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N-(CARBOXYLATOMETHYL)-ASPARTATE

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N-(CARBOXYLATOMETHYL)-ASPARTATE
SpectraBase Compound ID JvAcN7hYlpw
InChI InChI=1S/C6H9NO6.3Na/c8-4(9)1-3(6(12)13)7-2-5(10)11;;;/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey IHMYSXYFLVEODY-UHFFFAOYSA-K
Mol Weight 257.08430785 g/mol
Molecular Formula C6H6NNa3O6
Exact Mass 256.98882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjfR00Lnd7r
Name N-(CARBOXYLATOMETHYL)-ASPARTATE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6NNa3O6
InChI InChI=1S/C6H9NO6.3Na/c8-4(9)1-3(6(12)13)7-2-5(10)11;;;/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3
InChIKey IHMYSXYFLVEODY-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 257.086 g/mol
Solvent D2O,PD=7.4
Source File Reference UWTS2611