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DICYCLOHEXYLAMMONIUM-(4-DICYCLOHEXYLAMMONIUMPHOSPHONO-3-OXO)-PHOSPHATE

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DICYCLOHEXYLAMMONIUM-(4-DICYCLOHEXYLAMMONIUMPHOSPHONO-3-OXO)-PHOSPHATE
SpectraBase Compound ID AZqUmpxRBBD
InChI InChI=1S/4C6H13N.C4H10O8P2/c4*7-6-4-2-1-3-5-6;5-4(3-13(6,7)8)1-2-12-14(9,10)11/h4*6H,1-5,7H2;1-3H2,(H2,6,7,8)(H2,9,10,11)
InChIKey PVUJAGXXWMIZJL-UHFFFAOYSA-N
Mol Weight 644.77 g/mol
Molecular Formula C28H62N4O8P2
Exact Mass 644.404289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ou9WfgCLrT
Name DICYCLOHEXYLAMMONIUM-(4-DICYCLOHEXYLAMMONIUMPHOSPHONO-3-OXO)-PHOSPHATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H62N4O8P2
InChI InChI=1S/4C6H13N.C4H10O8P2/c4*7-6-4-2-1-3-5-6;5-4(3-13(6,7)8)1-2-12-14(9,10)11/h4*6H,1-5,7H2;1-3H2,(H2,6,7,8)(H2,9,10,11)
InChIKey PVUJAGXXWMIZJL-UHFFFAOYSA-N
Literature Reference Author S.LADAME,M.BARDET,J.PERIE,M.WILLSON
Literature Reference Citation BIOORG.MED.CHEM.,9,773(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00295-9
Molecular Weight 644.770 g/mol
Solvent D2O
Source File Reference UWLU21888