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3-butyl-4-oxo-2-thioxo-5-thiazolidineacetic acid

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

3-butyl-4-oxo-2-thioxo-5-thiazolidineacetic acid
SpectraBase Compound ID 3o8ww3mWUOt
InChI InChI=1S/C9H13NO3S2/c1-2-3-4-10-8(13)6(5-7(11)12)15-9(10)14/h6H,2-5H2,1H3,(H,11,12)
InChIKey AELDIHAMSOGDDN-UHFFFAOYSA-N
Mol Weight 247.33 g/mol
Molecular Formula C9H13NO3S2
Exact Mass 247.033686 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LkGwdMymSr3
Name 3-BUTYL-4-OXO-2-THIOXO-5-THIAZOLIDINEACETIC ACID
Source of Sample W. Hanefeld, University of Hamburg, Hamburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO3S2
InChI InChI=1S/C9H13NO3S2/c1-2-3-4-10-8(13)6(5-7(11)12)15-9(10)14/h6H,2-5H2,1H3,(H,11,12)
InChIKey AELDIHAMSOGDDN-UHFFFAOYSA-N
Melting Point 111-113C
Molecular Weight 247.34
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 5-THIAZOLIDINEACETIC ACID, 3-BUTYL- 4-OXO-2-THIOXO-,