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3-(3-chlorobenzyl)-4-hydroxy-2-thioxo-thiazolidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID DZbC42Pqjkm
InChI InChI=1S/C13H14ClNO3S2/c1-2-18-11(16)13(17)8-20-12(19)15(13)7-9-4-3-5-10(14)6-9/h3-6,17H,2,7-8H2,1H3
InChIKey PKFZWULBUAYOOQ-UHFFFAOYSA-N
Mol Weight 331.83 g/mol
Molecular Formula C13H14ClNO3S2
Exact Mass 331.010363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKhclnJmf03
Name 3-(3-chlorobenzyl)-4-hydroxy-2-thioxo-thiazolidine-4-carboxylic acid ethyl ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14ClNO3S2
InChI InChI=1S/C13H14ClNO3S2/c1-2-18-11(16)13(17)8-20-12(19)15(13)7-9-4-3-5-10(14)6-9/h3-6,17H,2,7-8H2,1H3
InChIKey PKFZWULBUAYOOQ-UHFFFAOYSA-N
Literature Reference Author Q.LI,C.YANG,Z.M.GE,R.LI,Y.CUI
Literature Reference Citation MAGN.RES.CHEM.,44,720(2006)
Literature Reference DOI 10.1002/mrc.1808
Molecular Weight 331.832 g/mol
Sample ID 40818
Solvent CDCl3