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DICYCLOHEXYLAMMONIUM-(2-OXO-5-DIETHYLPHOSPHONO)-PHOSPHONATE

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DICYCLOHEXYLAMMONIUM-(2-OXO-5-DIETHYLPHOSPHONO)-PHOSPHONATE
SpectraBase Compound ID 2mr8wueGUV7
InChI InChI=1S/C9H20O7P2.2C6H13N/c1-3-15-18(14,16-4-2)7-5-6-9(10)8-17(11,12)13;2*7-6-4-2-1-3-5-6/h3-8H2,1-2H3,(H2,11,12,13);2*6H,1-5,7H2
InChIKey MXNXIKMSJCGSEW-UHFFFAOYSA-N
Mol Weight 500.55 g/mol
Molecular Formula C21H46N2O7P2
Exact Mass 500.278026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DVlaZBzWs2
Name DICYCLOHEXYLAMMONIUM-(2-OXO-5-DIETHYLPHOSPHONO)-PHOSPHONATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H46N2O7P2
InChI InChI=1S/C9H20O7P2.2C6H13N/c1-3-15-18(14,16-4-2)7-5-6-9(10)8-17(11,12)13;2*7-6-4-2-1-3-5-6/h3-8H2,1-2H3,(H2,11,12,13);2*6H,1-5,7H2
InChIKey MXNXIKMSJCGSEW-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 500.553 g/mol
Solvent CD3OD
Source File Reference UWLU21903