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

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1,4,7-TRIAZACYCLONONANE-N,N'-BIS-(METHYLENEMETHYLPHOSPHINIC-ACID)-N''-(ACETIC-ACID)-HYDROCHLORIDE
SpectraBase Compound ID FbvgT8oFpNC
InChI InChI=1S/C12H27N3O6P2.ClH/c1-22(18,19)10-14-5-3-13(9-12(16)17)4-6-15(8-7-14)11-23(2,20)21;/h3-11H2,1-2H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey YFUNYOGLWBAMHV-UHFFFAOYSA-N
Mol Weight 407.77 g/mol
Molecular Formula C12H28ClN3O6P2
Exact Mass 407.114187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqbXug96ntn
Name 1,4,7-TRIAZACYCLONONANE-N,N'-BIS-(METHYLENEMETHYLPHOSPHINIC-ACID)-N''-(ACETIC-ACID)-HYDROCHLORIDE
Compound Number NO1A-2MP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H26ClN3O6P2
InChI InChI=1S/C12H27N3O6P2.ClH/c1-22(18,19)10-14-5-3-13(9-12(16)17)4-6-15(8-7-14)11-23(2,20)21;/h3-11H2,1-2H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey YFUNYOGLWBAMHV-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
Molecular Weight 405.755 g/mol
Sample ID 55762
Solvent PH=7.4