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1-HYDROXY-3-[METHYL-(6-PHENYLHEXYL)-AMINO]-PROPYLIDENEBISPHOSPHONIC-ACID
SpectraBase Compound ID 6FH9ZDDQ5kY
InChI InChI=1S/C16H29NO7P2/c1-17(14-12-16(18,25(19,20)21)26(22,23)24)13-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey BSYXOKUSJJYWAB-UHFFFAOYSA-N
Mol Weight 409.36 g/mol
Molecular Formula C16H29NO7P2
Exact Mass 409.141926 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3kTj1J0idW
Name 1-HYDROXY-3-[METHYL-(6-PHENYLHEXYL)-AMINO]-PROPYLIDENEBISPHOSPHONIC-ACID
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO7P2
InChI InChI=1S/C16H29NO7P2/c1-17(14-12-16(18,25(19,20)21)26(22,23)24)13-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey BSYXOKUSJJYWAB-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 UWLU53083