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S-(2-Cyano-ethyl)-glutathione

View entire compound with spectra: 1 NMR

S-(2-Cyano-ethyl)-glutathione
SpectraBase Compound ID 1zxliREIozj
InChI InChI=1S/C13H20N4O6S/c14-4-1-5-24-7-9(12(21)16-6-11(19)20)17-10(18)3-2-8(15)13(22)23/h8-9H,1-3,5-7,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)
InChIKey DQQHXSWTCPRPFF-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C13H20N4O6S
Exact Mass 360.110356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsI7w8HLrYz
Name S-(2-Cyano-ethyl)-glutathione
Comments HFX-90E OR XL-100-12, D2O, PH = 4.1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20N4O6S
InChI InChI=1S/C13H20N4O6S/c14-4-1-5-24-7-9(12(21)16-6-11(19)20)17-10(18)3-2-8(15)13(22)23/h8-9H,1-3,5-7,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)
InChIKey DQQHXSWTCPRPFF-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference I.J. Climie, D.A. Evans, Tetrahedron 38, 697 (1982).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O