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1-HYDROXY-3-PHENETHYL-AMINOPROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID E5C2CvEDKKX
InChI InChI=1S/C11H19NO7P2/c13-11(20(14,15)16,21(17,18)19)7-9-12-8-6-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey QQJDSVWRQXAWEY-UHFFFAOYSA-N
Mol Weight 339.22 g/mol
Molecular Formula C11H19NO7P2
Exact Mass 339.063676 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPfFeA2qt04
Name 1-HYDROXY-3-PHENETHYL-AMINOPROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15NO7P2
InChI InChI=1S/C11H19NO7P2/c13-11(20(14,15)16,21(17,18)19)7-9-12-8-6-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2,(H2,14,15,16)(H2,17,18,19)
InChIKey QQJDSVWRQXAWEY-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 UWLU53024