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1-HYDROXY-3-[(4-PHENYLBUTYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID KyfnOh2HbGt
InChI InChI=1S/C13H23NO7P2/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21)
InChIKey JDIWTTKIIXYWHP-UHFFFAOYSA-N
Mol Weight 367.27 g/mol
Molecular Formula C13H23NO7P2
Exact Mass 367.094976 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I224mRITOxv
Name 1-HYDROXY-3-[(4-PHENYLBUTYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO7P2
InChI InChI=1S/C13H23NO7P2/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21)
InChIKey JDIWTTKIIXYWHP-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 UWLU53032