For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-HYDROXY-3-[(3-(4-CHLOROPHENYL)-PROPYL)-METHYLAMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID FincMWi7TRE
InChI InChI=1S/C13H22ClNO7P2/c1-15(9-2-3-11-4-6-12(14)7-5-11)10-8-13(16,23(17,18)19)24(20,21)22/h4-7,16H,2-3,8-10H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey SWSUALNPDWCMMY-UHFFFAOYSA-N
Mol Weight 401.72 g/mol
Molecular Formula C13H22ClNO7P2
Exact Mass 401.056004 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GOOfuYVrHJw
Name 1-HYDROXY-3-[(3-(4-CHLOROPHENYL)-PROPYL)-METHYLAMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18ClNO7P2
InChI InChI=1S/C13H22ClNO7P2/c1-15(9-2-3-11-4-6-12(14)7-5-11)10-8-13(16,23(17,18)19)24(20,21)22/h4-7,16H,2-3,8-10H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey SWSUALNPDWCMMY-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 UWLU53030