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2-HYDROXYETHANAMINIUM-HYDROGEN-[1-HYDROXY-3-(4-METHYLBENZYL)-2,5-DIOXOPYRROLIDIN-3-YL]-PHOSPHONATE
SpectraBase Compound ID 6k29qXHq9J3
InChI InChI=1S/C12H14NO6P.C2H7NO/c1-8-2-4-9(5-3-8)6-12(20(17,18)19)7-10(14)13(16)11(12)15;3-1-2-4/h2-5,16H,6-7H2,1H3,(H2,17,18,19);4H,1-3H2
InChIKey HWQAKSAPBGBTLO-UHFFFAOYSA-N
Mol Weight 360.3 g/mol
Molecular Formula C14H21N2O7P
Exact Mass 360.108638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GolvWc5Iw1
Name 2-HYDROXYETHANAMINIUM-HYDROGEN-[1-HYDROXY-3-(4-METHYLBENZYL)-2,5-DIOXOPYRROLIDIN-3-YL]-PHOSPHONATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N2O7P
InChI InChI=1S/C12H14NO6P.C2H7NO/c1-8-2-4-9(5-3-8)6-12(20(17,18)19)7-10(14)13(16)11(12)15;3-1-2-4/h2-5,16H,6-7H2,1H3,(H2,17,18,19);4H,1-3H2
InChIKey HWQAKSAPBGBTLO-UHFFFAOYSA-N
Literature Reference Author W.OWOTOKI,D.GEFFKEN,T.KURZ
Literature Reference Citation AUSTR.J.CHEM.,59,283(2006)
Literature Reference DOI 10.1071/CH06058
Molecular Weight 358.288 g/mol
Sample ID 37870
Solvent D2O