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1-HYDROXY-3-[(1-METHYL-3-PHENYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 66DZ4nQvU0m
InChI InChI=1S/C13H23NO7P2/c1-11(7-8-12-5-3-2-4-6-12)14-10-9-13(15,22(16,17)18)23(19,20)21/h2-6,11,14-15H,7-10H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey IJTUQKRLPXHURD-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 9c4L2TkUI56
Name 1-HYDROXY-3-[(1-METHYL-3-PHENYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO7P2
InChI InChI=1S/C13H23NO7P2/c1-11(7-8-12-5-3-2-4-6-12)14-10-9-13(15,22(16,17)18)23(19,20)21/h2-6,11,14-15H,7-10H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey IJTUQKRLPXHURD-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 UWLU53031