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B-Isoxazolin-5-on-2-yl-alanine

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B-Isoxazolin-5-on-2-yl-alanine
SpectraBase Compound ID HXibSiJxJfV
InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)
InChIKey BDHFFHBFJUZSBF-UHFFFAOYSA-N
Mol Weight 172.14 g/mol
Molecular Formula C6H8N2O4
Exact Mass 172.048407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GV5d2ZkWMFD
Name B-Isoxazolin-5-on-2-yl-alanine
Comments J VALUES MEASURED IN CF3COOD
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H8N2O4
InChI InChI=1S/C6H8N2O4/c7-4(6(10)11)3-8-2-1-5(9)12-8/h1-2,4H,3,7H2,(H,10,11)
InChIKey BDHFFHBFJUZSBF-UHFFFAOYSA-N
Instrument Name Bruker WM-360
Literature Reference A. De Bruyn, G. Verhegge, F. Lambein, Magn. Res. Chem. 29, 641 (1991).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O