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1-HYDROXY-3-[METHYL-(3-TOLYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID BjQPEpAL0NP
InChI InChI=1S/C14H25NO7P2/c1-12-5-3-6-13(11-12)7-4-9-15(2)10-8-14(16,23(17,18)19)24(20,21)22/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19)(H2,20,21,22)
InChIKey WEAFQLQAMWWHPC-UHFFFAOYSA-N
Mol Weight 381.3 g/mol
Molecular Formula C14H25NO7P2
Exact Mass 381.110626 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du8PPwiwkau
Name 1-HYDROXY-3-[METHYL-(3-TOLYLPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO7P2
InChI InChI=1S/C14H25NO7P2/c1-12-5-3-6-13(11-12)7-4-9-15(2)10-8-14(16,23(17,18)19)24(20,21)22/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19)(H2,20,21,22)
InChIKey WEAFQLQAMWWHPC-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 UWLU53029