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1-HYDROXY-3-[4-(3-FLUOROPHENYL)-PIPERIDINE-1-YL]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID LIFLr4aswYC
InChI InChI=1S/C14H22FNO7P2/c15-13-3-1-2-12(10-13)11-4-7-16(8-5-11)9-6-14(17,24(18,19)20)25(21,22)23/h1-3,10-11,17H,4-9H2,(H2,18,19,20)(H2,21,22,23)
InChIKey GCMIXSKZNBFWMK-UHFFFAOYSA-N
Mol Weight 397.28 g/mol
Molecular Formula C14H22FNO7P2
Exact Mass 397.085554 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMF8vwMhq7i
Name 1-HYDROXY-3-[4-(3-FLUOROPHENYL)-PIPERIDINE-1-YL]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 2J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18FNO7P2
InChI InChI=1S/C14H22FNO7P2/c15-13-3-1-2-12(10-13)11-4-7-16(8-5-11)9-6-14(17,24(18,19)20)25(21,22)23/h1-3,10-11,17H,4-9H2,(H2,18,19,20)(H2,21,22,23)
InChIKey GCMIXSKZNBFWMK-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 UWLU53016