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cis-3,6-di(acetylthio)-1,4-dibenzylpiperazine-2,5-dione
SpectraBase Compound ID H9XAdKtTumf
InChI InChI=1S/C22H22N2O4S2/c1-15(25)29-21-19(27)24(14-18-11-7-4-8-12-18)22(30-16(2)26)20(28)23(21)13-17-9-5-3-6-10-17/h3-12,21-22H,13-14H2,1-2H3/t21-,22-/m0/s1
InChIKey WPNRVPXGSVFRSF-VXKWHMMOSA-N
Mol Weight 442.55 g/mol
Molecular Formula C22H22N2O4S2
Exact Mass 442.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INOkI5FlS6g
Name cis-3,6-di(acetylthio)-1,4-dibenzylpiperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S2
InChI InChI=1S/C22H22N2O4S2/c1-15(25)29-21-19(27)24(14-18-11-7-4-8-12-18)22(30-16(2)26)20(28)23(21)13-17-9-5-3-6-10-17/h3-12,21-22H,13-14H2,1-2H3/t21-,22-/m0/s1
InChIKey WPNRVPXGSVFRSF-VXKWHMMOSA-N
Molecular Weight 442.548 g/mol
SMILES [C@@]1(N(C([C@@](N(C1=O)Cc1ccccc1)(SC(=O)C)[H])=O)Cc1ccccc1)(SC(=O)C)[H]
SPLASH splash10-0006-9000000000-209270b9e9c190316dca
Source of Spectrum B-46-1743-0
Synonyms S-[(2S,5S)-5-(acetylsulfanyl)-1,4-dibenzyl-3,6-dioxopiperazinyl]ethanethioate
Wiley ID 1385246