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2-Amino-4-chloro-5-(4-tolyl-sulfinyl)-pentanoic acid

View entire compound with spectra: 1 NMR

2-Amino-4-chloro-5-(4-tolyl-sulfinyl)-pentanoic acid
SpectraBase Compound ID CiRYx91ZctS
InChI InChI=1S/C12H16ClNO3S/c1-8-2-4-10(5-3-8)18(17)7-9(13)6-11(14)12(15)16/h2-5,9,11H,6-7,14H2,1H3,(H,15,16)
InChIKey YQHLTKBEZLMKJX-UHFFFAOYSA-N
Mol Weight 289.78 g/mol
Molecular Formula C12H16ClNO3S
Exact Mass 289.053942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KJYV5iwxod
Name 2-Amino-4-chloro-5-(4-tolyl-sulfinyl)-pentanoic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16ClNO3S
InChI InChI=1S/C12H16ClNO3S/c1-8-2-4-10(5-3-8)18(17)7-9(13)6-11(14)12(15)16/h2-5,9,11H,6-7,14H2,1H3,(H,15,16)
InChIKey YQHLTKBEZLMKJX-UHFFFAOYSA-N
Literature Reference M. Johnston, R. Raines, C. Walsh, J. Am. Chem. Soc. 102, 4241 (1980).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O