11)3;2*2-1(3,4)8(5,6)7/h9-12,15-16H,1-8H3;2*(H,5,6,7)/p-2
InChIKey YFKREFDESRKJBE-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 680.595 g/mol
Solvent CD3CN
Source File Reference UWCS11080