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1-HYDROXY-3-(3-METHYLPHENETHYLAMINO)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID

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1-HYDROXY-3-(3-METHYLPHENETHYLAMINO)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID G04uZa45nR2
InChI InChI=1S/C12H21NO7P2/c1-13(9-7-11-5-3-2-4-6-11)10-8-12(14,21(15,16)17)22(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
InChIKey GSOPCSRILKZIPB-UHFFFAOYSA-N
Mol Weight 353.25 g/mol
Molecular Formula C12H21NO7P2
Exact Mass 353.079326 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKLE7oFBBp2
Name 1-HYDROXY-3-(3-METHYLPHENETHYLAMINO)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO7P2
InChI InChI=1S/C12H21NO7P2/c1-13(9-7-11-5-3-2-4-6-11)10-8-12(14,21(15,16)17)22(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
InChIKey GSOPCSRILKZIPB-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 UWLU53025