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[3-(DIMETHYLAMINO)-PROPYLIDENE]-1,1-BISPHOSPHONIC-ACID-HYDROBROMIDE
SpectraBase Compound ID 2VPkGke343L
InChI InChI=1S/C5H15NO6P2.BrH/c1-6(2)4-3-5(13(7,8)9)14(10,11)12;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);1H
InChIKey LTILGYXHYBFKML-UHFFFAOYSA-N
Mol Weight 328.04 g/mol
Molecular Formula C5H16BrNO6P2
Exact Mass 326.963624 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIXqnufWMkJ
Name [3-(DIMETHYLAMINO)-PROPYLIDENE]-1,1-BISPHOSPHONIC-ACID-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H12BrNO6P2
InChI InChI=1S/C5H15NO6P2.BrH/c1-6(2)4-3-5(13(7,8)9)14(10,11)12;/h5H,3-4H2,1-2H3,(H2,7,8,9)(H2,10,11,12);1H
InChIKey LTILGYXHYBFKML-UHFFFAOYSA-N
Literature Reference Author L.WIDLER,K.A.JAEGGI,M.GLATT,K.MUELLER,R.BACHMANN,M.BISPING,A .R.BORN,R.CORTESI,G.
Literature Reference Citation J.MED.CHEM.,45,3721(2002)
Literature Reference DOI 10.1021/jm020819i
Solvent NAOD:D2O=1:20
Source File Reference UWLU53067