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dl-2-Imino-4-oxo-5-thiazolidineacetic acid
SpectraBase Compound ID 8nXdmng6osG
InChI InChI=1S/C5H6N2O3S/c6-5-7-4(10)2(11-5)1-3(8)9/h2H,1H2,(H,8,9)(H2,6,7,10)
InChIKey IFUXBSJTQXUMSX-UHFFFAOYSA-N
Mol Weight 174.17 g/mol
Molecular Formula C5H6N2O3S
Exact Mass 174.009913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77mNGQcrBe9
Name dl-2-Imino-4-oxo-5-thiazolidineacetic acid
Comments Computed using HOSE algorithm
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Exact Mass 174.009913232 u
Formula C5H6N2O3S
InChI InChI=1S/C5H6N2O3S/c6-5-7-4(10)2(11-5)1-3(8)9/h2H,1H2,(H,8,9)(H2,6,7,10)
InChIKey IFUXBSJTQXUMSX-UHFFFAOYSA-N
SMILES N1C(SC(CC(O)=O)C1=O)=N