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1-HYDROXY-1-(AZETIDIN-3-YL)-METHYLIDENEBISPHOSPHONIC-ACID
SpectraBase Compound ID CpcBYL6EHuy
InChI InChI=1S/C4H11NO7P2/c6-4(13(7,8)9,14(10,11)12)3-1-5-2-3/h3,5-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)
InChIKey CFGQVIHMXXHDIE-UHFFFAOYSA-N
Mol Weight 247.08 g/mol
Molecular Formula C4H11NO7P2
Exact Mass 247.001076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElpZ54OquzE
Name 1-HYDROXY-1-(AZETIDIN-3-YL)-METHYLIDENEBISPHOSPHONIC-ACID
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H7NO7P2
InChI InChI=1S/C4H11NO7P2/c6-4(13(7,8)9,14(10,11)12)3-1-5-2-3/h3,5-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)
InChIKey CFGQVIHMXXHDIE-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
Molecular Weight 243.050 g/mol
Sample ID 53023
Solvent NAOD:D2O=1:20