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

*Links on SpectraBase are not permalinks.
1-HYDROXY-3-[BUTYL-(3-PHENOXYPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID Kid8OYwOk1r
InChI InChI=1S/C16H29NO8P2/c1-2-3-11-17(12-7-14-25-15-8-5-4-6-9-15)13-10-16(18,26(19,20)21)27(22,23)24/h4-6,8-9,18H,2-3,7,10-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey TVNFJIFNBOSWEF-UHFFFAOYSA-N
Mol Weight 425.35 g/mol
Molecular Formula C16H29NO8P2
Exact Mass 425.136841 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 5ubBceix9v0
Name 1-HYDROXY-3-[BUTYL-(3-PHENOXYPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO8P2
InChI InChI=1S/C16H29NO8P2/c1-2-3-11-17(12-7-14-25-15-8-5-4-6-9-15)13-10-16(18,26(19,20)21)27(22,23)24/h4-6,8-9,18H,2-3,7,10-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey TVNFJIFNBOSWEF-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 UWLU53045