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N-(2-Mercapto-ethyl)-glycocyamine cation

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N-(2-Mercapto-ethyl)-glycocyamine cation
SpectraBase Compound ID BgMDD57Yvs7
InChI InChI=1S/C5H11N3O2S/c6-5(7)8(1-2-11)3-4(9)10/h1-3H2,(H5,6,7,9,10,11)/p+1
InChIKey IULDSBLKXZEYTR-UHFFFAOYSA-O
Mol Weight 178.23 g/mol
Molecular Formula C5H12N3O2S
Exact Mass 178.065023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3D560pDaGo
Name N-(2-Mercapto-ethyl)-glycocyamine cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H12N3O2S
InChI InChI=1S/C5H11N3O2S/c6-5(7)8(1-2-11)3-4(9)10/h1-3H2,(H5,6,7,9,10,11)/p+1
InChIKey IULDSBLKXZEYTR-UHFFFAOYSA-O
Instrument Name Varian XL-100
Literature Reference R.F. Dietrich, M.A. Marletta, G.L.Kenyon, Org. Magn. Resonance 13, 79 (1980).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O