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3-(3-Hydroxy-1-((methylthio)methyl)propylidene)-2,5-piperazinedione

View entire compound with spectra: 1 NMR

3-(3-Hydroxy-1-((methylthio)methyl)propylidene)-2,5-piperazinedione
SpectraBase Compound ID 6OlgEmIYYpK
InChI InChI=1S/C9H14N2O3S/c1-15-5-6(2-3-12)8-9(14)10-4-7(13)11-8/h12H,2-5H2,1H3,(H,10,14)(H,11,13)/b8-6+
InChIKey UYNLMXAIKOPOJA-SOFGYWHQSA-N
Mol Weight 230.28 g/mol
Molecular Formula C9H14N2O3S
Exact Mass 230.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxUESYpnHwa
Name 3-(3-HYDROXY-1-[(METHYLTHIO)-METHYL]-PROPYLIDENE)-2,5-PIPERAZINEDIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14N2O3S
InChI InChI=1S/C9H14N2O3S/c1-15-5-6(2-3-12)8-9(14)10-4-7(13)11-8/h12H,2-5H2,1H3,(H,10,14)(H,11,13)/b8-6+
InChIKey UYNLMXAIKOPOJA-SOFGYWHQSA-N
Literature Reference Author Y.S.OH,H.KOHN
Literature Reference Citation J.ORG.CHEM.,57,3662(1992)
Literature Reference DOI 10.1021/jo00039a028
Molecular Weight 230.282 g/mol
Solvent ACETONE-D6
Source File Reference UWCS384