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3-(p-chlorobenzyl)-4-oxo-2-thioxo-5-thiazolidineacetic acid, methyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

3-(p-chlorobenzyl)-4-oxo-2-thioxo-5-thiazolidineacetic acid, methyl ester
SpectraBase Compound ID 6q07PjT2FR9
InChI InChI=1S/C13H12ClNO3S2/c1-18-11(16)6-10-12(17)15(13(19)20-10)7-8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey BGGPDXXPVGKWEU-UHFFFAOYSA-N
Mol Weight 329.82 g/mol
Molecular Formula C13H12ClNO3S2
Exact Mass 328.994713 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jr08OYJJg6L
Name 3-(p-CHLOROBENZYL)-4-OXO-2-THIOXO-5-THIAZOLIDINEACETIC ACID, METHYL ESTER
Source of Sample W. Hanefeld, University of Hamburg, Hamburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO3S2
InChI InChI=1S/C13H12ClNO3S2/c1-18-11(16)6-10-12(17)15(13(19)20-10)7-8-2-4-9(14)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey BGGPDXXPVGKWEU-UHFFFAOYSA-N
Melting Point 69-70C
Molecular Weight 329.83
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 5-THIAZOLIDINEACETIC ACID, 3-/P-CHLOROBENZYL/-4-OXO-2-THIOXO-, METHYL ESTER