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HEXAHYDRO-6-OXO-1,1,4,4-TETRAMETHYL-1H-1,4-DIAZEPINIUM-BIS-(TRIFLUOROMETHANESULFONATE)

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HEXAHYDRO-6-OXO-1,1,4,4-TETRAMETHYL-1H-1,4-DIAZEPINIUM-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID 2dZXEMZWDqk
InChI InChI=1S/C9H22N2O2.2CHF3O3S/c1-10(2)5-6-11(3,4)8-9(12,13)7-10;2*2-1(3,4)8(5,6)7/h12-13H,5-8H2,1-4H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey ZZOPENCRBGWKIF-UHFFFAOYSA-L
Mol Weight 488.41 g/mol
Molecular Formula C11H22F6N2O8S2
Exact Mass 488.072177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YUXU9gpv9m
Name HEXAHYDRO-6-OXO-1,1,4,4-TETRAMETHYL-1H-1,4-DIAZEPINIUM-BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H22F6N2O8S2
InChI InChI=1S/C9H22N2O2.2CHF3O3S/c1-10(2)5-6-11(3,4)8-9(12,13)7-10;2*2-1(3,4)8(5,6)7/h12-13H,5-8H2,1-4H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey ZZOPENCRBGWKIF-UHFFFAOYSA-L
Literature Reference Author S.E.DENMARK,Z.WU
Literature Reference Citation J.ORG.CHEM.,63,2810(1998)
Literature Reference DOI 10.1021/jo980342b
Molecular Weight 488.415 g/mol
Sample ID 37071
Solvent ACETONE-D6