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1-HYDROXY-2-(1-BENZYLIMIDAZOL-2-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 679Yz2dpZd6
InChI InChI=1S/C12H16N2O7P2/c15-12(22(16,17)18,23(19,20)21)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H2,16,17,18)(H2,19,20,21)
InChIKey VVTWQGRTVMQHIS-UHFFFAOYSA-N
Mol Weight 362.21 g/mol
Molecular Formula C12H16N2O7P2
Exact Mass 362.043275 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JanoXaOaMue
Name 1-HYDROXY-2-(1-BENZYLIMIDAZOL-2-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O7P2
InChI InChI=1S/C12H16N2O7P2/c15-12(22(16,17)18,23(19,20)21)8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H2,16,17,18)(H2,19,20,21)
InChIKey VVTWQGRTVMQHIS-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 UWLU53054