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3-(5(S)-Carboxy-2-oxo-tetrahydrofuran-5(S)-yl)-2(S)-alanine
SpectraBase Compound ID 3JwnwKzPxgI
InChI InChI=1S/C8H11NO6/c9-4(6(11)12)3-8(7(13)14)2-1-5(10)15-8/h4H,1-3,9H2,(H,11,12)(H,13,14)
InChIKey ZQVZYZVRVFBTDG-UHFFFAOYSA-N
Mol Weight 217.18 g/mol
Molecular Formula C8H11NO6
Exact Mass 217.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gl9m8r3P6vX
Name 3-(5(S)-Carboxy-2-oxo-tetrahydrofuran-5(S)-yl)-2(S)-alanine
CAS Registry Number 69086-72-2
Comments D2O + TFA 12%
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11NO6
InChI InChI=1S/C8H11NO6/c9-4(6(11)12)3-8(7(13)14)2-1-5(10)15-8/h4H,1-3,9H2,(H,11,12)(H,13,14)
InChIKey ZQVZYZVRVFBTDG-UHFFFAOYSA-N
Literature Reference N. Rhugenda-Banga, A. Welter, Phytochem. 18, 482 (1979).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH