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

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3-(3-Acetoxy-1-((methylthio)methyl)propylidene)-2,5-piperazinedione
SpectraBase Compound ID 9thjkqyaRuq
InChI InChI=1S/C11H16N2O4S/c1-7(14)17-4-3-8(6-18-2)10-11(16)12-5-9(15)13-10/h3-6H2,1-2H3,(H,12,16)(H,13,15)/b10-8+
InChIKey KOOIYJJODSSWJP-CSKARUKUSA-N
Mol Weight 272.32 g/mol
Molecular Formula C11H16N2O4S
Exact Mass 272.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I08v1sMVBhY
Name 3-(3-ACETOXY-1-[(METHYLTHIO)-METHYL]-PROPYLIDENE)-2,5-PIPERAZINEDIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N2O4S
InChI InChI=1S/C11H16N2O4S/c1-7(14)17-4-3-8(6-18-2)10-11(16)12-5-9(15)13-10/h3-6H2,1-2H3,(H,12,16)(H,13,15)/b10-8+
InChIKey KOOIYJJODSSWJP-CSKARUKUSA-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 272.319 g/mol
Solvent CDCl3
Source File Reference UWCS385