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

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1,4,7-TRIAZACYCLONONANE-N-(METHYLENEMETHYLPHOSPHINIC-ACID)-N',N''-BIS-(ACETIC-ACID)-HYDROCHLORIDE
SpectraBase Compound ID II93DeypDmb
InChI InChI=1S/C12H24N3O6P.ClH/c1-22(20,21)10-15-6-4-13(8-11(16)17)2-3-14(5-7-15)9-12(18)19;/h2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey FLCQSYJHFKAAOZ-UHFFFAOYSA-N
Mol Weight 373.77 g/mol
Molecular Formula C12H25ClN3O6P
Exact Mass 373.11695 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0CPocDLUKS
Name 1,4,7-TRIAZACYCLONONANE-N-(METHYLENEMETHYLPHOSPHINIC-ACID)-N',N''-BIS-(ACETIC-ACID)-HYDROCHLORIDE
Compound Number NO2A-MP
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24ClN3O6P
InChI InChI=1S/C12H24N3O6P.ClH/c1-22(20,21)10-15-6-4-13(8-11(16)17)2-3-14(5-7-15)9-12(18)19;/h2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21);1H
InChIKey FLCQSYJHFKAAOZ-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 UWLU55760