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3-(3-Hydroxy-1-((methylthio)methyl)propylidene)-2,5-piperazinedione
SpectraBase Compound ID iGlPxj6ouC
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-VURMDHGXSA-N
Mol Weight 230.28 g/mol
Molecular Formula C9H14N2O3S
Exact Mass 230.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33p3faydzU
Name 3-(3-Hydroxy-1-((methylthio)methyl)propylidene)-2,5-piperazinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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-VURMDHGXSA-N
Molecular Weight 230.282 g/mol
SMILES N1C(CNC(\C1=C\(CCO)CSC)=O)=O
SPLASH splash10-001i-0950000000-0eb50c41a423a860d246
Source of Spectrum J-57-3671-36
Synonyms (3Z)-3-{3-hydroxy-1-[(methylsulfanyl)methyl]propylidene}-2,5-piperazinedione
Wiley ID 1231228