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1-HYDROXY-3-(AZEPAN-1-YL)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 79xjwGUKcoo
InChI InChI=1S/C9H21NO7P2/c11-9(18(12,13)14,19(15,16)17)5-8-10-6-3-1-2-4-7-10/h11H,1-8H2,(H2,12,13,14)(H2,15,16,17)
InChIKey XPYMEVQMPWCDPH-UHFFFAOYSA-N
Mol Weight 317.21 g/mol
Molecular Formula C9H21NO7P2
Exact Mass 317.079326 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvpQwpLSLVO
Name 1-HYDROXY-3-(AZEPAN-1-YL)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 2K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H17NO7P2
InChI InChI=1S/C9H21NO7P2/c11-9(18(12,13)14,19(15,16)17)5-8-10-6-3-1-2-4-7-10/h11H,1-8H2,(H2,12,13,14)(H2,15,16,17)
InChIKey XPYMEVQMPWCDPH-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 UWLU53017