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

*Links on SpectraBase are not permalinks.
1-HYDROXY-3-[3-(4-CHLOROPHENYL)-PYRROLIDINE-1-YL]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 4dAsTCBfDAt
InChI InChI=1S/C13H20ClNO7P2/c14-12-3-1-10(2-4-12)11-5-7-15(9-11)8-6-13(16,23(17,18)19)24(20,21)22/h1-4,11,16H,5-9H2,(H2,17,18,19)(H2,20,21,22)
InChIKey YJZXVQNXCJIWNN-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C13H20ClNO7P2
Exact Mass 399.040354 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 ICIvR5SVmOu
Name 1-HYDROXY-3-[3-(4-CHLOROPHENYL)-PYRROLIDINE-1-YL]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16ClNO7P2
InChI InChI=1S/C13H20ClNO7P2/c14-12-3-1-10(2-4-12)11-5-7-15(9-11)8-6-13(16,23(17,18)19)24(20,21)22/h1-4,11,16H,5-9H2,(H2,17,18,19)(H2,20,21,22)
InChIKey YJZXVQNXCJIWNN-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 UWLU53011