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3,7-DIHYDROXY-2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3,7-DIYLIUM)-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID 1YNxVAvXmYg
InChI InChI=1S/C8H18N4O2.2CHF3O3S/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2;2*2-1(3,4)8(5,6)7/h5-8,13-14H,1-4H3;2*(H,5,6,7)/p-2
InChIKey RGBSYVPUQUXKPN-UHFFFAOYSA-L
Mol Weight 500.38 g/mol
Molecular Formula C10H18F6N4O8S2
Exact Mass 500.047025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JD53W0DUd6H
Name 3,7-DIHYDROXY-2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAAZABICYCLO-[3.3.0]-OCTANE-3,7-DIYLIUM)-BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H18F6N4O8S2
InChI InChI=1S/C8H18N4O2.2CHF3O3S/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2;2*2-1(3,4)8(5,6)7/h5-8,13-14H,1-4H3;2*(H,5,6,7)/p-2
InChIKey RGBSYVPUQUXKPN-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 500.385 g/mol
Solvent CD3CN
Source File Reference UWCS11082