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1-HYDROXY-2-(2-METHYLIMIDAZOL-4-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 5vUb6msml7J
InChI InChI=1S/C6H12N2O7P2/c1-4-7-3-5(8-4)2-6(9,16(10,11)12)17(13,14)15/h3,9H,2H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15)
InChIKey XFBCUXWORQIWFC-UHFFFAOYSA-N
Mol Weight 286.12 g/mol
Molecular Formula C6H12N2O7P2
Exact Mass 286.011975 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4g0p3shTW4
Name 1-HYDROXY-2-(2-METHYLIMIDAZOL-4-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8N2O7P2
InChI InChI=1S/C6H12N2O7P2/c1-4-7-3-5(8-4)2-6(9,16(10,11)12)17(13,14)15/h3,9H,2H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15)
InChIKey XFBCUXWORQIWFC-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 UWLU53057