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N-(1-CARBOXYLATO-2-HYDROXYETHYL)-ASPARTATE;DIASTEREOMER-#1
SpectraBase Compound ID 2ccED9BS9mO
InChI InChI=1S/C7H11NO7.3Na/c9-2-4(7(14)15)8-3(6(12)13)1-5(10)11;;;/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3
InChIKey KWRYTBDJGHVEKL-UHFFFAOYSA-K
Mol Weight 287.11030785 g/mol
Molecular Formula C7H8NNa3O7
Exact Mass 286.999384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BGKgb4FYrz
Name N-(1-CARBOXYLATO-2-HYDROXYETHYL)-ASPARTATE;DIASTEREOMER-#2
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8NNa3O7
InChI InChI=1S/C7H11NO7.3Na/c9-2-4(7(14)15)8-3(6(12)13)1-5(10)11;;;/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3
InChIKey KWRYTBDJGHVEKL-UHFFFAOYSA-K
Literature Reference Author J.VANWESTRENEN,J.VANHAVEREN,F.J.ALBLAS,M.A.HOEFNAGEL,J.A.PET ERS,H.VANBEKKUM
Literature Reference Citation REC.TR.CH.P.-B.,109,474(1990)
Literature Reference DOI 10.1002/recl.19901090905
Molecular Weight 287.112 g/mol
Solvent D2O,PD=5.5
Source File Reference UWTS2613