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1-HYDROXY-3-[METHYL-(3-PHENOXYPROPYL)-AMINO]-BUTYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 3CJ3GqytxJs
InChI InChI=1S/C14H25NO8P2/c1-15(11-6-12-23-13-7-3-2-4-8-13)10-5-9-14(16,24(17,18)19)25(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey NLEBYIQAXOLPMG-UHFFFAOYSA-N
Mol Weight 397.3 g/mol
Molecular Formula C14H25NO8P2
Exact Mass 397.105541 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHrOv9hxeFF
Name 1-HYDROXY-3-[METHYL-(3-PHENOXYPROPYL)-AMINO]-BUTYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO8P2
InChI InChI=1S/C14H25NO8P2/c1-15(11-6-12-23-13-7-3-2-4-8-13)10-5-9-14(16,24(17,18)19)25(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey NLEBYIQAXOLPMG-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 UWLU53086