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cis-3,6-di(acetylthio)-1-benzyl-4-methylpiperazine-2,5-dione
SpectraBase Compound ID 5WhFYHccpsG
InChI InChI=1S/C16H18N2O4S2/c1-10(19)23-15-14(22)18(9-12-7-5-4-6-8-12)16(24-11(2)20)13(21)17(15)3/h4-8,15-16H,9H2,1-3H3/t15-,16-/m0/s1
InChIKey KDXRPYPSVSLPFF-HOTGVXAUSA-N
Mol Weight 366.45 g/mol
Molecular Formula C16H18N2O4S2
Exact Mass 366.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIxwIOU7LK3
Name cis-3,6-di(acetylthio)-1-benzyl-4-methylpiperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4S2
InChI InChI=1S/C16H18N2O4S2/c1-10(19)23-15-14(22)18(9-12-7-5-4-6-8-12)16(24-11(2)20)13(21)17(15)3/h4-8,15-16H,9H2,1-3H3/t15-,16-/m0/s1
InChIKey KDXRPYPSVSLPFF-HOTGVXAUSA-N
Molecular Weight 366.450 g/mol
SMILES [C@@]1(N(C([C@@](N(C1=O)C)(SC(=O)C)[H])=O)Cc1ccccc1)(SC(=O)C)[H]
SPLASH splash10-0006-9000000000-13f1ba8b2807853ce843
Source of Spectrum B-46-1743-0
Synonyms S-[(2S,5S)-5-(acetylsulfanyl)-1-benzyl-4-methyl-3,6-dioxopiperazinyl]ethanethioate
Wiley ID 1351704