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1,4,7-TRIAZACYCLONONANE-N,N',N''-TRIS-(METHYLENEMETHYLPHOSPHINIC-ACID)-HYDROCHLORIDE

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1,4,7-TRIAZACYCLONONANE-N,N',N''-TRIS-(METHYLENEMETHYLPHOSPHINIC-ACID)-HYDROCHLORIDE
SpectraBase Compound ID 9iUTJb7XDW0
InChI InChI=1S/C12H30N3O6P3.ClH/c1-22(16,17)10-13-4-6-14(11-23(2,18)19)8-9-15(7-5-13)12-24(3,20)21;/h4-12H2,1-3H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey SYRVMRKUEXHCOI-UHFFFAOYSA-N
Mol Weight 441.77 g/mol
Molecular Formula C12H31ClN3O6P3
Exact Mass 441.111424 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XopO89woIQ
Name 1,4,7-TRIAZACYCLONONANE-N,N',N''-TRIS-(METHYLENEMETHYLPHOSPHINIC-ACID)-HYDROCHLORIDE
Compound Number NOTMP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H28ClN3O6P3
InChI InChI=1S/C12H30N3O6P3.ClH/c1-22(16,17)10-13-4-6-14(11-23(2,18)19)8-9-15(7-5-13)12-24(3,20)21;/h4-12H2,1-3H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey SYRVMRKUEXHCOI-UHFFFAOYSA-N
Literature Reference Author J.HUSKENS,A.D.SHERRY
Literature Reference Citation J.AM.CHEM.SOC.,118,4396(1996)
Literature Reference DOI 10.1021/ja953771p
Solvent PH=7.4
Source File Reference UWLU55764