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N-4-TOLUENESULFONYL-N-2-CHLOROBENZYL-L-ALANINE

View entire compound with spectra: 1 NMR

N-4-TOLUENESULFONYL-N-2-CHLOROBENZYL-L-ALANINE
SpectraBase Compound ID A04FU1H92uv
InChI InChI=1S/C17H18ClNO4S/c1-12-7-9-15(10-8-12)24(22,23)19(13(2)17(20)21)11-14-5-3-4-6-16(14)18/h3-10,13H,11H2,1-2H3,(H,20,21)
InChIKey TXKFGBYOKZBCOD-UHFFFAOYSA-N
Mol Weight 367.85 g/mol
Molecular Formula C17H18ClNO4S
Exact Mass 367.064507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bzn7QMYgOhD
Name N-4-TOLUENESULFONYL-N-2-CHLOROBENZYL-L-ALANINE
Compound Number A13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18ClNO4S
InChI InChI=1S/C17H18ClNO4S/c1-12-7-9-15(10-8-12)24(22,23)19(13(2)17(20)21)11-14-5-3-4-6-16(14)18/h3-10,13H,11H2,1-2H3,(H,20,21)
InChIKey TXKFGBYOKZBCOD-UHFFFAOYSA-N
Literature Reference Author A.SCOZZAFAVA,C.T.SUPURAN
Literature Reference Citation BIOORG.MED.CHEM.,8,637(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00316-8
Molecular Weight 367.847 g/mol
Solvent DMSO-D6
Source File Reference UWVN20146