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1-HYDROXY-2-(4,5-DIMETHYLIMIDAZOL-1-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 8dHWqe5QyX9
InChI InChI=1S/C7H14N2O7P2/c1-5-6(2)9(4-8-5)3-7(10,17(11,12)13)18(14,15)16/h4,10H,3H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
InChIKey KWNLTXMGFAGRNR-UHFFFAOYSA-N
Mol Weight 300.14 g/mol
Molecular Formula C7H14N2O7P2
Exact Mass 300.027625 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJk62TzGVk4
Name 1-HYDROXY-2-(4,5-DIMETHYLIMIDAZOL-1-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 6L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10N2O7P2
InChI InChI=1S/C7H14N2O7P2/c1-5-6(2)9(4-8-5)3-7(10,17(11,12)13)18(14,15)16/h4,10H,3H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
InChIKey KWNLTXMGFAGRNR-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 UWLU53063