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1-HYDROXY-3-[METHYL-(6-PHENOXYHEXYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID EdzSgLIKJyi
InChI InChI=1S/C16H29NO8P2/c1-17(13-11-16(18,26(19,20)21)27(22,23)24)12-7-2-3-8-14-25-15-9-5-4-6-10-15/h4-6,9-10,18H,2-3,7-8,11-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey WGDVOLIGUAONLT-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

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SpectraBase Spectrum ID 8ehn7AsBDec
Name 1-HYDROXY-3-[METHYL-(6-PHENOXYHEXYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO8P2
InChI InChI=1S/C16H29NO8P2/c1-17(13-11-16(18,26(19,20)21)27(22,23)24)12-7-2-3-8-14-25-15-9-5-4-6-10-15/h4-6,9-10,18H,2-3,7-8,11-14H2,1H3,(H2,19,20,21)(H2,22,23,24)
InChIKey WGDVOLIGUAONLT-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 UWLU53047