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L-3-[(2-CYANOETHYL)THIO]ALANINE

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L-3-[(2-CYANOETHYL)THIO]ALANINE
SpectraBase Compound ID 3ub4RdTTwjT
InChI InChI=1S/C6H10N2O2S/c7-2-1-3-11-4-5(8)6(9)10/h5H,1,3-4,8H2,(H,9,10)
InChIKey AIFKTVSJRSBYCY-UHFFFAOYSA-N
Mol Weight 174.22 g/mol
Molecular Formula C6H10N2O2S
Exact Mass 174.046299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHMGWqQzoiU
Name S-(2-Cyanoethyl)-L-cysteine
Comments HFX-90E OR XL-100-12, D2O/HCL, PH = 1.0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H10N2O2S
InChI InChI=1S/C6H10N2O2S/c7-2-1-3-11-4-5(8)6(9)10/h5H,1,3-4,8H2,(H,9,10)
InChIKey AIFKTVSJRSBYCY-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